| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.6 | Very low | 64 | Low | 189 Ų | 189 | 96.7 Ų | 96.7 | 93% | 0.931 | 51% | 0.505 | S | S | * | . | 0 | 174.6 | 0 | -60.9 | 179.7 | -176 | 0 | 0 | 109.7 | |||||
| 2 | K | 45.1 | Very low | 65.4 | Low | 189 Ų | 189 | 95.3 Ų | 95.3 | 82% | 0.822 | 50% | 0.498 | S | S | * | . | trans | -67.2 | 142 | 156.1 | -77.2 | -176.7 | 177.3 | 178.3 | 0 | 107.9 | ||||
| 3 | P | 53.3 | Low | 66.9 | Low | 85 Ų | 85 | 91.5 Ų | 91.5 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | trans | -60.9 | 138.7 | 172.1 | 26.7 | -33.6 | 0 | 0 | 0 | 109.6 | ||||
| 4 | I | 60.4 | Low | 68.1 | Low | 61 Ų | 61 | 85 Ų | 85 | 31% | 0.313 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.7 | -176.3 | -64.7 | 172.7 | 0 | 0 | 0 | 107.6 | I24 L25 L494 | I4-I24 HydrophobicContact CG2-CG2 3.53Å; I4-L25 HydrophobicContact CB-CD2 4.34Å; I4-L25 HydrophobicContact CD1-CD2 3.89Å; I4-L25 HydrophobicContact CG2-CD2 4.48Å; I4-L494 PolarHBondContact N-O 3.39Å; I4-L494 VanDerWaalsContact N-O 3.14Å; I4-L494 WeakPolarHBondContact O-CA 3.16Å; I4-L494 WeakPolarHBondContact O-CB 3.4Å; I4-L494 PolarHBondContact O-N 2.92Å |
| 5 | S | 61 | Low | 69.3 | Low | 97 Ų | 97 | 82.6 Ų | 82.6 | 68% | 0.678 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.6 | 178.5 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | I492 | S5-I492 WeakPolarHBondContact CA-O 3.22Å |
| 6 | F | 66.8 | Low | 70.4 | Confident | 32 Ų | 32 | 81.7 Ų | 81.7 | 14% | 0.14 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 130.2 | 174.6 | -177.8 | -93.5 | 0 | 0 | 0 | 109.3 | I8 A20 I21 I24 I492 L494 | F6-I8 HydrophobicContact CD1-CG1 3.73Å; F6-I8 HydrophobicContact CE1-CG1 4Å; F6-I8 PolarHBondContact O-N 2.62Å; F6-A20 HydrophobicContact CE2-CB 3.89Å; F6-A20 HydrophobicContact CZ-CB 4.02Å; F6-I21 HydrophobicContact CD1-CD1 4.22Å; F6-I21 HydrophobicContact CD1-CG1 3.87Å; F6-I21 HydrophobicContact CD2-CG1 4.48Å; F6-I21 HydrophobicContact CE1-CD1 3.97Å; F6-I21 HydrophobicContact CE1-CG1 3.65Å; F6-I21 HydrophobicContact CE2-CG1 4.28Å; F6-I21 HydrophobicContact CG-CG1 4.29Å; F6-I21 HydrophobicContact CZ-CG1 3.87Å; F6-I24 HydrophobicContact CD2-CD1 3.61Å; F6-I24 HydrophobicContact CE2-CD1 3.88Å; F6-I492 PolarHBondContact N-O 2.96Å; F6-I492 PolarHBondContact O-N 3.24Å; F6-I492 VanDerWaalsContact O-N 3.1Å; F6-L494 HydrophobicContact CB-CD1 3.39Å; F6-L494 HydrophobicContact CB-CD2 4.47Å; F6-L494 HydrophobicContact CB-CG 3.69Å; F6-L494 HydrophobicContact CD2-CD1 4.45Å; F6-L494 HydrophobicContact CG-CD1 3.92Å |
| 7 | T | 72.7 | Confident | 71.5 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 53% | 0.534 | 42% | 0.421 | S | S | . | . | trans | -87.3 | 95.5 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 109 | L9 | T7-L9 PolarHBondContact O-N 3.26Š| ||
| 8 | I | 74 | Confident | 72.2 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.056 | 40% | 0.4 | C | S | . | . | trans | -65.3 | 125.2 | 167.4 | -55 | -175.6 | 0 | 0 | 0 | 108.2 | F6 M10 L14 L58 I492 | F6-I8 HydrophobicContact CD1-CG1 3.73Å; F6-I8 HydrophobicContact CE1-CG1 4Å; F6-I8 PolarHBondContact O-N 2.62Å; I8-M10 PolarHBondContact O-N 3.19Å; I8-L14 HydrophobicContact CD1-CD2 4.17Å; I8-L14 HydrophobicContact CG2-CD2 3.66Å; I8-L58 HydrophobicContact CB-CD2 4.35Å; I8-L58 HydrophobicContact CD1-CD2 4.48Å; I8-L58 HydrophobicContact CG2-CB 4.37Å; I8-L58 HydrophobicContact CG2-CD2 4.06Å; I8-I492 HydrophobicContact CB-CD1 4.12Å; I8-I492 HydrophobicContact CD1-CD1 3.9Å; I8-I492 HydrophobicContact CD1-CG2 4.45Å; I8-I492 HydrophobicContact CG1-CD1 4.11Å | ||
| 9 | L | 78.4 | Confident | 73 | Confident | 97 Ų | 97 | 73.1 Ų | 73.1 | 51% | 0.508 | 40% | 0.399 | S | S | . | . | trans | -78.1 | 112.1 | 172.7 | -63.8 | 172.1 | 0 | 0 | 0 | 108 | T7 E11 L12 Q17 | T7-L9 PolarHBondContact O-N 3.26Å; L9-E11 PolarHBondContact O-N 3.23Å; L9-L12 HydrophobicContact CB-CB 4.38Å; L9-L12 HydrophobicContact CB-CD1 4.15Å; L9-L12 HydrophobicContact CB-CG 4.28Å; L9-L12 HydrophobicContact CD1-CD1 3.71Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-Q17 PolarHBondContact O-NE2 2.92Å | ||
| 10 | M | 79.4 | Confident | 73.5 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25 | -169.9 | -64.5 | -166.5 | 70.6 | 0 | 0 | 114.2 | I8 T57 L58 Q59 W62 | I8-M10 PolarHBondContact O-N 3.19Å; M10-T57 WeakPolarHBondContact O-CB 3.26Å; M10-L58 HydrophobicContact CE-CG 4.38Å; M10-Q59 HydrophobicContact CB-CB 4.25Å; M10-Q59 WeakPolarHBondContact O-CB 3.46Å; M10-Q59 PolarHBondContact O-N 2.99Å; M10-Q59 VanDerWaalsContact O-N 3.1Å; M10-W62 HydrophobicContact CE-CD2 4.02Å; M10-W62 HydrophobicContact CE-CE3 3.4Å; M10-W62 HydrophobicContact CE-CZ3 3.75Å |
| 11 | E | 76 | Confident | 73.9 | Confident | 154 Ų | 154 | 68.1 Ų | 68.1 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.1 | -179.5 | -57.7 | -76.2 | 133.5 | 0 | 0 | 113.7 | L9 | L9-E11 PolarHBondContact O-N 3.23Š|
| 12 | L | 81 | Confident | 76.1 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 41% | 0.414 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -114.1 | 141.6 | -177.8 | -66.6 | -176.6 | 0 | 0 | 0 | 112.1 | L9 L14 Q17 | L9-L12 HydrophobicContact CB-CB 4.38Å; L9-L12 HydrophobicContact CB-CD1 4.15Å; L9-L12 HydrophobicContact CB-CG 4.28Å; L9-L12 HydrophobicContact CD1-CD1 3.71Å; L9-L12 PolarHBondContact O-N 3.38Å; L12-L14 PolarHBondContact O-N 3.01Å; L12-Q17 PolarHBondContact O-NE2 2.9Å |
| 13 | P | 84.8 | Confident | 77.8 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -55.5 | 138 | 176.4 | -27.2 | 35.3 | 0 | 0 | 0 | 112.2 | S15 S16 S56 T57 | P13-S15 PolarHBondContact O-N 3.43Å; P13-S16 PolarHBondContact O-N 2.89Å; P13-S16 PolarHBondContact O-OG 2.83Å; P13-S56 WeakPolarHBondContact CA-O 3.46Å; P13-T57 HydrophobicContact CG-CG2 4.37Å |
| 14 | L | 84 | Confident | 79 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -29.4 | -177.2 | -73.6 | 174.3 | 0 | 0 | 0 | 112.3 | I8 L12 S16 Q17 L18 L36 L52 L54 S56 L58 | I8-L14 HydrophobicContact CD1-CD2 4.17Å; I8-L14 HydrophobicContact CG2-CD2 3.66Å; L12-L14 PolarHBondContact O-N 3.01Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.5Å; L14-Q17 CarbonylContact O-C 3.39Å; L14-Q17 PolarHBondContact O-N 3.1Å; L14-L18 PolarHBondContact O-N 2.86Å; L14-L36 HydrophobicContact CD2-CD1 4.46Å; L14-L52 HydrophobicContact CD1-CB 3.77Å; L14-L52 HydrophobicContact CD1-CD1 3.85Å; L14-L52 HydrophobicContact CD1-CG 4.42Å; L14-L54 CarbonylContact C-O 3.59Å; L14-L54 HydrophobicContact CB-CD2 4.31Å; L14-L54 PolarHBondContact N-O 3.32Å; L14-S56 PolarHBondContact N-O 3.17Å; L14-L58 HydrophobicContact CD2-CB 4.42Å |
| 15 | S | 86.6 | Confident | 79.7 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -31.3 | 174.5 | 57 | 0 | 0 | 0 | 0 | 113.4 | P13 Q17 P19 L54 | P13-S15 PolarHBondContact O-N 3.43Å; S15-Q17 VanDerWaalsContact C-N 3.29Å; S15-P19 VanDerWaalsContact O-CD 3.3Å; S15-P19 WeakPolarHBondContact O-CD 3.27Å; S15-L54 WeakPolarHBondContact CB-O 3.4Å; S15-L54 PolarHBondContact N-O 2.99Å; S15-L54 PolarHBondContact OG-O 3.36Å; S15-L54 VanDerWaalsContact OG-O 3.12Å |
| 16 | S | 86.9 | Confident | 80.4 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 48% | 0.476 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -75.5 | -19.8 | 174.3 | 70.3 | 0 | 0 | 0 | 0 | 113 | P13 L14 | P13-S16 PolarHBondContact O-N 2.89Å; P13-S16 PolarHBondContact O-OG 2.83Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.5Å |
| 17 | Q | 87.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -102.6 | -26.2 | -176.3 | -56.8 | -174.9 | 71.6 | 0 | 0 | 112.4 | L9 L12 L14 S15 P19 A20 I21 | L9-Q17 PolarHBondContact O-NE2 2.92Å; L12-Q17 PolarHBondContact O-NE2 2.9Å; L14-Q17 CarbonylContact O-C 3.39Å; L14-Q17 PolarHBondContact O-N 3.1Å; S15-Q17 VanDerWaalsContact C-N 3.29Å; Q17-P19 VanDerWaalsContact C-N 3.34Å; Q17-A20 WeakPolarHBondContact O-CB 3.17Å; Q17-A20 PolarHBondContact O-N 2.87Å; Q17-I21 PolarHBondContact O-N 3.48Å; Q17-I21 VanDerWaalsContact O-N 3.15Å |
| 18 | L | 85.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.3 | -38 | 177.1 | -172.5 | 66.2 | 0 | 0 | 0 | 114.3 | L14 A20 I21 H22 L31 L36 L54 L77 | L14-L18 PolarHBondContact O-N 2.86Å; L18-A20 VanDerWaalsContact C-N 3.27Å; L18-A20 PolarHBondContact O-N 3.19Å; L18-I21 PolarHBondContact O-N 3.06Å; L18-H22 VanDerWaalsContact O-CB 3.23Å; L18-H22 WeakPolarHBondContact O-CB 3.48Å; L18-H22 PolarHBondContact O-N 3.4Å; L18-L31 HydrophobicContact CD2-CD1 4.14Å; L18-L31 HydrophobicContact CG-CD1 3.9Å; L18-L36 HydrophobicContact CD1-CD1 4.27Å; L18-L36 HydrophobicContact CD1-CD2 3.98Å; L18-L36 HydrophobicContact CD1-CG 3.98Å; L18-L54 HydrophobicContact CD2-CD1 3.83Å; L18-L54 HydrophobicContact CD2-CD2 4.07Å; L18-L77 HydrophobicContact CD1-CD1 3.74Å |
| 19 | P | 86.6 | Confident | 80.2 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.2 | -33.7 | 176.4 | -21.4 | 32.1 | 0 | 0 | 0 | 113.1 | S15 Q17 K23 L31 | S15-P19 VanDerWaalsContact O-CD 3.3Å; S15-P19 WeakPolarHBondContact O-CD 3.27Å; Q17-P19 VanDerWaalsContact C-N 3.34Å; P19-K23 WeakPolarHBondContact O-CB 3.29Å; P19-K23 PolarHBondContact O-N 3.23Å; P19-L31 HydrophobicContact CB-CD2 4.08Å; P19-L31 HydrophobicContact CG-CD2 4.11Å |
| 20 | A | 82.7 | Confident | 80.3 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.2 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F6 Q17 L18 K23 I24 | F6-A20 HydrophobicContact CE2-CB 3.89Å; F6-A20 HydrophobicContact CZ-CB 4.02Å; Q17-A20 WeakPolarHBondContact O-CB 3.17Å; Q17-A20 PolarHBondContact O-N 2.87Å; L18-A20 VanDerWaalsContact C-N 3.27Å; L18-A20 PolarHBondContact O-N 3.19Å; A20-K23 PolarHBondContact O-N 3.08Å; A20-I24 WeakPolarHBondContact O-CB 3.24Å; A20-I24 WeakPolarHBondContact O-CD1 3.23Å; A20-I24 VanDerWaalsContact O-CG1 3.22Å; A20-I24 WeakPolarHBondContact O-CG1 3.16Å; A20-I24 PolarHBondContact O-N 2.92Å |
| 21 | I | 81.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -52.5 | 173.9 | -65.8 | 172.3 | 0 | 0 | 0 | 110.3 | F6 Q17 L18 K23 I24 L25 L36 L77 L494 | F6-I21 HydrophobicContact CD1-CD1 4.22Å; F6-I21 HydrophobicContact CD1-CG1 3.87Å; F6-I21 HydrophobicContact CD2-CG1 4.48Å; F6-I21 HydrophobicContact CE1-CD1 3.97Å; F6-I21 HydrophobicContact CE1-CG1 3.65Å; F6-I21 HydrophobicContact CE2-CG1 4.28Å; F6-I21 HydrophobicContact CG-CG1 4.29Å; F6-I21 HydrophobicContact CZ-CG1 3.87Å; Q17-I21 PolarHBondContact O-N 3.48Å; Q17-I21 VanDerWaalsContact O-N 3.15Å; L18-I21 PolarHBondContact O-N 3.06Å; I21-K23 PolarHBondContact O-N 2.74Å; I21-I24 PolarHBondContact O-N 2.84Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 HydrophobicContact CG2-CG 4.41Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 2.68Å; I21-L36 HydrophobicContact CD1-CD1 4.03Å; I21-L36 HydrophobicContact CD1-CD2 4.47Å; I21-L36 HydrophobicContact CG2-CD2 4.21Å; I21-L77 HydrophobicContact CG2-CD1 4.35Å; I21-L494 HydrophobicContact CB-CD1 4.4Å; I21-L494 HydrophobicContact CD1-CD2 4.38Å; I21-L494 HydrophobicContact CG1-CD1 4.2Å; I21-L494 HydrophobicContact CG1-CD2 4.42Å; I21-L494 HydrophobicContact CG2-CD1 3.93Å; I21-L494 HydrophobicContact CG2-CD2 4.07Å |
| 22 | H | 82.7 | Confident | 80.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 178 | -173.4 | -74.7 | 0 | 0 | 0 | 111.7 | L18 I24 L25 H26 P27 H29 L31 S34 | L18-H22 VanDerWaalsContact O-CB 3.23Å; L18-H22 WeakPolarHBondContact O-CB 3.48Å; L18-H22 PolarHBondContact O-N 3.4Å; H22-I24 VanDerWaalsContact C-N 3.25Å; H22-I24 PolarHBondContact O-N 3.36Å; H22-L25 PolarHBondContact O-N 2.88Å; H22-H26 PolarHBondContact O-N 2.94Å; H22-P27 WeakPolarHBondContact CD2-CG 3.28Å; H22-P27 VanDerWaalsContact NE2-CG 3.26Å; H22-P27 WeakPolarHBondContact NE2-CG 3.39Å; H22-P27 WeakPolarHBondContact O-CD 3.23Å; H22-H29 PolarHBondContact NE2-O 3.31Å; H22-L31 HydrophobicContact CB-CD1 3.73Å; H22-L31 PolarHBondContact NE2-N 2.93Å; H22-S34 PolarHBondContact CD2-OG 2.75Å |
| 23 | K | 82.7 | Confident | 80.9 | Confident | 160 Ų | 160 | 55.1 Ų | 55.1 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.5 | -29.5 | 176.5 | -177 | 176.1 | 179.5 | -178.4 | 0 | 113.6 | P19 A20 I21 H26 | P19-K23 WeakPolarHBondContact O-CB 3.29Å; P19-K23 PolarHBondContact O-N 3.23Å; A20-K23 PolarHBondContact O-N 3.08Å; I21-K23 PolarHBondContact O-N 2.74Å; K23-H26 PolarHBondContact O-CE1 3.09Å; K23-H26 PolarHBondContact O-ND1 2.83Å; K23-H26 PolarHBondContact O-NE2 2.92Å |
| 24 | I | 78.3 | Confident | 80.8 | Confident | 71 Ų | 71 | 53 Ų | 53 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -79.7 | -44.9 | 177.5 | -71.3 | 164.8 | 0 | 0 | 0 | 110.7 | I4 F6 A20 I21 H22 H26 | I4-I24 HydrophobicContact CG2-CG2 3.53Å; F6-I24 HydrophobicContact CD2-CD1 3.61Å; F6-I24 HydrophobicContact CE2-CD1 3.88Å; A20-I24 WeakPolarHBondContact O-CB 3.24Å; A20-I24 WeakPolarHBondContact O-CD1 3.23Å; A20-I24 VanDerWaalsContact O-CG1 3.22Å; A20-I24 WeakPolarHBondContact O-CG1 3.16Å; A20-I24 PolarHBondContact O-N 2.92Å; I21-I24 PolarHBondContact O-N 2.84Å; I21-I24 VanDerWaalsContact O-N 3.13Å; H22-I24 VanDerWaalsContact C-N 3.25Å; H22-I24 PolarHBondContact O-N 3.36Å; I24-H26 PolarHBondContact O-ND1 3.45Å |
| 25 | L | 74.6 | Confident | 80.9 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -79.5 | -15.6 | -175.1 | -60.6 | -174.9 | 0 | 0 | 0 | 114.3 | I4 I21 H22 L77 L494 Y496 | I4-L25 HydrophobicContact CB-CD2 4.34Å; I4-L25 HydrophobicContact CD1-CD2 3.89Å; I4-L25 HydrophobicContact CG2-CD2 4.48Å; I21-L25 HydrophobicContact CG2-CD1 3.89Å; I21-L25 HydrophobicContact CG2-CG 4.41Å; I21-L25 WeakPolarHBondContact O-CG 3.34Å; I21-L25 PolarHBondContact O-N 2.68Å; H22-L25 PolarHBondContact O-N 2.88Å; L25-L77 HydrophobicContact CD1-CB 3.98Å; L25-L77 HydrophobicContact CD1-CD2 4.23Å; L25-L494 HydrophobicContact CD1-CB 4.3Å; L25-L494 HydrophobicContact CD1-CD1 4.31Å; L25-L494 HydrophobicContact CD2-CB 4.03Å; L25-L494 HydrophobicContact CD2-CD1 4.13Å; L25-L494 HydrophobicContact CG-CD1 4.27Å; L25-Y496 HydrophobicContact CB-CD2 4.09Å; L25-Y496 HydrophobicContact CB-CG 4.14Å; L25-Y496 HydrophobicContact CD1-CD2 4.32Å |
| 26 | H | 76.4 | Confident | 80.8 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | trans | 52 | 47.7 | 178.3 | -64.1 | 81.4 | 0 | 0 | 0 | 115.7 | H22 K23 I24 R501 | H22-H26 PolarHBondContact O-N 2.94Å; K23-H26 PolarHBondContact O-CE1 3.09Å; K23-H26 PolarHBondContact O-ND1 2.83Å; K23-H26 PolarHBondContact O-NE2 2.92Å; I24-H26 PolarHBondContact O-ND1 3.45Å; H26-R501 VanDerWaalsContact C-NH1 3.3Å; H26-R501 WeakPolarHBondContact O-CD 3.39Å; H26-R501 PolarHBondContact O-NH1 3.06Å | ||
| 27 | P | 71.1 | Confident | 80.5 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | trans | -68.4 | 162.3 | -179.4 | 35.2 | -41.1 | 0 | 0 | 0 | 113.4 | H22 L77 Y496 R501 | H22-P27 WeakPolarHBondContact CD2-CG 3.28Å; H22-P27 VanDerWaalsContact NE2-CG 3.26Å; H22-P27 WeakPolarHBondContact NE2-CG 3.39Å; H22-P27 WeakPolarHBondContact O-CD 3.23Å; P27-L77 HydrophobicContact CB-CD2 3.85Å; P27-L77 HydrophobicContact CG-CD2 3.74Å; P27-Y496 HydrophobicContact CB-CD2 4.42Å; P27-Y496 HydrophobicContact CB-CE2 3.61Å; P27-R501 PolarHBondContact O-NH1 2.75Å | ||
| 28 | P | 66.8 | Low | 80.2 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 20% | 0.201 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -74.8 | -34.4 | 172.8 | 28.6 | -30.6 | 0 | 0 | 0 | 112.3 | Y496 L500 R501 | P28-Y496 WeakPolarHBondContact CD-OH 3.43Å; P28-L500 HydrophobicContact CB-CB 4.01Å; P28-L500 VanDerWaalsContact CG-C 3.47Å; P28-L500 HydrophobicContact CG-CB 3.45Å; P28-L500 VanDerWaalsContact CG-CB 3.45Å; P28-L500 WeakPolarHBondContact CG-O 3.27Å; P28-R501 HydrophobicContact CB-CB 3.58Å; P28-R501 HydrophobicContact CB-CG 3.79Å; P28-R501 HydrophobicContact CG-CB 3.9Å |
| 29 | H | 69.4 | Low | 79.7 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 17% | 0.167 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -66.6 | 143.5 | -175.2 | -64.3 | 107.1 | 0 | 0 | 0 | 109.2 | H22 D33 T79 | H22-H29 PolarHBondContact NE2-O 3.31Å; H29-D33 HydrophobicContact CB-CB 4.42Å; H29-T79 PolarHBondContact CD2-OG1 3.49Å; H29-T79 PolarHBondContact CE1-OG1 3.42Å; H29-T79 PolarHBondContact ND1-OG1 3.31Å; H29-T79 PolarHBondContact NE2-OG1 3.18Å |
| 30 | R | 80.6 | Confident | 79.1 | Confident | 167 Ų | 167 | 48.3 Ų | 48.3 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | trans | -64.2 | 154.9 | 173.8 | -53.5 | 179.9 | 176.7 | -177.5 | 1.6 | 109 | E32 D33 S34 | R30-E32 HydrophobicContact CB-CG 3.65Å; R30-E32 WeakPolarHBondContact CD-OE1 3.46Å; R30-E32 IonicContact CZ-OE1 3.86Å; R30-E32 IonicContact NE-OE1 3.13Å; R30-E32 IonicContact NH1-OE1 3.64Å; R30-E32 PolarHBondContact NH1-OE1 2.81Å; R30-E32 PolarHBondContact O-N 2.95Å; R30-D33 WeakPolarHBondContact CB-OD2 3.22Å; R30-D33 PolarHBondContact O-N 3.28Å; R30-S34 PolarHBondContact O-N 3.33Å; R30-S34 PolarHBondContact O-OG 3.41Å | ||
| 31 | L | 82.5 | Confident | 78.4 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -57.1 | -35.5 | 176 | 179.1 | 62.5 | 0 | 0 | 0 | 111.3 | L18 P19 H22 D33 S34 | L18-L31 HydrophobicContact CD2-CD1 4.14Å; L18-L31 HydrophobicContact CG-CD1 3.9Å; P19-L31 HydrophobicContact CB-CD2 4.08Å; P19-L31 HydrophobicContact CG-CD2 4.11Å; H22-L31 HydrophobicContact CB-CD1 3.73Å; H22-L31 PolarHBondContact NE2-N 2.93Å; L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 2.82Å; L31-S34 PolarHBondContact O-N 3.4Å |
| 32 | E | 83.5 | Confident | 77.4 | Confident | 115 Ų | 115 | 51.8 Ų | 51.8 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -65.3 | -26.8 | 175.3 | 59.7 | -171 | -177.8 | 0 | 0 | 114.4 | R30 K80 | R30-E32 HydrophobicContact CB-CG 3.65Å; R30-E32 WeakPolarHBondContact CD-OE1 3.46Å; R30-E32 IonicContact CZ-OE1 3.86Å; R30-E32 IonicContact NE-OE1 3.13Å; R30-E32 IonicContact NH1-OE1 3.64Å; R30-E32 PolarHBondContact NH1-OE1 2.81Å; R30-E32 PolarHBondContact O-N 2.95Å; E32-K80 WeakPolarHBondContact O-CD 3.48Å; E32-K80 VanDerWaalsContact O-CE 3.27Å; E32-K80 WeakPolarHBondContact O-CE 3.23Å; E32-K80 PolarHBondContact O-NZ 3.39Å |
| 33 | D | 84.3 | Confident | 75.9 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -90.6 | -8.4 | 179 | -59.6 | -48.6 | 0 | 0 | 0 | 113.3 | H29 R30 L31 K80 | H29-D33 HydrophobicContact CB-CB 4.42Å; R30-D33 WeakPolarHBondContact CB-OD2 3.22Å; R30-D33 PolarHBondContact O-N 3.28Å; L31-D33 VanDerWaalsContact C-N 3.32Å; L31-D33 PolarHBondContact O-N 2.82Å; D33-K80 WeakPolarHBondContact O-CG 3.44Å; D33-K80 PolarHBondContact O-N 3.39Å |
| 34 | S | 83.2 | Confident | 74.5 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 143.7 | -169.7 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | H22 R30 L31 K80 | H22-S34 PolarHBondContact CD2-OG 2.75Å; R30-S34 PolarHBondContact O-N 3.33Å; R30-S34 PolarHBondContact O-OG 3.41Å; L31-S34 PolarHBondContact O-N 3.4Å; S34-K80 WeakPolarHBondContact O-CE 3.36Å |
| 35 | T | 84.5 | Confident | 73.5 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 173.5 | 172.3 | -166.1 | 0 | 0 | 0 | 0 | 111 | Y51 R78 K80 | T35-Y51 HydrophobicContact CG2-CD1 3.76Å; T35-Y51 HydrophobicContact CG2-CE1 4.01Å; T35-R78 HydrophobicContact CG2-CB 4.16Å; T35-R78 PolarHBondContact N-O 2.97Å; T35-R78 PolarHBondContact O-N 3.23Å; T35-K80 HydrophobicContact CG2-CG 4.22Å |
| 36 | L | 84.2 | Confident | 73 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.3 | 179.3 | -60.6 | 172.3 | 0 | 0 | 0 | 110.2 | L14 L18 I21 Y51 L52 L54 V75 V76 L77 | L14-L36 HydrophobicContact CD2-CD1 4.46Å; L18-L36 HydrophobicContact CD1-CD1 4.27Å; L18-L36 HydrophobicContact CD1-CD2 3.98Å; L18-L36 HydrophobicContact CD1-CG 3.98Å; I21-L36 HydrophobicContact CD1-CD1 4.03Å; I21-L36 HydrophobicContact CD1-CD2 4.47Å; I21-L36 HydrophobicContact CG2-CD2 4.21Å; L36-Y51 WeakPolarHBondContact O-CA 3.34Å; L36-L52 HydrophobicContact CB-CB 4.16Å; L36-L52 HydrophobicContact CB-CD1 3.86Å; L36-L52 HydrophobicContact CB-CG 4.14Å; L36-L52 HydrophobicContact CD1-CD1 4.42Å; L36-L52 PolarHBondContact O-N 2.62Å; L36-L54 HydrophobicContact CD1-CD2 4.22Å; L36-L54 HydrophobicContact CG-CD2 4.24Å; L36-V75 HydrophobicContact CB-CG1 3.8Å; L36-V75 HydrophobicContact CD1-CG1 4.32Å; L36-V75 HydrophobicContact CD2-CG1 3.95Å; L36-V75 HydrophobicContact CG-CG1 4.23Å; L36-V76 CarbonylContact C-O 3.33Å; L36-V76 WeakPolarHBondContact CA-O 3.47Å; L36-L77 HydrophobicContact CD2-CD1 3.67Å |
| 37 | Q | 81.6 | Confident | 72.7 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.5 | 174.5 | -167.1 | 176.9 | 20.4 | 0 | 0 | 110.2 | G49 Y51 V76 R78 | Q37-G49 WeakPolarHBondContact CG-O 3.42Å; Q37-G49 PolarHBondContact NE2-O 3.04Å; Q37-Y51 HydrophobicContact CB-CD1 4Å; Q37-Y51 HydrophobicContact CB-CE1 4.16Å; Q37-Y51 HydrophobicContact CB-CG 4.49Å; Q37-Y51 HydrophobicContact CG-CD1 4.15Å; Q37-Y51 HydrophobicContact CG-CD2 4.39Å; Q37-Y51 HydrophobicContact CG-CE1 4.28Å; Q37-Y51 HydrophobicContact CG-CE2 4.49Å; Q37-Y51 HydrophobicContact CG-CG 4.23Å; Q37-V76 PolarHBondContact N-O 2.99Å; Q37-V76 PolarHBondContact O-N 3.41Å; Q37-R78 HydrophobicContact CB-CG 4.22Å |
| 38 | L | 80.7 | Confident | 72.7 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 138 | 172.7 | -175.1 | 67.1 | 0 | 0 | 0 | 110.3 | K40 G49 S50 L52 L65 I67 N73 | L38-K40 HydrophobicContact CD2-CD 4.47Å; L38-K40 HydrophobicContact CD2-CG 4.09Å; L38-K40 HydrophobicContact CG-CG 4.24Å; L38-G49 WeakPolarHBondContact O-CA 3.32Å; L38-G49 PolarHBondContact O-N 3.25Å; L38-S50 PolarHBondContact N-O 2.77Å; L38-L52 HydrophobicContact CB-CD2 4.43Å; L38-L65 HydrophobicContact CD2-CB 4.19Å; L38-L65 HydrophobicContact CD2-CD2 4.4Å; L38-I67 HydrophobicContact CD1-CD1 3.93Å; L38-I67 HydrophobicContact CD2-CD1 3.84Å; L38-I67 HydrophobicContact CD2-CG1 3.86Å; L38-N73 HydrophobicContact CD1-CB 4.13Å |
| 39 | Y | 75.9 | Confident | 72.9 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 21% | 0.212 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.1 | 170.6 | -173 | -104.9 | 0 | 0 | 0 | 109.7 | F41 S46 E47 F48 N73 S74 | Y39-F41 HydrophobicContact CD1-CD2 4.19Å; Y39-F41 HydrophobicContact CD1-CE1 4.12Å; Y39-F41 AromaticContact CD1-CE2 3.71Å; Y39-F41 HydrophobicContact CD1-CE2 3.71Å; Y39-F41 AromaticContact CD1-CZ 3.67Å; Y39-F41 HydrophobicContact CD1-CZ 3.67Å; Y39-F41 HydrophobicContact CE1-CD1 4.07Å; Y39-F41 HydrophobicContact CE1-CD2 4.49Å; Y39-F41 AromaticContact CE1-CE1 3.64Å; Y39-F41 HydrophobicContact CE1-CE1 3.64Å; Y39-F41 HydrophobicContact CE1-CE2 4.11Å; Y39-F41 HydrophobicContact CE1-CG 4.49Å; Y39-F41 AromaticContact CE1-CZ 3.67Å; Y39-F41 HydrophobicContact CE1-CZ 3.67Å; Y39-S46 VanDerWaalsContact OH-CB 3.24Å; Y39-S46 WeakPolarHBondContact OH-CB 3.33Å; Y39-E47 WeakPolarHBondContact CD2-O 3.43Å; Y39-F48 AromaticContact CD2-CD1 3.63Å; Y39-F48 HydrophobicContact CD2-CD1 3.63Å; Y39-F48 HydrophobicContact CD2-CD2 4.08Å; Y39-F48 AromaticContact CD2-CE1 3.49Å; Y39-F48 HydrophobicContact CD2-CE1 3.49Å; Y39-F48 VanDerWaalsContact CD2-CE1 3.49Å; Y39-F48 AromaticContact CD2-CE2 3.96Å; Y39-F48 HydrophobicContact CD2-CE2 3.96Å; Y39-F48 AromaticContact CD2-CG 3.91Å; Y39-F48 HydrophobicContact CD2-CG 3.91Å; Y39-F48 AromaticContact CD2-CZ 3.65Å; Y39-F48 HydrophobicContact CD2-CZ 3.65Å; Y39-F48 HydrophobicContact CE2-CD1 4.34Å; Y39-F48 AromaticContact CE2-CD2 3.99Å; Y39-F48 HydrophobicContact CE2-CD2 3.99Å; Y39-F48 HydrophobicContact CE2-CE1 4.04Å; Y39-F48 AromaticContact CE2-CE2 3.68Å; Y39-F48 HydrophobicContact CE2-CE2 3.68Å; Y39-F48 HydrophobicContact CE2-CG 4.3Å; Y39-F48 AromaticContact CE2-CZ 3.68Å; Y39-F48 HydrophobicContact CE2-CZ 3.68Å; Y39-F48 HydrophobicContact CG-CE1 4.36Å; Y39-N73 WeakPolarHBondContact O-CA 3.42Å; Y39-S74 PolarHBondContact N-O 2.69Å; Y39-S74 PolarHBondContact O-N 2.83Å |
| 40 | K | 74 | Confident | 73.2 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 9% | 0.087 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.8 | -174.2 | -56.5 | -167.3 | 178.1 | -174.6 | 0 | 110.9 | L38 G42 S46 E47 L65 E66 N73 | L38-K40 HydrophobicContact CD2-CD 4.47Å; L38-K40 HydrophobicContact CD2-CG 4.09Å; L38-K40 HydrophobicContact CG-CG 4.24Å; K40-G42 PolarHBondContact O-N 2.99Å; K40-S46 CarbonylContact O-C 3.5Å; K40-S46 VanDerWaalsContact O-CA 3.27Å; K40-S46 WeakPolarHBondContact O-CA 3.36Å; K40-E47 HydrophobicContact CB-CG 4.04Å; K40-E47 PolarHBondContact N-O 3.36Å; K40-E47 PolarHBondContact O-N 3.42Å; K40-L65 VanDerWaalsContact CE-O 3.27Å; K40-L65 WeakPolarHBondContact CE-O 3.41Å; K40-L65 PolarHBondContact NZ-O 3.31Å; K40-E66 PolarHBondContact NZ-O 2.9Å; K40-N73 WeakPolarHBondContact CA-OD1 3.44Å; K40-N73 WeakPolarHBondContact CG-OD1 3.19Å |
| 41 | F | 67.5 | Low | 73.3 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 92.8 | 174.8 | -64.5 | -93.9 | 0 | 0 | 0 | 110.3 | Y39 E72 | Y39-F41 HydrophobicContact CD1-CD2 4.19Å; Y39-F41 HydrophobicContact CD1-CE1 4.12Å; Y39-F41 AromaticContact CD1-CE2 3.71Å; Y39-F41 HydrophobicContact CD1-CE2 3.71Å; Y39-F41 AromaticContact CD1-CZ 3.67Å; Y39-F41 HydrophobicContact CD1-CZ 3.67Å; Y39-F41 HydrophobicContact CE1-CD1 4.07Å; Y39-F41 HydrophobicContact CE1-CD2 4.49Å; Y39-F41 AromaticContact CE1-CE1 3.64Å; Y39-F41 HydrophobicContact CE1-CE1 3.64Å; Y39-F41 HydrophobicContact CE1-CE2 4.11Å; Y39-F41 HydrophobicContact CE1-CG 4.49Å; Y39-F41 AromaticContact CE1-CZ 3.67Å; Y39-F41 HydrophobicContact CE1-CZ 3.67Å; F41-E72 HydrophobicContact CB-CB 4.36Å; F41-E72 WeakPolarHBondContact CB-O 3.45Å; F41-E72 HydrophobicContact CD2-CB 4.32Å; F41-E72 WeakPolarHBondContact CD2-O 3.38Å; F41-E72 PolarHBondContact N-O 3.09Å |
| 42 | G | 60.5 | Low | 73.3 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -82.4 | 155.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K40 A44 Q45 | K40-G42 PolarHBondContact O-N 2.99Å; G42-A44 VanDerWaalsContact C-N 3.25Å; G42-A44 PolarHBondContact O-N 3.04Å; G42-Q45 CarbonylContact C-O 3.58Å; G42-Q45 WeakPolarHBondContact CA-O 3.07Å; G42-Q45 PolarHBondContact N-O 2.72Å | ||
| 43 | Q | 51.5 | Low | 73.3 | Confident | 215 Ų | 215 | 55.6 Ų | 55.6 | 100% | 1.005 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -72 | -14 | -178.9 | -69.6 | -175 | -7.2 | 0 | 0 | 114.5 | ||
| 44 | A | 54 | Low | 73.4 | Confident | 101 Ų | 101 | 54.7 Ų | 54.7 | 84% | 0.835 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -117.2 | -42.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G42 | G42-A44 VanDerWaalsContact C-N 3.25Å; G42-A44 PolarHBondContact O-N 3.04Å |
| 45 | Q | 56.1 | Low | 73.5 | Confident | 169 Ų | 169 | 60.8 Ų | 60.8 | 79% | 0.79 | 33% | 0.325 | S | S | * | . | trans | -140.1 | 147.4 | 172.6 | -68.4 | 179.6 | -15.7 | 0 | 0 | 108.4 | G42 | G42-Q45 CarbonylContact C-O 3.58Å; G42-Q45 WeakPolarHBondContact CA-O 3.07Å; G42-Q45 PolarHBondContact N-O 2.72Å | ||
| 46 | S | 64.7 | Low | 73.4 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.5 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 108.8 | Y39 K40 | Y39-S46 VanDerWaalsContact OH-CB 3.24Å; Y39-S46 WeakPolarHBondContact OH-CB 3.33Å; K40-S46 CarbonylContact O-C 3.5Å; K40-S46 VanDerWaalsContact O-CA 3.27Å; K40-S46 WeakPolarHBondContact O-CA 3.36Å |
| 47 | E | 70.3 | Confident | 73.3 | Confident | 115 Ų | 115 | 62.3 Ų | 62.3 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.3 | -167.2 | 61.9 | 171.5 | -171.6 | 0 | 0 | 112.7 | Y39 K40 G49 | Y39-E47 WeakPolarHBondContact CD2-O 3.43Å; K40-E47 HydrophobicContact CB-CG 4.04Å; K40-E47 PolarHBondContact N-O 3.36Å; K40-E47 PolarHBondContact O-N 3.42Å; E47-G49 PolarHBondContact O-N 3.13Å |
| 48 | F | 71 | Confident | 73.2 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.3 | 166.3 | -74.5 | -80.4 | 0 | 0 | 0 | 109.2 | Y39 V76 | Y39-F48 AromaticContact CD2-CD1 3.63Å; Y39-F48 HydrophobicContact CD2-CD1 3.63Å; Y39-F48 HydrophobicContact CD2-CD2 4.08Å; Y39-F48 AromaticContact CD2-CE1 3.49Å; Y39-F48 HydrophobicContact CD2-CE1 3.49Å; Y39-F48 VanDerWaalsContact CD2-CE1 3.49Å; Y39-F48 AromaticContact CD2-CE2 3.96Å; Y39-F48 HydrophobicContact CD2-CE2 3.96Å; Y39-F48 AromaticContact CD2-CG 3.91Å; Y39-F48 HydrophobicContact CD2-CG 3.91Å; Y39-F48 AromaticContact CD2-CZ 3.65Å; Y39-F48 HydrophobicContact CD2-CZ 3.65Å; Y39-F48 HydrophobicContact CE2-CD1 4.34Å; Y39-F48 AromaticContact CE2-CD2 3.99Å; Y39-F48 HydrophobicContact CE2-CD2 3.99Å; Y39-F48 HydrophobicContact CE2-CE1 4.04Å; Y39-F48 AromaticContact CE2-CE2 3.68Å; Y39-F48 HydrophobicContact CE2-CE2 3.68Å; Y39-F48 HydrophobicContact CE2-CG 4.3Å; Y39-F48 AromaticContact CE2-CZ 3.68Å; Y39-F48 HydrophobicContact CE2-CZ 3.68Å; Y39-F48 HydrophobicContact CG-CE1 4.36Å; F48-V76 HydrophobicContact CE1-CG2 4.31Å |
| 49 | G | 71.3 | Confident | 73 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -159.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q37 L38 E47 | Q37-G49 WeakPolarHBondContact CG-O 3.42Å; Q37-G49 PolarHBondContact NE2-O 3.04Å; L38-G49 WeakPolarHBondContact O-CA 3.32Å; L38-G49 PolarHBondContact O-N 3.25Å; E47-G49 PolarHBondContact O-N 3.13Å |
| 50 | S | 74.9 | Confident | 73.1 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 34% | 0.336 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 143.7 | 179.4 | 37 | 0 | 0 | 0 | 0 | 112.9 | L38 L65 | L38-S50 PolarHBondContact N-O 2.77Å; S50-L65 WeakPolarHBondContact OG-CD2 3.49Å |
| 51 | Y | 82.4 | Confident | 73.4 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 134.9 | 158.1 | -71.2 | -89.7 | 0 | 0 | 0 | 109.2 | T35 L36 Q37 R78 L81 R84 D114 D116 | T35-Y51 HydrophobicContact CG2-CD1 3.76Å; T35-Y51 HydrophobicContact CG2-CE1 4.01Å; L36-Y51 WeakPolarHBondContact O-CA 3.34Å; Q37-Y51 HydrophobicContact CB-CD1 4Å; Q37-Y51 HydrophobicContact CB-CE1 4.16Å; Q37-Y51 HydrophobicContact CB-CG 4.49Å; Q37-Y51 HydrophobicContact CG-CD1 4.15Å; Q37-Y51 HydrophobicContact CG-CD2 4.39Å; Q37-Y51 HydrophobicContact CG-CE1 4.28Å; Q37-Y51 HydrophobicContact CG-CE2 4.49Å; Q37-Y51 HydrophobicContact CG-CG 4.23Å; Y51-R78 HydrophobicContact CE1-CB 4.06Å; Y51-R78 HydrophobicContact CE1-CG 4.4Å; Y51-L81 HydrophobicContact CD2-CD1 3.92Å; Y51-L81 HydrophobicContact CD2-CG 4.45Å; Y51-L81 HydrophobicContact CE1-CD2 4.44Å; Y51-L81 HydrophobicContact CE1-CG 4.33Å; Y51-L81 HydrophobicContact CE2-CD1 3.89Å; Y51-L81 HydrophobicContact CE2-CD2 3.76Å; Y51-L81 HydrophobicContact CE2-CG 4.04Å; Y51-L81 HydrophobicContact CG-CD1 4.37Å; Y51-L81 WeakPolarHBondContact OH-CD2 3.49Å; Y51-R84 PolarHBondContact OH-NH1 2.76Å; Y51-D114 PolarHBondContact OH-OD2 3.24Å; Y51-D116 HydrophobicContact CD2-CB 4.23Å; Y51-D116 HydrophobicContact CE2-CB 4Å |
| 52 | L | 83.2 | Confident | 73.8 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 147.3 | 177.8 | -52.9 | -175.1 | 0 | 0 | 0 | 109.8 | L14 L36 L38 L65 V75 | L14-L52 HydrophobicContact CD1-CB 3.77Å; L14-L52 HydrophobicContact CD1-CD1 3.85Å; L14-L52 HydrophobicContact CD1-CG 4.42Å; L36-L52 HydrophobicContact CB-CB 4.16Å; L36-L52 HydrophobicContact CB-CD1 3.86Å; L36-L52 HydrophobicContact CB-CG 4.14Å; L36-L52 HydrophobicContact CD1-CD1 4.42Å; L36-L52 PolarHBondContact O-N 2.62Å; L38-L52 HydrophobicContact CB-CD2 4.43Å; L52-L65 HydrophobicContact CD2-CD1 4.26Å; L52-L65 HydrophobicContact CD2-CD2 3.56Å; L52-V75 HydrophobicContact CD1-CG1 3.88Å; L52-V75 HydrophobicContact CD1-CG2 4.35Å |
| 53 | D | 84.4 | Confident | 74.3 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 117.2 | 173.1 | 179.6 | 7.3 | 0 | 0 | 0 | 108.4 | D55 S56 Q61 | D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 3.23Å; D53-D55 PolarHBondContact OD1-N 3.04Å; D53-S56 PolarHBondContact O-N 2.71Å; D53-S56 PolarHBondContact OD2-OG 3.38Å; D53-Q61 VanDerWaalsContact CB-NE2 3.26Å |
| 54 | L | 86.5 | Confident | 75.1 | Confident | 23 Ų | 23 | 71.8 Ų | 71.8 | 12% | 0.12 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.3 | -177.9 | -62.6 | 176.6 | 0 | 0 | 0 | 111.8 | L14 S15 L18 L36 S56 | L14-L54 CarbonylContact C-O 3.59Å; L14-L54 HydrophobicContact CB-CD2 4.31Å; L14-L54 PolarHBondContact N-O 3.32Å; S15-L54 WeakPolarHBondContact CB-O 3.4Å; S15-L54 PolarHBondContact N-O 2.99Å; S15-L54 PolarHBondContact OG-O 3.36Å; S15-L54 VanDerWaalsContact OG-O 3.12Å; L18-L54 HydrophobicContact CD2-CD1 3.83Å; L18-L54 HydrophobicContact CD2-CD2 4.07Å; L36-L54 HydrophobicContact CD1-CD2 4.22Å; L36-L54 HydrophobicContact CG-CD2 4.24Å; L54-S56 VanDerWaalsContact C-N 3.34Å |
| 55 | D | 84.5 | Confident | 75.8 | Confident | 129 Ų | 129 | 67.1 Ų | 67.1 | 69% | 0.69 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.2 | -176.9 | -65.2 | -31.5 | 0 | 0 | 0 | 112.8 | D53 | D53-D55 VanDerWaalsContact C-N 3.27Å; D53-D55 PolarHBondContact O-N 3.23Å; D53-D55 PolarHBondContact OD1-N 3.04Å |
| 56 | S | 82.2 | Confident | 76.3 | Confident | 28 Ų | 28 | 66 Ų | 66 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -89 | 157.4 | 172.5 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | P13 L14 D53 L54 | P13-S56 WeakPolarHBondContact CA-O 3.46Å; L14-S56 PolarHBondContact N-O 3.17Å; D53-S56 PolarHBondContact O-N 2.71Å; D53-S56 PolarHBondContact OD2-OG 3.38Å; L54-S56 VanDerWaalsContact C-N 3.34Å |
| 57 | T | 82.3 | Confident | 76.2 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 10% | 0.104 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 153.9 | 165.4 | 69 | 0 | 0 | 0 | 0 | 111 | M10 P13 Q59 E60 Q61 | M10-T57 WeakPolarHBondContact O-CB 3.26Å; P13-T57 HydrophobicContact CG-CG2 4.37Å; T57-Q59 PolarHBondContact O-N 2.82Å; T57-E60 VanDerWaalsContact CB-OE2 3.27Å; T57-E60 WeakPolarHBondContact CB-OE2 3.48Å; T57-E60 VanDerWaalsContact CG2-OE2 3.26Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.16Å; T57-E60 PolarHBondContact N-OE2 3.35Å; T57-E60 PolarHBondContact O-N 3.33Å; T57-E60 WeakPolarHBondContact OG1-CB 3.45Å; T57-E60 VanDerWaalsContact OG1-CD 3.23Å; T57-E60 WeakPolarHBondContact OG1-CG 3.48Å; T57-E60 PolarHBondContact OG1-N 3.42Å; T57-E60 VanDerWaalsContact OG1-N 3.11Å; T57-E60 PolarHBondContact OG1-OE2 3.28Å; T57-Q61 PolarHBondContact O-N 3Å |
| 58 | L | 79.3 | Confident | 75.7 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -25.1 | 175.7 | -170.4 | 64.4 | 0 | 0 | 0 | 112.1 | I8 M10 L14 W62 L65 I492 | I8-L58 HydrophobicContact CB-CD2 4.35Å; I8-L58 HydrophobicContact CD1-CD2 4.48Å; I8-L58 HydrophobicContact CG2-CB 4.37Å; I8-L58 HydrophobicContact CG2-CD2 4.06Å; M10-L58 HydrophobicContact CE-CG 4.38Å; L14-L58 HydrophobicContact CD2-CB 4.42Å; L58-W62 HydrophobicContact CD2-CZ3 4.46Å; L58-W62 HydrophobicContact CG-CE3 4.35Å; L58-W62 PolarHBondContact O-N 2.99Å; L58-L65 HydrophobicContact CD1-CD1 3.93Å; L58-I492 HydrophobicContact CD2-CD1 3.64Å |
| 59 | Q | 76.7 | Confident | 74.9 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.1 | -39.8 | 174.6 | -177 | 60.7 | 20.7 | 0 | 0 | 112.5 | M10 T57 W62 | M10-Q59 HydrophobicContact CB-CB 4.25Å; M10-Q59 WeakPolarHBondContact O-CB 3.46Å; M10-Q59 PolarHBondContact O-N 2.99Å; M10-Q59 VanDerWaalsContact O-N 3.1Å; T57-Q59 PolarHBondContact O-N 2.82Å; Q59-W62 PolarHBondContact O-N 3.36Å |
| 60 | E | 78.1 | Confident | 74.1 | Confident | 136 Ų | 136 | 66.6 Ų | 66.6 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.5 | -33.8 | 177.2 | -73.9 | 160.6 | 134.1 | 0 | 0 | 112.6 | T57 | T57-E60 VanDerWaalsContact CB-OE2 3.27Å; T57-E60 WeakPolarHBondContact CB-OE2 3.48Å; T57-E60 VanDerWaalsContact CG2-OE2 3.26Å; T57-E60 WeakPolarHBondContact CG2-OE2 3.16Å; T57-E60 PolarHBondContact N-OE2 3.35Å; T57-E60 PolarHBondContact O-N 3.33Å; T57-E60 WeakPolarHBondContact OG1-CB 3.45Å; T57-E60 VanDerWaalsContact OG1-CD 3.23Å; T57-E60 WeakPolarHBondContact OG1-CG 3.48Å; T57-E60 PolarHBondContact OG1-N 3.42Å; T57-E60 VanDerWaalsContact OG1-N 3.11Å; T57-E60 PolarHBondContact OG1-OE2 3.28Å |
| 61 | Q | 80.2 | Confident | 73.4 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -80.8 | -13.8 | 178.2 | -59.8 | -149.9 | -77.7 | 0 | 0 | 114 | D53 T57 E63 D64 L65 | D53-Q61 VanDerWaalsContact CB-NE2 3.26Å; T57-Q61 PolarHBondContact O-N 3Å; Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 PolarHBondContact O-N 2.93Å; Q61-E63 VanDerWaalsContact O-N 3.1Å; Q61-D64 WeakPolarHBondContact O-CB 3.47Å; Q61-D64 PolarHBondContact O-N 2.88Å; Q61-L65 HydrophobicContact CB-CG 4.43Å; Q61-L65 WeakPolarHBondContact O-CG 3.49Å; Q61-L65 PolarHBondContact O-N 3.11Å |
| 62 | W | 76.2 | Confident | 72.5 | Confident | 82 Ų | 82 | 70 Ų | 70 | 31% | 0.311 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.9 | -164.9 | -166.7 | -90.4 | 0 | 0 | 0 | 114.7 | M10 L58 Q59 I67 I486 | M10-W62 HydrophobicContact CE-CD2 4.02Å; M10-W62 HydrophobicContact CE-CE3 3.4Å; M10-W62 HydrophobicContact CE-CZ3 3.75Å; L58-W62 HydrophobicContact CD2-CZ3 4.46Å; L58-W62 HydrophobicContact CG-CE3 4.35Å; L58-W62 PolarHBondContact O-N 2.99Å; Q59-W62 PolarHBondContact O-N 3.36Å; W62-I67 HydrophobicContact CZ2-CG2 4.27Å; W62-I486 HydrophobicContact CH2-CG2 3.97Å; W62-I486 HydrophobicContact CZ2-CG2 4.43Å |
| 63 | E | 71.1 | Confident | 71.8 | Confident | 183 Ų | 183 | 70.6 Ų | 70.6 | 86% | 0.855 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.2 | 176.9 | -63.6 | -174.3 | 177 | 0 | 0 | 112.8 | Q61 | Q61-E63 VanDerWaalsContact C-N 3.28Å; Q61-E63 PolarHBondContact O-N 2.93Å; Q61-E63 VanDerWaalsContact O-N 3.1Å |
| 64 | D | 68.1 | Low | 71.1 | Confident | 92 Ų | 92 | 67.8 Ų | 67.8 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.4 | 179.7 | -87.4 | 8.1 | 0 | 0 | 0 | 113.1 | Q61 K1191 | Q61-D64 WeakPolarHBondContact O-CB 3.47Å; Q61-D64 PolarHBondContact O-N 2.88Å; D64-K1191 IonicContact OD2-NZ 3.88Å; D64-K1191 PolarHBondContact OD2-NZ 3.49Å |
| 65 | L | 69.4 | Low | 70.5 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.2 | -175.4 | -65.2 | -179.4 | 0 | 0 | 0 | 114.5 | L38 K40 S50 L52 L58 Q61 I67 | L38-L65 HydrophobicContact CD2-CB 4.19Å; L38-L65 HydrophobicContact CD2-CD2 4.4Å; K40-L65 VanDerWaalsContact CE-O 3.27Å; K40-L65 WeakPolarHBondContact CE-O 3.41Å; K40-L65 PolarHBondContact NZ-O 3.31Å; S50-L65 WeakPolarHBondContact OG-CD2 3.49Å; L52-L65 HydrophobicContact CD2-CD1 4.26Å; L52-L65 HydrophobicContact CD2-CD2 3.56Å; L58-L65 HydrophobicContact CD1-CD1 3.93Å; Q61-L65 HydrophobicContact CB-CG 4.43Å; Q61-L65 WeakPolarHBondContact O-CG 3.49Å; Q61-L65 PolarHBondContact O-N 3.11Å; L65-I67 VanDerWaalsContact C-N 3.31Å; L65-I67 HydrophobicContact CB-CD1 3.77Å; L65-I67 HydrophobicContact CB-CG1 3.9Å; L65-I67 HydrophobicContact CD1-CD1 3.88Å; L65-I67 HydrophobicContact CG-CD1 4.47Å; L65-I67 PolarHBondContact O-N 3.19Å |
| 66 | E | 64.7 | Low | 70.1 | Confident | 145 Ų | 145 | 61.3 Ų | 61.3 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 48.6 | -176.9 | -63.8 | 176.1 | 170.9 | 0 | 0 | 112.3 | K40 | K40-E66 PolarHBondContact NZ-O 2.9Š|
| 67 | I | 64.4 | Low | 70 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | trans | -96.3 | 120.5 | 179.2 | -69 | 171 | 0 | 0 | 0 | 110.2 | L38 W62 L65 | L38-I67 HydrophobicContact CD1-CD1 3.93Å; L38-I67 HydrophobicContact CD2-CD1 3.84Å; L38-I67 HydrophobicContact CD2-CG1 3.86Å; W62-I67 HydrophobicContact CZ2-CG2 4.27Å; L65-I67 VanDerWaalsContact C-N 3.31Å; L65-I67 HydrophobicContact CB-CD1 3.77Å; L65-I67 HydrophobicContact CB-CG1 3.9Å; L65-I67 HydrophobicContact CD1-CD1 3.88Å; L65-I67 HydrophobicContact CG-CD1 4.47Å; L65-I67 PolarHBondContact O-N 3.19Å | ||
| 68 | S | 58.3 | Low | 69.7 | Low | 66 Ų | 66 | 61 Ų | 61 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | trans | -78.2 | 133.8 | 164.4 | -62.9 | 0 | 0 | 0 | 0 | 110.3 | D70 Q71 | S68-D70 PolarHBondContact O-N 3.21Å; S68-Q71 PolarHBondContact O-N 3.06Å | ||
| 69 | A | 54.9 | Low | 69.8 | Low | 63 Ų | 63 | 61.9 Ų | 61.9 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 70 | D | 55.1 | Low | 70.1 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 0.1 | 176.9 | -67.1 | -52.9 | 0 | 0 | 0 | 114 | S68 R485 | S68-D70 PolarHBondContact O-N 3.21Å; D70-R485 IonicContact OD1-CZ 2.6Å; D70-R485 IonicContact OD1-NE 3.31Å; D70-R485 PolarHBondContact OD1-NE 3.07Å; D70-R485 IonicContact OD1-NH2 3.76Å; D70-R485 PolarHBondContact OD1-NH2 2.73Å |
| 71 | Q | 60 | Low | 70.4 | Confident | 71 Ų | 71 | 55 Ų | 55 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -96.5 | 140 | 176.8 | -74.7 | 177.2 | -49.9 | 0 | 0 | 112.1 | S68 N73 | S68-Q71 PolarHBondContact O-N 3.06Å; Q71-N73 PolarHBondContact O-ND2 2.9Å |
| 72 | E | 62.7 | Low | 70.6 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | trans | -73.4 | 132.7 | 167.1 | -66.3 | 179.8 | -159 | 0 | 0 | 109 | F41 T483 | F41-E72 HydrophobicContact CB-CB 4.36Å; F41-E72 WeakPolarHBondContact CB-O 3.45Å; F41-E72 HydrophobicContact CD2-CB 4.32Å; F41-E72 WeakPolarHBondContact CD2-O 3.38Å; F41-E72 PolarHBondContact N-O 3.09Å; E72-T483 VanDerWaalsContact CD-OG1 3.3Å; E72-T483 WeakPolarHBondContact OE1-CB 3.35Å; E72-T483 PolarHBondContact OE1-OG1 3.34Å; E72-T483 WeakPolarHBondContact OE2-CB 3.28Å; E72-T483 WeakPolarHBondContact OE2-CG2 3.36Å; E72-T483 PolarHBondContact OE2-OG1 3.07Å | ||
| 73 | N | 68.2 | Low | 71.1 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 148.3 | 178.6 | -61.6 | -88.7 | 0 | 0 | 0 | 108.3 | L38 Y39 K40 Q71 I486 | L38-N73 HydrophobicContact CD1-CB 4.13Å; Y39-N73 WeakPolarHBondContact O-CA 3.42Å; K40-N73 WeakPolarHBondContact CA-OD1 3.44Å; K40-N73 WeakPolarHBondContact CG-OD1 3.19Å; Q71-N73 PolarHBondContact O-ND2 2.9Å; N73-I486 HydrophobicContact CB-CD1 3.99Å |
| 74 | S | 70.7 | Confident | 71.8 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 160.3 | 175.6 | -73.9 | 0 | 0 | 0 | 0 | 110.8 | Y39 | Y39-S74 PolarHBondContact N-O 2.69Å; Y39-S74 PolarHBondContact O-N 2.83Å |
| 75 | V | 73.8 | Confident | 72.7 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.7 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L36 L52 I492 S493 L494 V495 | L36-V75 HydrophobicContact CB-CG1 3.8Å; L36-V75 HydrophobicContact CD1-CG1 4.32Å; L36-V75 HydrophobicContact CD2-CG1 3.95Å; L36-V75 HydrophobicContact CG-CG1 4.23Å; L52-V75 HydrophobicContact CD1-CG1 3.88Å; L52-V75 HydrophobicContact CD1-CG2 4.35Å; V75-I492 HydrophobicContact CG2-CG2 4.01Å; V75-S493 PolarHBondContact N-O 3.23Å; V75-L494 HydrophobicContact CB-CD2 4.49Å; V75-V495 PolarHBondContact O-N 3.31Å |
| 76 | V | 75.1 | Confident | 73.7 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.2 | -177.3 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | L36 Q37 F48 R78 D497 | L36-V76 CarbonylContact C-O 3.33Å; L36-V76 WeakPolarHBondContact CA-O 3.47Å; Q37-V76 PolarHBondContact N-O 2.99Å; Q37-V76 PolarHBondContact O-N 3.41Å; F48-V76 HydrophobicContact CE1-CG2 4.31Å; V76-R78 HydrophobicContact CG1-CG 4.42Å; V76-D497 HydrophobicContact CG1-CB 3.92Å |
| 77 | L | 79.9 | Confident | 74.7 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.8 | 172.4 | -167.4 | 75.4 | 0 | 0 | 0 | 109.3 | L18 I21 L25 P27 L36 Y496 | L18-L77 HydrophobicContact CD1-CD1 3.74Å; I21-L77 HydrophobicContact CG2-CD1 4.35Å; L25-L77 HydrophobicContact CD1-CB 3.98Å; L25-L77 HydrophobicContact CD1-CD2 4.23Å; P27-L77 HydrophobicContact CB-CD2 3.85Å; P27-L77 HydrophobicContact CG-CD2 3.74Å; L36-L77 HydrophobicContact CD2-CD1 3.67Å; L77-Y496 HydrophobicContact CB-CD2 4.21Å; L77-Y496 HydrophobicContact CD2-CD2 4.08Å; L77-Y496 HydrophobicContact CD2-CE2 4.08Å |
| 78 | R | 77.3 | Confident | 75.8 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 12% | 0.117 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.1 | -178 | -81.5 | -75 | -175.2 | -126 | -18.7 | 111.3 | T35 Q37 Y51 V76 D497 E499 | T35-R78 HydrophobicContact CG2-CB 4.16Å; T35-R78 PolarHBondContact N-O 2.97Å; T35-R78 PolarHBondContact O-N 3.23Å; Q37-R78 HydrophobicContact CB-CG 4.22Å; Y51-R78 HydrophobicContact CE1-CB 4.06Å; Y51-R78 HydrophobicContact CE1-CG 4.4Å; V76-R78 HydrophobicContact CG1-CG 4.42Å; R78-D497 IonicContact CZ-OD2 3.43Å; R78-D497 IonicContact NH1-OD2 3.57Å; R78-D497 PolarHBondContact NH1-OD2 3.16Å; R78-D497 IonicContact NH2-OD2 2.66Å; R78-D497 PolarHBondContact NH2-OD2 2.83Å; R78-E499 IonicContact CZ-OE2 2.79Å; R78-E499 IonicContact NH1-OE2 3.82Å; R78-E499 PolarHBondContact NH1-OE2 3.38Å |
| 79 | T | 79.9 | Confident | 77.3 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 136.9 | 168.8 | -44.3 | 0 | 0 | 0 | 0 | 110.2 | H29 L81 V83 R84 | H29-T79 PolarHBondContact CD2-OG1 3.49Å; H29-T79 PolarHBondContact CE1-OG1 3.42Å; H29-T79 PolarHBondContact ND1-OG1 3.31Å; H29-T79 PolarHBondContact NE2-OG1 3.18Å; T79-L81 PolarHBondContact O-N 3.44Å; T79-V83 HydrophobicContact CG2-CB 4.13Å; T79-V83 HydrophobicContact CG2-CG1 4.07Å; T79-R84 HydrophobicContact CG2-CG 4.4Å; T79-R84 WeakPolarHBondContact O-CD 3.38Å |
| 80 | K | 83.4 | Confident | 78.9 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 33% | 0.326 | 24% | 0.236 | S | C | . | . | trans | -54 | 135.6 | 179.8 | -76.3 | 174.7 | -178 | 177.7 | 0 | 112 | E32 D33 S34 T35 V82 V83 R84 | E32-K80 WeakPolarHBondContact O-CD 3.48Å; E32-K80 VanDerWaalsContact O-CE 3.27Å; E32-K80 WeakPolarHBondContact O-CE 3.23Å; E32-K80 PolarHBondContact O-NZ 3.39Å; D33-K80 WeakPolarHBondContact O-CG 3.44Å; D33-K80 PolarHBondContact O-N 3.39Å; S34-K80 WeakPolarHBondContact O-CE 3.36Å; T35-K80 HydrophobicContact CG2-CG 4.22Å; K80-V82 VanDerWaalsContact C-N 3.3Å; K80-V82 PolarHBondContact O-N 3.43Å; K80-V83 HydrophobicContact CB-CG2 4.17Å; K80-V83 WeakPolarHBondContact O-CB 3.42Å; K80-V83 PolarHBondContact O-N 3.42Å; K80-R84 PolarHBondContact O-N 2.86Å | ||
| 81 | L | 84.9 | Confident | 80.4 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.6 | -42.5 | -177.3 | -67.4 | 166.1 | 0 | 0 | 0 | 113.1 | Y51 T79 V83 R84 V85 D116 L117 E120 R1194 | Y51-L81 HydrophobicContact CD2-CD1 3.92Å; Y51-L81 HydrophobicContact CD2-CG 4.45Å; Y51-L81 HydrophobicContact CE1-CD2 4.44Å; Y51-L81 HydrophobicContact CE1-CG 4.33Å; Y51-L81 HydrophobicContact CE2-CD1 3.89Å; Y51-L81 HydrophobicContact CE2-CD2 3.76Å; Y51-L81 HydrophobicContact CE2-CG 4.04Å; Y51-L81 HydrophobicContact CG-CD1 4.37Å; Y51-L81 WeakPolarHBondContact OH-CD2 3.49Å; T79-L81 PolarHBondContact O-N 3.44Å; L81-V83 VanDerWaalsContact C-N 3.27Å; L81-V83 PolarHBondContact O-N 3.1Å; L81-R84 PolarHBondContact O-N 3.46Å; L81-V85 PolarHBondContact O-N 2.89Å; L81-D116 HydrophobicContact CD1-CB 3.67Å; L81-D116 HydrophobicContact CD2-CB 4.13Å; L81-L117 HydrophobicContact CB-CD2 4.47Å; L81-L117 HydrophobicContact CD2-CD2 3.59Å; L81-L117 HydrophobicContact CD2-CG 4.05Å; L81-E120 HydrophobicContact CB-CG 3.81Å; L81-R1194 VanDerWaalsContact CD1-NH2 3.29Å |
| 82 | V | 85.4 | Confident | 81.8 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -52.6 | -41.9 | 174.1 | 167.8 | 0 | 0 | 0 | 0 | 112.7 | K80 K86 E120 H124 | K80-V82 VanDerWaalsContact C-N 3.3Å; K80-V82 PolarHBondContact O-N 3.43Å; V82-K86 HydrophobicContact CG1-CD 4.18Å; V82-K86 WeakPolarHBondContact O-CG 3.46Å; V82-K86 PolarHBondContact O-N 2.92Å; V82-K86 VanDerWaalsContact O-N 3.11Å; V82-E120 VanDerWaalsContact CG2-OE2 3.27Å; V82-E120 WeakPolarHBondContact CG2-OE2 3.4Å; V82-H124 WeakPolarHBondContact CG1-NE2 3.45Å |
| 83 | V | 85.1 | Confident | 83 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.9 | -43.5 | -178.9 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | T79 K80 L81 V85 K86 A87 | T79-V83 HydrophobicContact CG2-CB 4.13Å; T79-V83 HydrophobicContact CG2-CG1 4.07Å; K80-V83 HydrophobicContact CB-CG2 4.17Å; K80-V83 WeakPolarHBondContact O-CB 3.42Å; K80-V83 PolarHBondContact O-N 3.42Å; L81-V83 VanDerWaalsContact C-N 3.27Å; L81-V83 PolarHBondContact O-N 3.1Å; V83-V85 PolarHBondContact O-N 2.93Å; V83-K86 PolarHBondContact O-N 3.16Å; V83-A87 PolarHBondContact O-N 3.2Å; V83-A87 VanDerWaalsContact O-N 3.1Å |
| 84 | R | 86.4 | Confident | 83.9 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 28% | 0.275 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.2 | -69.2 | 172.6 | 63.1 | -158 | -3.9 | 111.9 | Y51 T79 K80 L81 A87 I88 D114 L117 | Y51-R84 PolarHBondContact OH-NH1 2.76Å; T79-R84 HydrophobicContact CG2-CG 4.4Å; T79-R84 WeakPolarHBondContact O-CD 3.38Å; K80-R84 PolarHBondContact O-N 2.86Å; L81-R84 PolarHBondContact O-N 3.46Å; R84-A87 PolarHBondContact O-N 3.19Å; R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.32Å; R84-I88 PolarHBondContact O-N 2.96Å; R84-D114 IonicContact CZ-OD2 3.81Å; R84-D114 VanDerWaalsContact CZ-OD2 3.3Å; R84-D114 IonicContact NH1-OD2 3.74Å; R84-D114 PolarHBondContact NH1-OD2 2.97Å; R84-D114 IonicContact NH2-OD2 2.67Å; R84-D114 PolarHBondContact NH2-OD2 3.34Å; R84-L117 HydrophobicContact CB-CD2 3.86Å |
| 85 | V | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 176.5 | 160.3 | 0 | 0 | 0 | 0 | 112.6 | L81 V83 A87 I88 I89 L117 E120 F121 H124 | L81-V85 PolarHBondContact O-N 2.89Å; V83-V85 PolarHBondContact O-N 2.93Å; V85-A87 VanDerWaalsContact C-N 3.33Å; V85-A87 PolarHBondContact O-N 3.32Å; V85-I88 WeakPolarHBondContact O-CB 3.26Å; V85-I88 PolarHBondContact O-N 3.16Å; V85-I88 VanDerWaalsContact O-N 3.16Å; V85-I89 HydrophobicContact CG1-CD1 3.8Å; V85-I89 HydrophobicContact CG1-CG1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.41Å; V85-I89 PolarHBondContact O-N 3.32Å; V85-L117 HydrophobicContact CG2-CB 4.26Å; V85-L117 HydrophobicContact CG2-CD2 3.89Å; V85-E120 HydrophobicContact CB-CB 4.26Å; V85-E120 HydrophobicContact CG2-CB 3.71Å; V85-F121 HydrophobicContact CG1-CB 4.25Å; V85-F121 HydrophobicContact CG1-CD2 4.3Å; V85-F121 HydrophobicContact CG2-CB 4.15Å; V85-H124 HydrophobicContact CG1-CB 4.01Å |
| 86 | K | 88.6 | Confident | 85.1 | Confident | 109 Ų | 109 | 52.4 Ų | 52.4 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.5 | -75 | 171.4 | -178.7 | 176.7 | 0 | 111.6 | V82 V83 I88 I89 E90 | V82-K86 HydrophobicContact CG1-CD 4.18Å; V82-K86 WeakPolarHBondContact O-CG 3.46Å; V82-K86 PolarHBondContact O-N 2.92Å; V82-K86 VanDerWaalsContact O-N 3.11Å; V83-K86 PolarHBondContact O-N 3.16Å; K86-I88 VanDerWaalsContact C-N 3.33Å; K86-I88 PolarHBondContact O-N 3Å; K86-I89 PolarHBondContact O-N 3.35Å; K86-E90 WeakPolarHBondContact O-CB 3.39Å; K86-E90 PolarHBondContact O-N 3.35Å |
| 87 | A | 86.1 | Confident | 85.5 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V83 R84 V85 K91 | V83-A87 PolarHBondContact O-N 3.2Å; V83-A87 VanDerWaalsContact O-N 3.1Å; R84-A87 PolarHBondContact O-N 3.19Å; V85-A87 VanDerWaalsContact C-N 3.33Å; V85-A87 PolarHBondContact O-N 3.32Å; A87-K91 VanDerWaalsContact O-CB 3.25Å; A87-K91 WeakPolarHBondContact O-CB 3.44Å; A87-K91 PolarHBondContact O-N 3.26Å |
| 88 | I | 88 | Confident | 85.7 | Confident | 28 Ų | 28 | 64.2 Ų | 64.2 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 172.4 | -69.1 | 162.1 | 0 | 0 | 0 | 110.5 | R84 V85 K86 K91 L92 L107 I110 L117 F121 | R84-I88 VanDerWaalsContact O-CG1 3.32Å; R84-I88 WeakPolarHBondContact O-CG1 3.32Å; R84-I88 PolarHBondContact O-N 2.96Å; V85-I88 WeakPolarHBondContact O-CB 3.26Å; V85-I88 PolarHBondContact O-N 3.16Å; V85-I88 VanDerWaalsContact O-N 3.16Å; K86-I88 VanDerWaalsContact C-N 3.33Å; K86-I88 PolarHBondContact O-N 3Å; I88-K91 PolarHBondContact O-N 2.95Å; I88-L92 HydrophobicContact CG2-CD1 3.93Å; I88-L92 HydrophobicContact CG2-CG 4.44Å; I88-L92 WeakPolarHBondContact O-CB 3.11Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.41Å; I88-L92 PolarHBondContact O-N 3Å; I88-L107 HydrophobicContact CG2-CD1 3.83Å; I88-I110 HydrophobicContact CD1-CG2 3.91Å; I88-L117 HydrophobicContact CD1-CD1 4.26Å; I88-F121 HydrophobicContact CG2-CD2 4.46Å; I88-F121 HydrophobicContact CG2-CE2 4.08Å |
| 89 | I | 89.6 | Confident | 86.1 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | -178.1 | -66.3 | 170.6 | 0 | 0 | 0 | 111.1 | V85 K86 L92 L93 F121 H124 C129 | V85-I89 HydrophobicContact CG1-CD1 3.8Å; V85-I89 HydrophobicContact CG1-CG1 4.45Å; V85-I89 WeakPolarHBondContact O-CG1 3.41Å; V85-I89 PolarHBondContact O-N 3.32Å; K86-I89 PolarHBondContact O-N 3.35Å; I89-L92 PolarHBondContact O-N 3.21Å; I89-L93 HydrophobicContact CG2-CD1 4.07Å; I89-L93 WeakPolarHBondContact O-CG 2.87Å; I89-L93 PolarHBondContact O-N 2.88Å; I89-L93 VanDerWaalsContact O-N 3.11Å; I89-F121 HydrophobicContact CD1-CD2 4.26Å; I89-F121 HydrophobicContact CD1-CE2 4.38Å; I89-F121 HydrophobicContact CG1-CD2 4.04Å; I89-F121 HydrophobicContact CG1-CE2 3.79Å; I89-H124 HydrophobicContact CD1-CB 4.15Å; I89-H124 VanDerWaalsContact CD1-O 3.27Å; I89-H124 WeakPolarHBondContact CD1-O 3.33Å; I89-C129 HydrophobicContact CG2-CB 4.25Å |
| 90 | E | 88.2 | Confident | 86.5 | Confident | 125 Ų | 125 | 67.4 Ų | 67.4 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.8 | -50.7 | 174.9 | -172.6 | 170.3 | -155.6 | 0 | 0 | 110.9 | K86 L92 L93 D94 | K86-E90 WeakPolarHBondContact O-CB 3.39Å; K86-E90 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 2.72Å; E90-L93 PolarHBondContact O-N 2.75Å; E90-L93 VanDerWaalsContact O-N 3.09Å; E90-D94 PolarHBondContact O-N 3.04Å |
| 91 | K | 87.9 | Confident | 86.5 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 38% | 0.383 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -34.7 | 176.5 | -171.2 | 169 | -173.5 | 171 | 0 | 113.3 | A87 I88 L93 A95 S103 | A87-K91 VanDerWaalsContact O-CB 3.25Å; A87-K91 WeakPolarHBondContact O-CB 3.44Å; A87-K91 PolarHBondContact O-N 3.26Å; I88-K91 PolarHBondContact O-N 2.95Å; K91-L93 VanDerWaalsContact C-N 3.33Å; K91-A95 WeakPolarHBondContact O-CB 3.42Å; K91-A95 PolarHBondContact O-N 3.28Å; K91-S103 WeakPolarHBondContact CE-OG 3.3Å |
| 92 | L | 89.5 | Confident | 86.6 | Confident | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.6 | -19.7 | 177.3 | -72.1 | 176.2 | 0 | 0 | 0 | 114 | I88 I89 E90 L100 L104 L107 L130 | I88-L92 HydrophobicContact CG2-CD1 3.93Å; I88-L92 HydrophobicContact CG2-CG 4.44Å; I88-L92 WeakPolarHBondContact O-CB 3.11Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.41Å; I88-L92 PolarHBondContact O-N 3Å; I89-L92 PolarHBondContact O-N 3.21Å; E90-L92 VanDerWaalsContact C-N 3.31Å; E90-L92 PolarHBondContact O-N 2.72Å; L92-L100 HydrophobicContact CD2-CD1 4.39Å; L92-L104 HydrophobicContact CD2-CD2 3.54Å; L92-L104 HydrophobicContact CD2-CG 3.84Å; L92-L107 HydrophobicContact CD1-CD1 4.37Å; L92-L107 HydrophobicContact CD1-CD2 3.88Å; L92-L130 HydrophobicContact CD1-CD2 4.47Å |
| 93 | L | 87.4 | Confident | 86.6 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -89 | -37.1 | 175.7 | -68.8 | 170.8 | 0 | 0 | 0 | 112.4 | I89 E90 K91 | I89-L93 HydrophobicContact CG2-CD1 4.07Å; I89-L93 WeakPolarHBondContact O-CG 2.87Å; I89-L93 PolarHBondContact O-N 2.88Å; I89-L93 VanDerWaalsContact O-N 3.11Å; E90-L93 PolarHBondContact O-N 2.75Å; E90-L93 VanDerWaalsContact O-N 3.09Å; K91-L93 VanDerWaalsContact C-N 3.33Å |
| 94 | D | 87.2 | Confident | 86.7 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -89.7 | -30.5 | -176.9 | -72.4 | -15.5 | 0 | 0 | 0 | 113.8 | E90 N96 | E90-D94 PolarHBondContact O-N 3.04Å; D94-N96 PolarHBondContact O-ND2 3.29Å |
| 95 | A | 86.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 72.1 Ų | 72.1 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | trans | -66.8 | 141 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K91 E99 L100 | K91-A95 WeakPolarHBondContact O-CB 3.42Å; K91-A95 PolarHBondContact O-N 3.28Å; A95-E99 HydrophobicContact CB-CB 4.18Å; A95-E99 HydrophobicContact CB-CG 3.87Å; A95-L100 HydrophobicContact CB-CB 4.29Å | ||
| 96 | N | 83.6 | Confident | 86.4 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 66% | 0.663 | 36% | 0.36 | S | S | * | . | trans | -130.6 | 154.5 | -176.4 | -84.9 | -87 | 0 | 0 | 0 | 112.5 | D94 R98 E99 | D94-N96 PolarHBondContact O-ND2 3.29Å; N96-R98 PolarHBondContact O-N 3.16Å; N96-R98 VanDerWaalsContact O-N 3.13Å; N96-E99 PolarHBondContact O-N 3.26Å; N96-E99 VanDerWaalsContact O-N 3.09Å | ||
| 97 | G | 82.8 | Confident | 86.4 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | 55.4 | -114.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K101 | G97-K101 PolarHBondContact O-N 2.94Å |
| 98 | R | 84.9 | Confident | 86.5 | Confident | 216 Ų | 216 | 68 Ų | 68 | 82% | 0.815 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.6 | -31.6 | -178.9 | -57.2 | -172.2 | -154.3 | 179.3 | 9 | 112.7 | N96 K101 R102 | N96-R98 PolarHBondContact O-N 3.16Å; N96-R98 VanDerWaalsContact O-N 3.13Å; R98-K101 PolarHBondContact O-N 3Å; R98-R102 WeakPolarHBondContact O-CG 3.22Å; R98-R102 PolarHBondContact O-N 2.69Å |
| 99 | E | 85.3 | Confident | 86.4 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72 | -40.7 | -178.9 | -171.2 | 177.4 | -168.6 | 0 | 0 | 111.3 | A95 N96 K101 R102 S103 | A95-E99 HydrophobicContact CB-CB 4.18Å; A95-E99 HydrophobicContact CB-CG 3.87Å; N96-E99 PolarHBondContact O-N 3.26Å; N96-E99 VanDerWaalsContact O-N 3.09Å; E99-K101 VanDerWaalsContact C-N 3.35Å; E99-R102 PolarHBondContact O-N 3.44Å; E99-S103 WeakPolarHBondContact O-CB 3.45Å; E99-S103 PolarHBondContact O-N 2.77Å; E99-S103 PolarHBondContact O-OG 3.44Å |
| 100 | L | 87.6 | Confident | 86.2 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 172.2 | -175.3 | 59.3 | 0 | 0 | 0 | 111.2 | L92 A95 R102 S103 L104 V133 I141 | L92-L100 HydrophobicContact CD2-CD1 4.39Å; A95-L100 HydrophobicContact CB-CB 4.29Å; L100-R102 PolarHBondContact O-N 3.03Å; L100-S103 PolarHBondContact O-N 3.34Å; L100-L104 HydrophobicContact CD1-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CG 4.14Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.22Å; L100-V133 HydrophobicContact CD1-CG1 4.29Å; L100-V133 HydrophobicContact CD2-CG1 4.09Å; L100-I141 HydrophobicContact CD2-CD1 4.3Å |
| 101 | K | 84.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 66.5 Ų | 66.5 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.7 | -74.5 | -174.4 | 176.6 | -172.3 | 0 | 112.5 | G97 R98 E99 F105 D138 N140 I141 Y144 | G97-K101 PolarHBondContact O-N 2.94Å; R98-K101 PolarHBondContact O-N 3Å; E99-K101 VanDerWaalsContact C-N 3.35Å; K101-F105 VanDerWaalsContact O-CB 3.24Å; K101-F105 WeakPolarHBondContact O-CB 3.47Å; K101-F105 PolarHBondContact O-N 2.96Å; K101-D138 WeakPolarHBondContact CE-OD2 3.17Å; K101-D138 IonicContact NZ-OD1 3.1Å; K101-D138 IonicContact NZ-OD2 2.76Å; K101-D138 PolarHBondContact NZ-OD2 2.89Å; K101-N140 PolarHBondContact NZ-ND2 3.11Å; K101-I141 HydrophobicContact CD-CG1 4.38Å; K101-I141 HydrophobicContact CG-CD1 4.09Å; K101-I141 HydrophobicContact CG-CG1 3.74Å; K101-Y144 HydrophobicContact CB-CE2 4.43Å; K101-Y144 HydrophobicContact CG-CE2 4.4Å |
| 102 | R | 85.3 | Confident | 86 | Confident | 155 Ų | 155 | 66.6 Ų | 66.6 | 59% | 0.585 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.2 | -50 | 172.5 | -75.3 | 174.2 | 174.9 | 166.5 | -6 | 111.9 | R98 E99 L100 L104 F105 S106 | R98-R102 WeakPolarHBondContact O-CG 3.22Å; R98-R102 PolarHBondContact O-N 2.69Å; E99-R102 PolarHBondContact O-N 3.44Å; L100-R102 PolarHBondContact O-N 3.03Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 3.44Å; R102-F105 PolarHBondContact O-N 3.15Å; R102-S106 PolarHBondContact O-N 2.94Å; R102-S106 PolarHBondContact O-OG 2.76Å |
| 103 | S | 85.8 | Confident | 85.5 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | -176.2 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | K91 E99 L100 L107 | K91-S103 WeakPolarHBondContact CE-OG 3.3Å; E99-S103 WeakPolarHBondContact O-CB 3.45Å; E99-S103 PolarHBondContact O-N 2.77Å; E99-S103 PolarHBondContact O-OG 3.44Å; L100-S103 PolarHBondContact O-N 3.34Å; S103-L107 PolarHBondContact O-N 3.24Å |
| 104 | L | 86.8 | Confident | 85.2 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.5 | -32.9 | 175.7 | -72.2 | 171.8 | 0 | 0 | 0 | 113.8 | L92 L100 R102 L107 L130 V133 I141 I145 | L92-L104 HydrophobicContact CD2-CD2 3.54Å; L92-L104 HydrophobicContact CD2-CG 3.84Å; L100-L104 HydrophobicContact CD1-CD1 3.84Å; L100-L104 HydrophobicContact CD1-CG 4.14Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 3.22Å; R102-L104 VanDerWaalsContact C-N 3.32Å; R102-L104 PolarHBondContact O-N 3.44Å; L104-L107 HydrophobicContact CD2-CD2 4.03Å; L104-L107 WeakPolarHBondContact O-CB 2.77Å; L104-L107 PolarHBondContact O-N 3.29Å; L104-L130 HydrophobicContact CD2-CD2 4.38Å; L104-V133 HydrophobicContact CD1-CG1 4.37Å; L104-I141 HydrophobicContact CD1-CG2 3.62Å; L104-I145 HydrophobicContact CD1-CD1 4.05Å; L104-I145 HydrophobicContact CD1-CG1 3.93Å; L104-I145 HydrophobicContact CD2-CD1 4.42Å; L104-I145 HydrophobicContact CD2-CG1 3.72Å; L104-I145 HydrophobicContact CG-CG1 4.43Å |
| 105 | F | 84.5 | Confident | 85 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 173.2 | -178.8 | -93.9 | 0 | 0 | 0 | 110.9 | K101 R102 L107 Y144 | K101-F105 VanDerWaalsContact O-CB 3.24Å; K101-F105 WeakPolarHBondContact O-CB 3.47Å; K101-F105 PolarHBondContact O-N 2.96Å; R102-F105 PolarHBondContact O-N 3.15Å; F105-L107 PolarHBondContact O-N 3.27Å; F105-Y144 HydrophobicContact CD2-CD1 4.19Å; F105-Y144 AromaticContact CD2-CE1 3.78Å; F105-Y144 HydrophobicContact CD2-CE1 3.78Å |
| 106 | S | 85.1 | Confident | 84.9 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.2 | -18.5 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 113.9 | R102 K108 Q109 I110 | R102-S106 PolarHBondContact O-N 2.94Å; R102-S106 PolarHBondContact O-OG 2.76Å; S106-K108 VanDerWaalsContact C-N 3.34Å; S106-K108 PolarHBondContact O-N 2.93Å; S106-Q109 PolarHBondContact O-N 3.05Å; S106-I110 WeakPolarHBondContact O-CG1 3.04Å; S106-I110 PolarHBondContact O-N 3.09Å |
| 107 | L | 88.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -35 | -172.8 | -170.9 | 64.5 | 0 | 0 | 0 | 113.4 | I88 L92 S103 L104 F105 I110 F111 L130 A148 | I88-L107 HydrophobicContact CG2-CD1 3.83Å; L92-L107 HydrophobicContact CD1-CD1 4.37Å; L92-L107 HydrophobicContact CD1-CD2 3.88Å; S103-L107 PolarHBondContact O-N 3.24Å; L104-L107 HydrophobicContact CD2-CD2 4.03Å; L104-L107 WeakPolarHBondContact O-CB 2.77Å; L104-L107 PolarHBondContact O-N 3.29Å; F105-L107 PolarHBondContact O-N 3.27Å; L107-I110 PolarHBondContact O-N 2.93Å; L107-F111 HydrophobicContact CD1-CD2 4.33Å; L107-F111 HydrophobicContact CD1-CE2 3.59Å; L107-F111 HydrophobicContact CD1-CZ 3.82Å; L107-F111 HydrophobicContact CD2-CE2 4.13Å; L107-F111 HydrophobicContact CG-CD2 4.17Å; L107-F111 HydrophobicContact CG-CE2 3.58Å; L107-F111 HydrophobicContact CG-CZ 4.31Å; L107-F111 WeakPolarHBondContact O-CD2 3.41Å; L107-F111 PolarHBondContact O-N 3.45Å; L107-L130 HydrophobicContact CD2-CD2 3.78Å; L107-A148 HydrophobicContact CB-CB 4.2Å; L107-A148 HydrophobicContact CD2-CB 3.93Å; L107-A148 HydrophobicContact CG-CB 4.04Å |
| 108 | K | 87.6 | Confident | 85.4 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.8 | -52.1 | 169.7 | 177.5 | -167.7 | 167.6 | -175.4 | 0 | 110 | S106 I110 F111 Q112 Q151 Q1299 | S106-K108 VanDerWaalsContact C-N 3.34Å; S106-K108 PolarHBondContact O-N 2.93Å; K108-I110 VanDerWaalsContact C-N 3.33Å; K108-I110 PolarHBondContact O-N 3.29Å; K108-F111 PolarHBondContact O-N 3.2Å; K108-Q112 WeakPolarHBondContact O-CB 3.33Å; K108-Q112 PolarHBondContact O-N 3.33Å; K108-Q112 VanDerWaalsContact O-N 3.09Å; K108-Q151 HydrophobicContact CG-CB 4.09Å; K108-Q151 HydrophobicContact CG-CG 4.17Å; K108-Q1299 VanDerWaalsContact NZ-CD 3.35Å; K108-Q1299 VanDerWaalsContact NZ-OE1 3.13Å |
| 109 | Q | 86.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.9 | -36.7 | -176.1 | -161.6 | 63.6 | 39.5 | 0 | 0 | 111.9 | S106 F111 Q112 D113 | S106-Q109 PolarHBondContact O-N 3.05Å; Q109-F111 PolarHBondContact O-N 2.92Å; Q109-Q112 CarbonylContact O-C 3.55Å; Q109-Q112 PolarHBondContact O-N 3.36Å; Q109-Q112 VanDerWaalsContact O-N 3.1Å; Q109-D113 PolarHBondContact NE2-OD1 2.77Å; Q109-D113 WeakPolarHBondContact O-CB 3.4Å; Q109-D113 PolarHBondContact O-N 3Å |
| 110 | I | 86.3 | Confident | 85.6 | Confident | 57 Ų | 57 | 45.9 Ų | 45.9 | 29% | 0.292 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -43 | 177.7 | -70.9 | 165.9 | 0 | 0 | 0 | 111.8 | I88 S106 L107 K108 Q112 D114 L117 | I88-I110 HydrophobicContact CD1-CG2 3.91Å; S106-I110 WeakPolarHBondContact O-CG1 3.04Å; S106-I110 PolarHBondContact O-N 3.09Å; L107-I110 PolarHBondContact O-N 2.93Å; K108-I110 VanDerWaalsContact C-N 3.33Å; K108-I110 PolarHBondContact O-N 3.29Å; I110-Q112 VanDerWaalsContact C-N 3.35Å; I110-D114 PolarHBondContact O-N 2.91Å; I110-L117 HydrophobicContact CG2-CD1 3.56Å |
| 111 | F | 86.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.9 | -24.1 | 175.5 | -64.2 | -50.9 | 0 | 0 | 0 | 113.5 | L107 K108 Q109 K115 L117 V118 F121 Q151 I152 Y155 | L107-F111 HydrophobicContact CD1-CD2 4.33Å; L107-F111 HydrophobicContact CD1-CE2 3.59Å; L107-F111 HydrophobicContact CD1-CZ 3.82Å; L107-F111 HydrophobicContact CD2-CE2 4.13Å; L107-F111 HydrophobicContact CG-CD2 4.17Å; L107-F111 HydrophobicContact CG-CE2 3.58Å; L107-F111 HydrophobicContact CG-CZ 4.31Å; L107-F111 WeakPolarHBondContact O-CD2 3.41Å; L107-F111 PolarHBondContact O-N 3.45Å; K108-F111 PolarHBondContact O-N 3.2Å; Q109-F111 PolarHBondContact O-N 2.92Å; F111-K115 WeakPolarHBondContact O-CA 3.48Å; F111-L117 HydrophobicContact CD1-CB 4.26Å; F111-L117 HydrophobicContact CE1-CB 4.35Å; F111-V118 HydrophobicContact CB-CG2 3.87Å; F111-V118 HydrophobicContact CD1-CG2 3.62Å; F111-V118 HydrophobicContact CE1-CG2 4.47Å; F111-V118 HydrophobicContact CG-CG2 3.98Å; F111-F121 HydrophobicContact CE1-CB 3.85Å; F111-F121 HydrophobicContact CE1-CD1 4.2Å; F111-F121 HydrophobicContact CE1-CD2 4.21Å; F111-F121 AromaticContact CE1-CG 3.84Å; F111-F121 HydrophobicContact CE1-CG 3.84Å; F111-F121 HydrophobicContact CE2-CD1 4.42Å; F111-F121 HydrophobicContact CE2-CE1 4.39Å; F111-F121 HydrophobicContact CZ-CB 4.08Å; F111-F121 AromaticContact CZ-CD1 3.58Å; F111-F121 HydrophobicContact CZ-CD1 3.58Å; F111-F121 AromaticContact CZ-CD2 3.76Å; F111-F121 HydrophobicContact CZ-CD2 3.76Å; F111-F121 AromaticContact CZ-CE1 3.86Å; F111-F121 HydrophobicContact CZ-CE1 3.86Å; F111-F121 HydrophobicContact CZ-CE2 4.02Å; F111-F121 AromaticContact CZ-CG 3.53Å; F111-F121 HydrophobicContact CZ-CG 3.53Å; F111-F121 HydrophobicContact CZ-CZ 4.06Å; F111-Q151 HydrophobicContact CB-CG 4.17Å; F111-I152 HydrophobicContact CD2-CD1 4.16Å; F111-I152 HydrophobicContact CD2-CG1 3.77Å; F111-I152 HydrophobicContact CE2-CD1 3.63Å; F111-I152 HydrophobicContact CE2-CG1 3.76Å; F111-I152 HydrophobicContact CG-CG1 4.34Å; F111-I152 HydrophobicContact CZ-CD1 4.11Å; F111-I152 HydrophobicContact CZ-CG1 4.32Å; F111-Y155 PolarHBondContact O-OH 3.22Å |
| 112 | Q | 83.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 42% | 0.421 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -76.2 | -42 | 175.4 | -171 | 170.6 | -21.1 | 0 | 0 | 112 | K108 Q109 I110 | K108-Q112 WeakPolarHBondContact O-CB 3.33Å; K108-Q112 PolarHBondContact O-N 3.33Å; K108-Q112 VanDerWaalsContact O-N 3.09Å; Q109-Q112 CarbonylContact O-C 3.55Å; Q109-Q112 PolarHBondContact O-N 3.36Å; Q109-Q112 VanDerWaalsContact O-N 3.1Å; I110-Q112 VanDerWaalsContact C-N 3.35Å |
| 113 | D | 80.3 | Confident | 86.3 | Confident | 92 Ų | 92 | 40.1 Ų | 40.1 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -74.1 | -48.1 | 178.5 | -76.8 | 14.6 | 0 | 0 | 0 | 111.8 | Q109 R1237 | Q109-D113 PolarHBondContact NE2-OD1 2.77Å; Q109-D113 WeakPolarHBondContact O-CB 3.4Å; Q109-D113 PolarHBondContact O-N 3Å; D113-R1237 IonicContact OD2-NH2 2.8Å; D113-R1237 PolarHBondContact OD2-NH2 2.95Å; D113-R1237 VanDerWaalsContact OD2-NH2 3.08Å |
| 114 | D | 80.5 | Confident | 86.5 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | trans | -122.4 | 82.4 | 176.6 | -165 | -24.1 | 0 | 0 | 0 | 111.6 | Y51 R84 I110 D116 L117 | Y51-D114 PolarHBondContact OH-OD2 3.24Å; R84-D114 IonicContact CZ-OD2 3.81Å; R84-D114 VanDerWaalsContact CZ-OD2 3.3Å; R84-D114 IonicContact NH1-OD2 3.74Å; R84-D114 PolarHBondContact NH1-OD2 2.97Å; R84-D114 IonicContact NH2-OD2 2.67Å; R84-D114 PolarHBondContact NH2-OD2 3.34Å; I110-D114 PolarHBondContact O-N 2.91Å; D114-D116 PolarHBondContact O-N 3.08Å; D114-D116 VanDerWaalsContact O-N 3.16Å; D114-D116 PolarHBondContact OD1-N 3.14Å; D114-D116 VanDerWaalsContact OD1-N 3.13Å; D114-L117 HydrophobicContact CB-CD1 3.86Å; D114-L117 HydrophobicContact CB-CG 4.07Å; D114-L117 VanDerWaalsContact O-CB 3.3Å; D114-L117 WeakPolarHBondContact O-CB 3.18Å; D114-L117 WeakPolarHBondContact O-CG 3.46Å; D114-L117 PolarHBondContact O-N 3.1Å; D114-L117 VanDerWaalsContact O-N 3.13Å | ||
| 115 | K | 84.3 | Confident | 86.6 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -29.3 | 174 | 71.4 | -166 | -161.8 | -164.6 | 0 | 115.5 | F111 L117 V118 Y155 G1195 | F111-K115 WeakPolarHBondContact O-CA 3.48Å; K115-L117 PolarHBondContact O-N 3.49Å; K115-V118 WeakPolarHBondContact O-CG2 3.46Å; K115-V118 PolarHBondContact O-N 2.81Å; K115-Y155 HydrophobicContact CB-CE1 3.86Å; K115-G1195 WeakPolarHBondContact CB-O 3.12Å; K115-G1195 VanDerWaalsContact CD-O 3.27Å; K115-G1195 WeakPolarHBondContact CD-O 3.49Å; K115-G1195 WeakPolarHBondContact CG-O 3.25Å; K115-G1195 VanDerWaalsContact O-CA 3.27Å; K115-G1195 WeakPolarHBondContact O-CA 3.49Å |
| 116 | D | 83 | Confident | 86.9 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.7 | -176.7 | -72.2 | -48.7 | 0 | 0 | 0 | 112.2 | Y51 L81 D114 V118 R1194 | Y51-D116 HydrophobicContact CD2-CB 4.23Å; Y51-D116 HydrophobicContact CE2-CB 4Å; L81-D116 HydrophobicContact CD1-CB 3.67Å; L81-D116 HydrophobicContact CD2-CB 4.13Å; D114-D116 PolarHBondContact O-N 3.08Å; D114-D116 VanDerWaalsContact O-N 3.16Å; D114-D116 PolarHBondContact OD1-N 3.14Å; D114-D116 VanDerWaalsContact OD1-N 3.13Å; D116-V118 VanDerWaalsContact C-N 3.29Å; D116-R1194 IonicContact OD1-NE 2.8Å |
| 117 | L | 88 | Confident | 87.3 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -25.7 | 169.6 | -64.6 | 172.1 | 0 | 0 | 0 | 112.8 | L81 R84 V85 I88 I110 F111 D114 K115 H119 E120 F121 | L81-L117 HydrophobicContact CB-CD2 4.47Å; L81-L117 HydrophobicContact CD2-CD2 3.59Å; L81-L117 HydrophobicContact CD2-CG 4.05Å; R84-L117 HydrophobicContact CB-CD2 3.86Å; V85-L117 HydrophobicContact CG2-CB 4.26Å; V85-L117 HydrophobicContact CG2-CD2 3.89Å; I88-L117 HydrophobicContact CD1-CD1 4.26Å; I110-L117 HydrophobicContact CG2-CD1 3.56Å; F111-L117 HydrophobicContact CD1-CB 4.26Å; F111-L117 HydrophobicContact CE1-CB 4.35Å; D114-L117 HydrophobicContact CB-CD1 3.86Å; D114-L117 HydrophobicContact CB-CG 4.07Å; D114-L117 VanDerWaalsContact O-CB 3.3Å; D114-L117 WeakPolarHBondContact O-CB 3.18Å; D114-L117 WeakPolarHBondContact O-CG 3.46Å; D114-L117 PolarHBondContact O-N 3.1Å; D114-L117 VanDerWaalsContact O-N 3.13Å; K115-L117 PolarHBondContact O-N 3.49Å; L117-H119 PolarHBondContact O-N 3.12Å; L117-E120 PolarHBondContact O-N 2.71Å; L117-F121 VanDerWaalsContact O-CB 3.25Å; L117-F121 WeakPolarHBondContact O-CB 3.46Å; L117-F121 PolarHBondContact O-N 3.49Å |
| 118 | V | 88.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | -172.2 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | F111 K115 D116 F121 V122 I152 Y155 | F111-V118 HydrophobicContact CB-CG2 3.87Å; F111-V118 HydrophobicContact CD1-CG2 3.62Å; F111-V118 HydrophobicContact CE1-CG2 4.47Å; F111-V118 HydrophobicContact CG-CG2 3.98Å; K115-V118 WeakPolarHBondContact O-CG2 3.46Å; K115-V118 PolarHBondContact O-N 2.81Å; D116-V118 VanDerWaalsContact C-N 3.29Å; V118-F121 PolarHBondContact O-N 2.86Å; V118-V122 WeakPolarHBondContact O-CG2 3.11Å; V118-V122 PolarHBondContact O-N 3.04Å; V118-I152 HydrophobicContact CG1-CG2 4.13Å; V118-Y155 HydrophobicContact CB-CD2 4.43Å; V118-Y155 HydrophobicContact CG1-CD2 4.2Å; V118-Y155 HydrophobicContact CG1-CG 4.4Å; V118-Y155 HydrophobicContact CG2-CD2 3.74Å; V118-Y155 HydrophobicContact CG2-CE2 3.99Å; V118-Y155 HydrophobicContact CG2-CG 4.19Å |
| 119 | H | 87.2 | Confident | 87.7 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 22% | 0.222 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.6 | -55 | 175.1 | -175.1 | 98.3 | 0 | 0 | 0 | 111.4 | L117 F121 V122 T123 D157 R1194 | L117-H119 PolarHBondContact O-N 3.12Å; H119-F121 VanDerWaalsContact C-N 3.28Å; H119-F121 PolarHBondContact O-N 3.06Å; H119-V122 WeakPolarHBondContact O-CB 3.31Å; H119-V122 PolarHBondContact O-N 2.88Å; H119-T123 PolarHBondContact O-N 3.34Å; H119-T123 PolarHBondContact O-OG1 3.02Å; H119-D157 HydrophobicContact CB-CB 4.16Å; H119-D157 WeakPolarHBondContact CB-OD2 3.48Å; H119-D157 IonicContact CE1-OD1 2.71Å; H119-D157 IonicContact CG-OD2 2.9Å; H119-D157 IonicContact ND1-OD1 3.34Å; H119-D157 PolarHBondContact ND1-OD1 3.32Å; H119-D157 IonicContact ND1-OD2 2.67Å; H119-D157 PolarHBondContact ND1-OD2 3.33Å; H119-R1194 HydrophobicContact CB-CG 4.13Å; H119-R1194 PolarHBondContact CD2-NH1 3.37Å |
| 120 | E | 88.6 | Confident | 88.1 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 12% | 0.121 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -34.7 | -177.9 | -59.2 | -58.4 | 149.2 | 0 | 0 | 112 | L81 V82 V85 L117 T123 H124 R1194 | L81-E120 HydrophobicContact CB-CG 3.81Å; V82-E120 VanDerWaalsContact CG2-OE2 3.27Å; V82-E120 WeakPolarHBondContact CG2-OE2 3.4Å; V85-E120 HydrophobicContact CB-CB 4.26Å; V85-E120 HydrophobicContact CG2-CB 3.71Å; L117-E120 PolarHBondContact O-N 2.71Å; E120-T123 PolarHBondContact O-N 3.1Å; E120-H124 WeakPolarHBondContact O-CB 3.47Å; E120-H124 PolarHBondContact O-N 3.09Å; E120-R1194 IonicContact OE1-CZ 3.08Å; E120-R1194 IonicContact OE1-NH1 3.67Å; E120-R1194 PolarHBondContact OE1-NH1 3.36Å; E120-R1194 IonicContact OE1-NH2 2.69Å; E120-R1194 PolarHBondContact OE1-NH2 3.06Å |
| 121 | F | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.8 | -37.3 | 177.3 | -174.4 | -96.4 | 0 | 0 | 0 | 112.4 | V85 I88 I89 F111 L117 V118 H119 G126 L127 L130 I152 | V85-F121 HydrophobicContact CG1-CB 4.25Å; V85-F121 HydrophobicContact CG1-CD2 4.3Å; V85-F121 HydrophobicContact CG2-CB 4.15Å; I88-F121 HydrophobicContact CG2-CD2 4.46Å; I88-F121 HydrophobicContact CG2-CE2 4.08Å; I89-F121 HydrophobicContact CD1-CD2 4.26Å; I89-F121 HydrophobicContact CD1-CE2 4.38Å; I89-F121 HydrophobicContact CG1-CD2 4.04Å; I89-F121 HydrophobicContact CG1-CE2 3.79Å; F111-F121 HydrophobicContact CE1-CB 3.85Å; F111-F121 HydrophobicContact CE1-CD1 4.2Å; F111-F121 HydrophobicContact CE1-CD2 4.21Å; F111-F121 AromaticContact CE1-CG 3.84Å; F111-F121 HydrophobicContact CE1-CG 3.84Å; F111-F121 HydrophobicContact CE2-CD1 4.42Å; F111-F121 HydrophobicContact CE2-CE1 4.39Å; F111-F121 HydrophobicContact CZ-CB 4.08Å; F111-F121 AromaticContact CZ-CD1 3.58Å; F111-F121 HydrophobicContact CZ-CD1 3.58Å; F111-F121 AromaticContact CZ-CD2 3.76Å; F111-F121 HydrophobicContact CZ-CD2 3.76Å; F111-F121 AromaticContact CZ-CE1 3.86Å; F111-F121 HydrophobicContact CZ-CE1 3.86Å; F111-F121 HydrophobicContact CZ-CE2 4.02Å; F111-F121 AromaticContact CZ-CG 3.53Å; F111-F121 HydrophobicContact CZ-CG 3.53Å; F111-F121 HydrophobicContact CZ-CZ 4.06Å; L117-F121 VanDerWaalsContact O-CB 3.25Å; L117-F121 WeakPolarHBondContact O-CB 3.46Å; L117-F121 PolarHBondContact O-N 3.49Å; V118-F121 PolarHBondContact O-N 2.86Å; H119-F121 VanDerWaalsContact C-N 3.28Å; H119-F121 PolarHBondContact O-N 3.06Å; F121-G126 VanDerWaalsContact CZ-CA 3.49Å; F121-G126 WeakPolarHBondContact CZ-O 3.36Å; F121-G126 VanDerWaalsContact O-CA 3.3Å; F121-G126 WeakPolarHBondContact O-CA 3.35Å; F121-G126 PolarHBondContact O-N 3.49Å; F121-L127 HydrophobicContact CE1-CD2 4.45Å; F121-L130 HydrophobicContact CE1-CD1 3.92Å; F121-L130 HydrophobicContact CE1-CG 4.13Å; F121-L130 HydrophobicContact CZ-CD1 4.23Å; F121-L130 HydrophobicContact CZ-CD2 4.32Å; F121-L130 HydrophobicContact CZ-CG 4.02Å; F121-I152 HydrophobicContact CD1-CD1 3.98Å; F121-I152 HydrophobicContact CE1-CD1 3.81Å |
| 122 | V | 90.5 | Very high | 88.6 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 19% | 0.194 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -52.9 | 168.7 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | V118 H119 H124 S125 L127 | V118-V122 WeakPolarHBondContact O-CG2 3.11Å; V118-V122 PolarHBondContact O-N 3.04Å; H119-V122 WeakPolarHBondContact O-CB 3.31Å; H119-V122 PolarHBondContact O-N 2.88Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3.5Å; V122-S125 PolarHBondContact O-N 3.13Å; V122-L127 HydrophobicContact CB-CD1 4.48Å; V122-L127 HydrophobicContact CG1-CD1 4.17Å; V122-L127 HydrophobicContact CG2-CD1 4.04Å; V122-L127 HydrophobicContact CG2-CD2 4.47Å; V122-L127 HydrophobicContact CG2-CG 4.29Å |
| 123 | T | 87.5 | Confident | 89 | Confident | 82 Ų | 82 | 33.3 Ų | 33.3 | 50% | 0.503 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -30.5 | -176 | -55 | 0 | 0 | 0 | 0 | 113.7 | H119 E120 | H119-T123 PolarHBondContact O-N 3.34Å; H119-T123 PolarHBondContact O-OG1 3.02Å; E120-T123 PolarHBondContact O-N 3.1Å |
| 124 | H | 90 | Very high | 89.5 | Confident | 61 Ų | 61 | 29 Ų | 29 | 28% | 0.282 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 28.4 | 178.9 | -73.2 | -45.1 | 0 | 0 | 0 | 114.7 | V82 V85 I89 E120 V122 G126 | V82-H124 WeakPolarHBondContact CG1-NE2 3.45Å; V85-H124 HydrophobicContact CG1-CB 4.01Å; I89-H124 HydrophobicContact CD1-CB 4.15Å; I89-H124 VanDerWaalsContact CD1-O 3.27Å; I89-H124 WeakPolarHBondContact CD1-O 3.33Å; E120-H124 WeakPolarHBondContact O-CB 3.47Å; E120-H124 PolarHBondContact O-N 3.09Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3.5Å; H124-G126 PolarHBondContact O-N 2.85Å |
| 125 | S | 88.9 | Confident | 89.9 | Confident | 69 Ų | 69 | 31.4 Ų | 31.4 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 23.4 | 175 | -58.1 | 0 | 0 | 0 | 0 | 115 | V122 L127 D128 C129 | V122-S125 PolarHBondContact O-N 3.13Å; S125-L127 PolarHBondContact O-N 2.94Å; S125-D128 PolarHBondContact O-N 2.64Å; S125-D128 VanDerWaalsContact O-N 3.09Å; S125-C129 PolarHBondContact O-N 3.46Å |
| 126 | G | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.2 | -28.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F121 H124 C129 L130 | F121-G126 VanDerWaalsContact CZ-CA 3.49Å; F121-G126 WeakPolarHBondContact CZ-O 3.36Å; F121-G126 VanDerWaalsContact O-CA 3.3Å; F121-G126 WeakPolarHBondContact O-CA 3.35Å; F121-G126 PolarHBondContact O-N 3.49Å; H124-G126 PolarHBondContact O-N 2.85Å; G126-C129 VanDerWaalsContact O-CB 3.31Å; G126-C129 WeakPolarHBondContact O-CB 3.26Å; G126-C129 PolarHBondContact O-N 2.87Å; G126-L130 WeakPolarHBondContact O-CG 3.45Å; G126-L130 PolarHBondContact O-N 3.38Å |
| 127 | L | 93.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 173.2 | -61.7 | -176.1 | 0 | 0 | 0 | 113.4 | F121 V122 S125 C129 L130 V131 I152 H165 I168 | F121-L127 HydrophobicContact CE1-CD2 4.45Å; V122-L127 HydrophobicContact CB-CD1 4.48Å; V122-L127 HydrophobicContact CG1-CD1 4.17Å; V122-L127 HydrophobicContact CG2-CD1 4.04Å; V122-L127 HydrophobicContact CG2-CD2 4.47Å; V122-L127 HydrophobicContact CG2-CG 4.29Å; S125-L127 PolarHBondContact O-N 2.94Å; L127-C129 VanDerWaalsContact C-N 3.31Å; L127-L130 PolarHBondContact O-N 2.84Å; L127-V131 PolarHBondContact O-N 2.86Å; L127-V131 VanDerWaalsContact O-N 3.1Å; L127-I152 HydrophobicContact CD2-CD1 4.23Å; L127-I152 HydrophobicContact CD2-CG2 4.31Å; L127-H165 HydrophobicContact CD1-CB 4.24Å; L127-I168 HydrophobicContact CB-CD1 3.8Å; L127-I168 HydrophobicContact CD1-CD1 3.74Å; L127-I168 HydrophobicContact CD2-CD1 4.09Å; L127-I168 HydrophobicContact CG-CD1 4.07Å |
| 128 | D | 91.3 | Very high | 90.3 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 172.8 | -75.2 | -69.5 | 0 | 0 | 0 | 111.6 | S125 V131 N132 H165 | S125-D128 PolarHBondContact O-N 2.64Å; S125-D128 VanDerWaalsContact O-N 3.09Å; D128-V131 PolarHBondContact O-N 3.29Å; D128-N132 VanDerWaalsContact O-CB 3.28Å; D128-N132 WeakPolarHBondContact O-CB 3.4Å; D128-N132 PolarHBondContact O-N 2.82Å; D128-H165 VanDerWaalsContact CB-NE2 3.31Å; D128-H165 WeakPolarHBondContact CB-NE2 3.42Å; D128-H165 PolarHBondContact N-NE2 3.43Å; D128-H165 IonicContact OD1-CE1 3.05Å; D128-H165 PolarHBondContact OD1-CE1 2.69Å; D128-H165 IonicContact OD1-NE2 2.73Å; D128-H165 PolarHBondContact OD1-NE2 3.01Å; D128-H165 IonicContact OD2-CD2 3.67Å; D128-H165 IonicContact OD2-CE1 3.31Å; D128-H165 CovalentContact OD2-NE2 1.77Å; D128-H165 IonicContact OD2-NE2 3.26Å; D128-H165 PolarHBondContact OD2-NE2 2.94Å |
| 129 | C | 92.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 173.1 | -176 | 0 | 0 | 0 | 0 | 111 | I89 S125 G126 L127 V131 N132 V133 | I89-C129 HydrophobicContact CG2-CB 4.25Å; S125-C129 PolarHBondContact O-N 3.46Å; G126-C129 VanDerWaalsContact O-CB 3.31Å; G126-C129 WeakPolarHBondContact O-CB 3.26Å; G126-C129 PolarHBondContact O-N 2.87Å; L127-C129 VanDerWaalsContact C-N 3.31Å; C129-V131 PolarHBondContact O-N 3.24Å; C129-N132 PolarHBondContact O-N 3.36Å; C129-V133 WeakPolarHBondContact O-CG2 3.39Å; C129-V133 PolarHBondContact O-N 3.45Å |
| 130 | L | 93.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 177.1 | -67.8 | -173.6 | 0 | 0 | 0 | 112.6 | L92 L104 L107 F121 G126 L127 G134 I145 I152 | L92-L130 HydrophobicContact CD1-CD2 4.47Å; L104-L130 HydrophobicContact CD2-CD2 4.38Å; L107-L130 HydrophobicContact CD2-CD2 3.78Å; F121-L130 HydrophobicContact CE1-CD1 3.92Å; F121-L130 HydrophobicContact CE1-CG 4.13Å; F121-L130 HydrophobicContact CZ-CD1 4.23Å; F121-L130 HydrophobicContact CZ-CD2 4.32Å; F121-L130 HydrophobicContact CZ-CG 4.02Å; G126-L130 WeakPolarHBondContact O-CG 3.45Å; G126-L130 PolarHBondContact O-N 3.38Å; L127-L130 PolarHBondContact O-N 2.84Å; L130-G134 PolarHBondContact O-N 3.48Å; L130-I145 HydrophobicContact CB-CG2 3.96Å; L130-I145 HydrophobicContact CD2-CG1 4.41Å; L130-I145 HydrophobicContact CD2-CG2 4.22Å; L130-I145 HydrophobicContact CG-CG2 4.46Å; L130-I152 HydrophobicContact CD1-CD1 3.85Å |
| 131 | V | 92.9 | Very high | 90.5 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L127 D128 C129 S135 I168 W171 | L127-V131 PolarHBondContact O-N 2.86Å; L127-V131 VanDerWaalsContact O-N 3.1Å; D128-V131 PolarHBondContact O-N 3.29Å; C129-V131 PolarHBondContact O-N 3.24Å; V131-S135 VanDerWaalsContact O-CB 3.23Å; V131-S135 WeakPolarHBondContact O-CB 3.36Å; V131-S135 PolarHBondContact O-N 3.03Å; V131-S135 PolarHBondContact O-OG 2.68Å; V131-I168 HydrophobicContact CG2-CB 4.39Å; V131-I168 HydrophobicContact CG2-CG1 3.66Å; V131-W171 HydrophobicContact CG1-CB 4.06Å; V131-W171 HydrophobicContact CG1-CG 4.19Å; V131-W171 HydrophobicContact CG2-CB 4.43Å; V131-W171 HydrophobicContact CG2-CE3 4.46Å |
| 132 | N | 91.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 35% | 0.348 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.7 | 177.5 | 49.5 | 0 | 0 | 0 | 112.7 | D128 C129 R136 | D128-N132 VanDerWaalsContact O-CB 3.28Å; D128-N132 WeakPolarHBondContact O-CB 3.4Å; D128-N132 PolarHBondContact O-N 2.82Å; C129-N132 PolarHBondContact O-N 3.36Å; N132-R136 WeakPolarHBondContact O-CG 3.46Å; N132-R136 VanDerWaalsContact OD1-CZ 3.28Å; N132-R136 PolarHBondContact OD1-NE 2.91Å; N132-R136 PolarHBondContact OD1-NH2 2.94Å |
| 133 | V | 91.4 | Very high | 90.5 | Very high | 17 Ų | 17 | 42.9 Ų | 42.9 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -49.7 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 110 | L100 L104 C129 S135 R136 S137 I141 I145 | L100-V133 HydrophobicContact CD1-CG1 4.29Å; L100-V133 HydrophobicContact CD2-CG1 4.09Å; L104-V133 HydrophobicContact CD1-CG1 4.37Å; C129-V133 WeakPolarHBondContact O-CG2 3.39Å; C129-V133 PolarHBondContact O-N 3.45Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.27Å; V133-R136 PolarHBondContact O-N 3.18Å; V133-R136 VanDerWaalsContact O-N 3.14Å; V133-S137 WeakPolarHBondContact O-CB 3.43Å; V133-S137 PolarHBondContact O-N 3.01Å; V133-S137 PolarHBondContact O-OG 3.49Å; V133-I141 HydrophobicContact CG1-CG2 4.28Å; V133-I145 HydrophobicContact CB-CD1 4.19Å; V133-I145 HydrophobicContact CG1-CD1 3.9Å |
| 134 | G | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -35.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L130 R136 Q142 | L130-G134 PolarHBondContact O-N 3.48Å; G134-R136 PolarHBondContact O-N 2.8Å; G134-Q142 WeakPolarHBondContact O-CG 3.29Å; G134-Q142 PolarHBondContact O-NE2 2.92Å |
| 135 | S | 90 | Very high | 90.9 | Very high | 71 Ų | 71 | 39 Ų | 39 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.8 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 114.4 | V131 V133 W171 | V131-S135 VanDerWaalsContact O-CB 3.23Å; V131-S135 WeakPolarHBondContact O-CB 3.36Å; V131-S135 PolarHBondContact O-N 3.03Å; V131-S135 PolarHBondContact O-OG 2.68Å; V133-S135 VanDerWaalsContact C-N 3.33Å; V133-S135 PolarHBondContact O-N 3.27Å; S135-W171 VanDerWaalsContact OG-CD1 3.24Å; S135-W171 PolarHBondContact OG-NE1 2.88Å |
| 136 | R | 85.5 | Confident | 91 | Very high | 199 Ų | 199 | 35.8 Ų | 35.8 | 75% | 0.751 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -1.6 | -176.4 | -59 | 177.3 | -165.4 | -131.6 | 3.9 | 114 | N132 V133 G134 | N132-R136 WeakPolarHBondContact O-CG 3.46Å; N132-R136 VanDerWaalsContact OD1-CZ 3.28Å; N132-R136 PolarHBondContact OD1-NE 2.91Å; N132-R136 PolarHBondContact OD1-NH2 2.94Å; V133-R136 PolarHBondContact O-N 3.18Å; V133-R136 VanDerWaalsContact O-N 3.14Å; G134-R136 PolarHBondContact O-N 2.8Å |
| 137 | S | 88.6 | Confident | 90.8 | Very high | 29 Ų | 29 | 38 Ų | 38 | 20% | 0.203 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -110.5 | 167.9 | -159.2 | -68.8 | 0 | 0 | 0 | 0 | 115.1 | V133 I141 Q142 | V133-S137 WeakPolarHBondContact O-CB 3.43Å; V133-S137 PolarHBondContact O-N 3.01Å; V133-S137 PolarHBondContact O-OG 3.49Å; S137-I141 WeakPolarHBondContact OG-CG2 3.21Å; S137-Q142 PolarHBondContact O-NE2 2.8Å |
| 138 | D | 89.3 | Confident | 90.7 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | trans | -68.9 | 164.3 | 171.1 | 83.8 | 2.3 | 0 | 0 | 0 | 112.4 | K101 N140 I141 Q142 | K101-D138 WeakPolarHBondContact CE-OD2 3.17Å; K101-D138 IonicContact NZ-OD1 3.1Å; K101-D138 IonicContact NZ-OD2 2.76Å; K101-D138 PolarHBondContact NZ-OD2 2.89Å; D138-N140 PolarHBondContact O-N 2.61Å; D138-N140 WeakPolarHBondContact OD1-CA 3.36Å; D138-N140 WeakPolarHBondContact OD1-CB 3.26Å; D138-N140 PolarHBondContact OD1-N 2.98Å; D138-N140 PolarHBondContact OD1-ND2 3.15Å; D138-N140 PolarHBondContact OD2-ND2 3.05Å; D138-I141 PolarHBondContact O-N 3.29Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.39Å; D138-I141 PolarHBondContact OD1-N 3.31Å; D138-Q142 WeakPolarHBondContact O-CG 3.19Å; D138-Q142 PolarHBondContact O-N 3.21Å | ||
| 139 | Q | 89.6 | Confident | 90.8 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61 | -25.9 | -179.1 | 56.2 | 70.7 | 24.2 | 0 | 0 | 113.9 | N143 F180 V183 | Q139-N143 VanDerWaalsContact O-CB 3.23Å; Q139-N143 WeakPolarHBondContact O-CB 3.35Å; Q139-N143 PolarHBondContact O-N 3.27Å; Q139-F180 HydrophobicContact CB-CB 4.21Å; Q139-F180 HydrophobicContact CB-CD1 4.31Å; Q139-F180 HydrophobicContact CB-CD2 3.48Å; Q139-F180 VanDerWaalsContact CB-CD2 3.48Å; Q139-F180 HydrophobicContact CB-CE2 3.85Å; Q139-F180 HydrophobicContact CB-CG 3.73Å; Q139-F180 HydrophobicContact CB-CZ 4.4Å; Q139-F180 HydrophobicContact CG-CD1 3.78Å; Q139-F180 HydrophobicContact CG-CD2 3.74Å; Q139-F180 HydrophobicContact CG-CE1 3.81Å; Q139-F180 HydrophobicContact CG-CE2 3.76Å; Q139-F180 HydrophobicContact CG-CG 3.74Å; Q139-F180 HydrophobicContact CG-CZ 3.79Å; Q139-V183 HydrophobicContact CB-CG2 4.03Å |
| 140 | N | 88.3 | Confident | 90.5 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69.6 | -48 | 178.4 | -51.6 | -74.1 | 0 | 0 | 0 | 109.5 | K101 D138 N143 Y144 | K101-N140 PolarHBondContact NZ-ND2 3.11Å; D138-N140 PolarHBondContact O-N 2.61Å; D138-N140 WeakPolarHBondContact OD1-CA 3.36Å; D138-N140 WeakPolarHBondContact OD1-CB 3.26Å; D138-N140 PolarHBondContact OD1-N 2.98Å; D138-N140 PolarHBondContact OD1-ND2 3.15Å; D138-N140 PolarHBondContact OD2-ND2 3.05Å; N140-N143 WeakPolarHBondContact O-CB 3.48Å; N140-N143 PolarHBondContact O-N 2.87Å; N140-Y144 HydrophobicContact CB-CE2 4.27Å; N140-Y144 WeakPolarHBondContact O-CD2 3.33Å; N140-Y144 PolarHBondContact O-N 3.12Å |
| 141 | I | 90.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 177.1 | -72.9 | 161.1 | 0 | 0 | 0 | 110.5 | L100 K101 L104 V133 S137 D138 N143 Y144 I145 | L100-I141 HydrophobicContact CD2-CD1 4.3Å; K101-I141 HydrophobicContact CD-CG1 4.38Å; K101-I141 HydrophobicContact CG-CD1 4.09Å; K101-I141 HydrophobicContact CG-CG1 3.74Å; L104-I141 HydrophobicContact CD1-CG2 3.62Å; V133-I141 HydrophobicContact CG1-CG2 4.28Å; S137-I141 WeakPolarHBondContact OG-CG2 3.21Å; D138-I141 PolarHBondContact O-N 3.29Å; D138-I141 WeakPolarHBondContact OD1-CG1 3.39Å; D138-I141 PolarHBondContact OD1-N 3.31Å; I141-N143 VanDerWaalsContact C-N 3.3Å; I141-N143 PolarHBondContact O-N 3.26Å; I141-Y144 PolarHBondContact O-N 3.01Å; I141-I145 HydrophobicContact CG2-CD1 3.79Å; I141-I145 VanDerWaalsContact O-CG1 3.29Å; I141-I145 WeakPolarHBondContact O-CG1 3.47Å; I141-I145 PolarHBondContact O-N 2.6Å |
| 142 | Q | 92.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 172.8 | -71.5 | 178.1 | -15.8 | 0 | 0 | 111.3 | G134 S137 D138 I145 L146 W171 | G134-Q142 WeakPolarHBondContact O-CG 3.29Å; G134-Q142 PolarHBondContact O-NE2 2.92Å; S137-Q142 PolarHBondContact O-NE2 2.8Å; D138-Q142 WeakPolarHBondContact O-CG 3.19Å; D138-Q142 PolarHBondContact O-N 3.21Å; Q142-I145 PolarHBondContact O-N 3.04Å; Q142-L146 VanDerWaalsContact O-CG 3.23Å; Q142-L146 WeakPolarHBondContact O-CG 3.2Å; Q142-L146 PolarHBondContact O-N 3.28Å; Q142-W171 HydrophobicContact CG-CZ2 4.45Å |
| 143 | N | 89.8 | Confident | 90 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.032 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 177 | -172.6 | -32 | 0 | 0 | 0 | 112.2 | Q139 N140 I141 I145 L146 R147 L182 | Q139-N143 VanDerWaalsContact O-CB 3.23Å; Q139-N143 WeakPolarHBondContact O-CB 3.35Å; Q139-N143 PolarHBondContact O-N 3.27Å; N140-N143 WeakPolarHBondContact O-CB 3.48Å; N140-N143 PolarHBondContact O-N 2.87Å; I141-N143 VanDerWaalsContact C-N 3.3Å; I141-N143 PolarHBondContact O-N 3.26Å; N143-I145 VanDerWaalsContact C-N 3.3Å; N143-I145 PolarHBondContact O-N 2.92Å; N143-L146 PolarHBondContact O-N 3.06Å; N143-L146 VanDerWaalsContact O-N 3.12Å; N143-R147 PolarHBondContact O-N 3.08Å; N143-R147 VanDerWaalsContact OD1-CZ 3.23Å; N143-R147 PolarHBondContact OD1-NE 3.37Å; N143-R147 PolarHBondContact OD1-NH1 2.81Å; N143-L182 WeakPolarHBondContact ND2-CD2 3.4Å |
| 144 | Y | 91.6 | Very high | 89.6 | Confident | 63 Ų | 63 | 32.4 Ų | 32.4 | 25% | 0.247 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 174.6 | -59.2 | -43 | 0 | 0 | 0 | 112.3 | K101 F105 N140 I141 R147 A148 | K101-Y144 HydrophobicContact CB-CE2 4.43Å; K101-Y144 HydrophobicContact CG-CE2 4.4Å; F105-Y144 HydrophobicContact CD2-CD1 4.19Å; F105-Y144 AromaticContact CD2-CE1 3.78Å; F105-Y144 HydrophobicContact CD2-CE1 3.78Å; N140-Y144 HydrophobicContact CB-CE2 4.27Å; N140-Y144 WeakPolarHBondContact O-CD2 3.33Å; N140-Y144 PolarHBondContact O-N 3.12Å; I141-Y144 PolarHBondContact O-N 3.01Å; Y144-R147 PolarHBondContact O-N 3.45Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.18Å |
| 145 | I | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.4 | -68.1 | 165.1 | 0 | 0 | 0 | 111.3 | L104 L130 V133 I141 Q142 N143 A148 L149 W171 | L104-I145 HydrophobicContact CD1-CD1 4.05Å; L104-I145 HydrophobicContact CD1-CG1 3.93Å; L104-I145 HydrophobicContact CD2-CD1 4.42Å; L104-I145 HydrophobicContact CD2-CG1 3.72Å; L104-I145 HydrophobicContact CG-CG1 4.43Å; L130-I145 HydrophobicContact CB-CG2 3.96Å; L130-I145 HydrophobicContact CD2-CG1 4.41Å; L130-I145 HydrophobicContact CD2-CG2 4.22Å; L130-I145 HydrophobicContact CG-CG2 4.46Å; V133-I145 HydrophobicContact CB-CD1 4.19Å; V133-I145 HydrophobicContact CG1-CD1 3.9Å; I141-I145 HydrophobicContact CG2-CD1 3.79Å; I141-I145 VanDerWaalsContact O-CG1 3.29Å; I141-I145 WeakPolarHBondContact O-CG1 3.47Å; I141-I145 PolarHBondContact O-N 2.6Å; Q142-I145 PolarHBondContact O-N 3.04Å; N143-I145 VanDerWaalsContact C-N 3.3Å; N143-I145 PolarHBondContact O-N 2.92Å; I145-A148 PolarHBondContact O-N 3.38Å; I145-L149 VanDerWaalsContact O-CB 3.23Å; I145-L149 WeakPolarHBondContact O-CB 3.4Å; I145-L149 PolarHBondContact O-N 3.24Å; I145-W171 HydrophobicContact CB-CH2 4.25Å; I145-W171 HydrophobicContact CG2-CH2 3.56Å; I145-W171 HydrophobicContact CG2-CZ2 4.49Å; I145-W171 HydrophobicContact CG2-CZ3 3.98Å |
| 146 | L | 92.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.5 | -38.2 | 176.7 | -69.1 | 168.3 | 0 | 0 | 0 | 112.2 | Q142 N143 L149 G150 W171 L172 L175 V183 T186 L190 | Q142-L146 VanDerWaalsContact O-CG 3.23Å; Q142-L146 WeakPolarHBondContact O-CG 3.2Å; Q142-L146 PolarHBondContact O-N 3.28Å; N143-L146 PolarHBondContact O-N 3.06Å; N143-L146 VanDerWaalsContact O-N 3.12Å; L146-L149 PolarHBondContact O-N 3.16Å; L146-G150 PolarHBondContact O-N 2.96Å; L146-W171 HydrophobicContact CD2-CH2 4Å; L146-W171 HydrophobicContact CD2-CZ3 3.86Å; L146-W171 HydrophobicContact CG-CH2 4.22Å; L146-L172 HydrophobicContact CD2-CD2 3.39Å; L146-L175 HydrophobicContact CD1-CD1 4.11Å; L146-L175 HydrophobicContact CD2-CD1 3.93Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; L146-V183 HydrophobicContact CD1-CG1 4.04Å; L146-T186 HydrophobicContact CB-CG2 3.78Å; L146-T186 HydrophobicContact CD1-CG2 4.38Å; L146-L190 HydrophobicContact CB-CD1 4.35Å; L146-L190 HydrophobicContact CD2-CD1 3.86Å |
| 147 | R | 88 | Confident | 88.6 | Confident | 45 Ų | 45 | 22.5 Ų | 22.5 | 17% | 0.17 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -39.2 | 174.3 | -73.7 | -177.9 | 173.4 | 130 | -15.4 | 111.8 | N143 Y144 Q151 D1296 | N143-R147 PolarHBondContact O-N 3.08Å; N143-R147 VanDerWaalsContact OD1-CZ 3.23Å; N143-R147 PolarHBondContact OD1-NE 3.37Å; N143-R147 PolarHBondContact OD1-NH1 2.81Å; Y144-R147 PolarHBondContact O-N 3.45Å; R147-Q151 PolarHBondContact O-N 3.42Å; R147-Q151 VanDerWaalsContact O-N 3.08Å; R147-D1296 IonicContact CZ-OD1 2.65Å; R147-D1296 IonicContact NE-OD1 2.75Å; R147-D1296 IonicContact NH2-OD1 3.62Å; R147-D1296 PolarHBondContact NH2-OD1 3.34Å; R147-D1296 IonicContact NH2-OD2 3.44Å; R147-D1296 PolarHBondContact NH2-OD2 2.86Å |
| 148 | A | 90.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.2 | -40.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L107 Y144 I145 Q151 I152 | L107-A148 HydrophobicContact CB-CB 4.2Å; L107-A148 HydrophobicContact CD2-CB 3.93Å; L107-A148 HydrophobicContact CG-CB 4.04Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.18Å; I145-A148 PolarHBondContact O-N 3.38Å; A148-Q151 WeakPolarHBondContact O-CB 3.45Å; A148-Q151 PolarHBondContact O-N 3.07Å; A148-I152 WeakPolarHBondContact O-CG1 3.36Å; A148-I152 PolarHBondContact O-N 3.25Å |
| 149 | L | 92.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 174.8 | 178.7 | 62.3 | 0 | 0 | 0 | 111.7 | I145 L146 Q151 I152 M153 V162 I168 W171 L172 L190 | I145-L149 VanDerWaalsContact O-CB 3.23Å; I145-L149 WeakPolarHBondContact O-CB 3.4Å; I145-L149 PolarHBondContact O-N 3.24Å; L146-L149 PolarHBondContact O-N 3.16Å; L149-Q151 VanDerWaalsContact C-N 3.35Å; L149-I152 WeakPolarHBondContact O-CB 3.07Å; L149-I152 PolarHBondContact O-N 3.34Å; L149-M153 HydrophobicContact CD1-CG 4.35Å; L149-M153 HydrophobicContact CD1-SD 4.38Å; L149-M153 HydrophobicContact CG-SD 4.12Å; L149-M153 WeakPolarHBondContact O-CB 3.36Å; L149-M153 VanDerWaalsContact O-CG 3.31Å; L149-M153 WeakPolarHBondContact O-CG 3.39Å; L149-M153 PolarHBondContact O-N 2.86Å; L149-V162 HydrophobicContact CD1-CG2 3.98Å; L149-I168 HydrophobicContact CD1-CG2 4.31Å; L149-I168 HydrophobicContact CD2-CG2 3.75Å; L149-W171 HydrophobicContact CD2-CZ3 4.23Å; L149-L172 HydrophobicContact CD2-CD1 4.35Å; L149-L172 HydrophobicContact CD2-CD2 4.12Å; L149-L172 HydrophobicContact CD2-CG 4.44Å; L149-L190 HydrophobicContact CD2-CD1 4.16Å; L149-L190 HydrophobicContact CG-CD1 4.31Å |
| 150 | G | 88 | Confident | 88.2 | Confident | 10 Ų | 10 | 17.5 Ų | 17.5 | 10% | 0.103 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | L146 I152 M153 L154 | L146-G150 PolarHBondContact O-N 2.96Å; G150-I152 PolarHBondContact O-N 2.98Å; G150-M153 PolarHBondContact O-N 3.14Å; G150-L154 WeakPolarHBondContact O-CG 3.5Å; G150-L154 PolarHBondContact O-N 3.05Å; G150-L154 VanDerWaalsContact O-N 3.09Å |
| 151 | Q | 88.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 15.5 Ų | 15.5 | 5% | 0.047 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 174.1 | -167.4 | 61.5 | 31.4 | 0 | 0 | 111.6 | K108 F111 R147 A148 L149 M153 L154 Y155 | K108-Q151 HydrophobicContact CG-CB 4.09Å; K108-Q151 HydrophobicContact CG-CG 4.17Å; F111-Q151 HydrophobicContact CB-CG 4.17Å; R147-Q151 PolarHBondContact O-N 3.42Å; R147-Q151 VanDerWaalsContact O-N 3.08Å; A148-Q151 WeakPolarHBondContact O-CB 3.45Å; A148-Q151 PolarHBondContact O-N 3.07Å; L149-Q151 VanDerWaalsContact C-N 3.35Å; Q151-M153 PolarHBondContact O-N 3.05Å; Q151-L154 PolarHBondContact O-N 2.99Å; Q151-Y155 HydrophobicContact CG-CE2 4.16Å; Q151-Y155 PolarHBondContact NE2-OH 3.33Å; Q151-Y155 VanDerWaalsContact NE2-OH 3.07Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.43Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.45Å |
| 152 | I | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 173.1 | -70.5 | 166.4 | 0 | 0 | 0 | 111 | F111 V118 F121 L127 L130 A148 L149 G150 L154 Y155 G158 | F111-I152 HydrophobicContact CD2-CD1 4.16Å; F111-I152 HydrophobicContact CD2-CG1 3.77Å; F111-I152 HydrophobicContact CE2-CD1 3.63Å; F111-I152 HydrophobicContact CE2-CG1 3.76Å; F111-I152 HydrophobicContact CG-CG1 4.34Å; F111-I152 HydrophobicContact CZ-CD1 4.11Å; F111-I152 HydrophobicContact CZ-CG1 4.32Å; V118-I152 HydrophobicContact CG1-CG2 4.13Å; F121-I152 HydrophobicContact CD1-CD1 3.98Å; F121-I152 HydrophobicContact CE1-CD1 3.81Å; L127-I152 HydrophobicContact CD2-CD1 4.23Å; L127-I152 HydrophobicContact CD2-CG2 4.31Å; L130-I152 HydrophobicContact CD1-CD1 3.85Å; A148-I152 WeakPolarHBondContact O-CG1 3.36Å; A148-I152 PolarHBondContact O-N 3.25Å; L149-I152 WeakPolarHBondContact O-CB 3.07Å; L149-I152 PolarHBondContact O-N 3.34Å; G150-I152 PolarHBondContact O-N 2.98Å; I152-L154 PolarHBondContact O-N 2.88Å; I152-Y155 PolarHBondContact O-N 3.43Å; I152-G158 VanDerWaalsContact CG2-CA 3.47Å; I152-G158 WeakPolarHBondContact O-CA 3.29Å |
| 153 | M | 88.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66 | -16.1 | -178.5 | -74.5 | 177.4 | 68.7 | 0 | 0 | 114 | L149 G150 Q151 Y155 M159 V162 L190 L193 F194 I1198 | L149-M153 HydrophobicContact CD1-CG 4.35Å; L149-M153 HydrophobicContact CD1-SD 4.38Å; L149-M153 HydrophobicContact CG-SD 4.12Å; L149-M153 WeakPolarHBondContact O-CB 3.36Å; L149-M153 VanDerWaalsContact O-CG 3.31Å; L149-M153 WeakPolarHBondContact O-CG 3.39Å; L149-M153 PolarHBondContact O-N 2.86Å; G150-M153 PolarHBondContact O-N 3.14Å; Q151-M153 PolarHBondContact O-N 3.05Å; M153-Y155 VanDerWaalsContact C-N 3.27Å; M153-M159 HydrophobicContact CB-CE 4.16Å; M153-M159 HydrophobicContact CE-CE 3.71Å; M153-M159 HydrophobicContact CE-SD 4.08Å; M153-V162 HydrophobicContact CG-CB 4.49Å; M153-V162 HydrophobicContact CG-CG2 3.75Å; M153-V162 HydrophobicContact SD-CG1 4.44Å; M153-V162 HydrophobicContact SD-CG2 4.24Å; M153-L190 WeakPolarHBondContact CE-O 3.44Å; M153-L190 HydrophobicContact SD-CB 4.35Å; M153-L190 HydrophobicContact SD-CD2 4.1Å; M153-L193 HydrophobicContact CB-CD2 4.09Å; M153-L193 HydrophobicContact CE-CB 4.47Å; M153-L193 HydrophobicContact CE-CD2 4.3Å; M153-L193 HydrophobicContact CE-CG 4.4Å; M153-F194 HydrophobicContact CE-CB 3.9Å; M153-I1198 WeakPolarHBondContact O-CD1 3.42Å |
| 154 | L | 83.7 | Confident | 87.4 | Confident | 38 Ų | 38 | 18.8 Ų | 18.8 | 20% | 0.199 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -10.5 | 170.2 | -70 | 174.4 | 0 | 0 | 0 | 113.3 | G150 Q151 I152 L1197 I1198 | G150-L154 WeakPolarHBondContact O-CG 3.5Å; G150-L154 PolarHBondContact O-N 3.05Å; G150-L154 VanDerWaalsContact O-N 3.09Å; Q151-L154 PolarHBondContact O-N 2.99Å; I152-L154 PolarHBondContact O-N 2.88Å; L154-L1197 HydrophobicContact CB-CD2 3.68Å; L154-L1197 HydrophobicContact CD1-CD2 4.45Å; L154-L1197 CarbonylContact O-C 3.55Å; L154-L1197 WeakPolarHBondContact O-CA 3.22Å; L154-I1198 WeakPolarHBondContact O-CG1 3.41Å; L154-I1198 PolarHBondContact O-N 3.3Å |
| 155 | Y | 83.1 | Confident | 87.2 | Confident | 5 Ų | 5 | 16.8 Ų | 16.8 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -103.3 | 145.3 | 173.1 | -56.7 | -86.8 | 0 | 0 | 0 | 110.8 | F111 K115 V118 Q151 I152 M153 D157 G158 M159 G1195 L1197 | F111-Y155 PolarHBondContact O-OH 3.22Å; K115-Y155 HydrophobicContact CB-CE1 3.86Å; V118-Y155 HydrophobicContact CB-CD2 4.43Å; V118-Y155 HydrophobicContact CG1-CD2 4.2Å; V118-Y155 HydrophobicContact CG1-CG 4.4Å; V118-Y155 HydrophobicContact CG2-CD2 3.74Å; V118-Y155 HydrophobicContact CG2-CE2 3.99Å; V118-Y155 HydrophobicContact CG2-CG 4.19Å; Q151-Y155 HydrophobicContact CG-CE2 4.16Å; Q151-Y155 PolarHBondContact NE2-OH 3.33Å; Q151-Y155 VanDerWaalsContact NE2-OH 3.07Å; Q151-Y155 WeakPolarHBondContact O-CD2 3.43Å; Q151-Y155 WeakPolarHBondContact O-CE2 3.45Å; I152-Y155 PolarHBondContact O-N 3.43Å; M153-Y155 VanDerWaalsContact C-N 3.27Å; Y155-D157 PolarHBondContact O-N 3.02Å; Y155-G158 PolarHBondContact O-N 3.47Å; Y155-M159 PolarHBondContact O-N 3.33Å; Y155-G1195 VanDerWaalsContact CD1-C 3.49Å; Y155-G1195 WeakPolarHBondContact CD1-O 3.48Å; Y155-G1195 VanDerWaalsContact CE1-O 3.31Å; Y155-G1195 WeakPolarHBondContact CE1-O 3.42Å; Y155-L1197 HydrophobicContact CD1-CD2 4.19Å; Y155-L1197 HydrophobicContact CD1-CG 4.28Å; Y155-L1197 HydrophobicContact CE1-CD2 3.68Å; Y155-L1197 HydrophobicContact CE1-CG 3.72Å; Y155-L1197 HydrophobicContact CE2-CD2 4.07Å |
| 156 | V | 79.1 | Confident | 86.7 | Confident | 35 Ų | 35 | 17.6 Ų | 17.6 | 21% | 0.212 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | -177.1 | 177.4 | 0 | 0 | 0 | 0 | 112.3 | G158 M159 A160 T1193 I1198 | V156-G158 VanDerWaalsContact C-N 3.29Å; V156-G158 PolarHBondContact O-N 3.29Å; V156-M159 PolarHBondContact O-N 3.09Å; V156-A160 VanDerWaalsContact O-CB 3.24Å; V156-A160 WeakPolarHBondContact O-CB 3.46Å; V156-A160 PolarHBondContact O-N 2.8Å; V156-T1193 HydrophobicContact CB-CG2 4.34Å; V156-T1193 HydrophobicContact CG2-CG2 3.93Å; V156-I1198 HydrophobicContact CG2-CG1 3.9Å |
| 157 | D | 82.8 | Confident | 86.5 | Confident | 21 Ų | 21 | 20.7 Ų | 20.7 | 11% | 0.112 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.4 | -36 | 174.1 | -83.2 | -43.1 | 0 | 0 | 0 | 112.5 | H119 Y155 G161 R1194 | H119-D157 HydrophobicContact CB-CB 4.16Å; H119-D157 WeakPolarHBondContact CB-OD2 3.48Å; H119-D157 IonicContact CE1-OD1 2.71Å; H119-D157 IonicContact CG-OD2 2.9Å; H119-D157 IonicContact ND1-OD1 3.34Å; H119-D157 PolarHBondContact ND1-OD1 3.32Å; H119-D157 IonicContact ND1-OD2 2.67Å; H119-D157 PolarHBondContact ND1-OD2 3.33Å; Y155-D157 PolarHBondContact O-N 3.02Å; D157-G161 PolarHBondContact O-N 3.35Å; D157-R1194 WeakPolarHBondContact OD2-CA 3.48Å; D157-R1194 WeakPolarHBondContact OD2-CB 3.44Å |
| 158 | G | 87.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.6 | -45.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I152 Y155 V156 G161 V162 | I152-G158 VanDerWaalsContact CG2-CA 3.47Å; I152-G158 WeakPolarHBondContact O-CA 3.29Å; Y155-G158 PolarHBondContact O-N 3.47Å; V156-G158 VanDerWaalsContact C-N 3.29Å; V156-G158 PolarHBondContact O-N 3.29Å; G158-G161 PolarHBondContact O-N 2.79Å; G158-V162 WeakPolarHBondContact O-CG2 3.04Å; G158-V162 PolarHBondContact O-N 3.16Å |
| 159 | M | 87.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 172.8 | -179.5 | 61.6 | 78.1 | 0 | 0 | 111.6 | M153 Y155 V156 G161 V162 I163 L193 F194 Y197 I1198 | M153-M159 HydrophobicContact CB-CE 4.16Å; M153-M159 HydrophobicContact CE-CE 3.71Å; M153-M159 HydrophobicContact CE-SD 4.08Å; Y155-M159 PolarHBondContact O-N 3.33Å; V156-M159 PolarHBondContact O-N 3.09Å; M159-G161 VanDerWaalsContact C-N 3.3Å; M159-G161 PolarHBondContact O-N 3.24Å; M159-V162 PolarHBondContact O-N 3.5Å; M159-V162 VanDerWaalsContact O-N 3.1Å; M159-I163 HydrophobicContact CG-CD1 4.22Å; M159-I163 WeakPolarHBondContact O-CG1 3.36Å; M159-I163 PolarHBondContact O-N 2.87Å; M159-L193 HydrophobicContact CE-CG 4.03Å; M159-F194 HydrophobicContact SD-CD2 3.99Å; M159-Y197 HydrophobicContact CB-CE2 4.39Å; M159-Y197 HydrophobicContact CE-CD2 4.18Å; M159-Y197 HydrophobicContact CE-CG 4.08Å; M159-Y197 HydrophobicContact CG-CD1 3.53Å; M159-Y197 HydrophobicContact CG-CD2 3.77Å; M159-Y197 HydrophobicContact CG-CE1 3.6Å; M159-Y197 HydrophobicContact CG-CE2 3.85Å; M159-Y197 HydrophobicContact CG-CG 3.61Å; M159-Y197 HydrophobicContact SD-CD1 4.27Å; M159-Y197 HydrophobicContact SD-CG 4.11Å; M159-I1198 HydrophobicContact CB-CD1 4.39Å |
| 160 | A | 83.6 | Confident | 86.9 | Confident | 40 Ų | 40 | 20.5 Ų | 20.5 | 33% | 0.331 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -57.5 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | V156 V162 I163 E164 | V156-A160 VanDerWaalsContact O-CB 3.24Å; V156-A160 WeakPolarHBondContact O-CB 3.46Å; V156-A160 PolarHBondContact O-N 2.8Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 PolarHBondContact O-N 3.47Å; A160-I163 WeakPolarHBondContact O-CB 3.46Å; A160-I163 PolarHBondContact O-N 2.87Å; A160-I163 VanDerWaalsContact O-N 3.07Å; A160-E164 WeakPolarHBondContact O-CG 3.47Å; A160-E164 PolarHBondContact O-N 2.93Å |
| 161 | G | 85.7 | Confident | 87.2 | Confident | 5 Ų | 5 | 20.5 Ų | 20.5 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.9 | -44.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D157 G158 M159 E164 H165 | D157-G161 PolarHBondContact O-N 3.35Å; G158-G161 PolarHBondContact O-N 2.79Å; M159-G161 VanDerWaalsContact C-N 3.3Å; M159-G161 PolarHBondContact O-N 3.24Å; G161-E164 PolarHBondContact O-N 3.38Å; G161-H165 WeakPolarHBondContact O-CB 3.28Å; G161-H165 PolarHBondContact O-N 3.41Å |
| 162 | V | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -34.2 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 112.4 | L149 M153 G158 M159 A160 H165 I168 L169 F194 | L149-V162 HydrophobicContact CD1-CG2 3.98Å; M153-V162 HydrophobicContact CG-CB 4.49Å; M153-V162 HydrophobicContact CG-CG2 3.75Å; M153-V162 HydrophobicContact SD-CG1 4.44Å; M153-V162 HydrophobicContact SD-CG2 4.24Å; G158-V162 WeakPolarHBondContact O-CG2 3.04Å; G158-V162 PolarHBondContact O-N 3.16Å; M159-V162 PolarHBondContact O-N 3.5Å; M159-V162 VanDerWaalsContact O-N 3.1Å; A160-V162 VanDerWaalsContact C-N 3.32Å; A160-V162 PolarHBondContact O-N 3.47Å; V162-H165 PolarHBondContact O-N 2.97Å; V162-I168 HydrophobicContact CB-CD1 4.42Å; V162-I168 HydrophobicContact CG1-CD1 4.48Å; V162-I168 HydrophobicContact CG1-CG2 4.09Å; V162-I168 HydrophobicContact CG2-CD1 3.87Å; V162-L169 HydrophobicContact CG1-CD2 4.08Å; V162-F194 HydrophobicContact CG1-CD2 3.83Å; V162-F194 HydrophobicContact CG1-CE2 4.02Å |
| 163 | I | 87.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 20 Ų | 20 | 17% | 0.174 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 174.3 | -68.4 | 168.3 | 0 | 0 | 0 | 111.3 | M159 A160 H165 F194 Y197 I204 | M159-I163 HydrophobicContact CG-CD1 4.22Å; M159-I163 WeakPolarHBondContact O-CG1 3.36Å; M159-I163 PolarHBondContact O-N 2.87Å; A160-I163 WeakPolarHBondContact O-CB 3.46Å; A160-I163 PolarHBondContact O-N 2.87Å; A160-I163 VanDerWaalsContact O-N 3.07Å; I163-H165 VanDerWaalsContact C-N 3.27Å; I163-H165 PolarHBondContact O-N 2.92Å; I163-F194 HydrophobicContact CB-CE2 4.32Å; I163-F194 HydrophobicContact CG1-CD2 4.43Å; I163-F194 HydrophobicContact CG1-CE2 3.56Å; I163-F194 HydrophobicContact CG1-CZ 4.19Å; I163-Y197 HydrophobicContact CD1-CD1 3.94Å; I163-Y197 HydrophobicContact CD1-CE1 3.87Å; I163-I204 HydrophobicContact CG2-CD1 3.78Å |
| 164 | E | 83.3 | Confident | 88 | Confident | 83 Ų | 83 | 21.2 Ų | 21.2 | 39% | 0.388 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -6.2 | 177.1 | -50 | -151 | 149.7 | 0 | 0 | 113.8 | A160 G161 P166 L348 T350 | A160-E164 WeakPolarHBondContact O-CG 3.47Å; A160-E164 PolarHBondContact O-N 2.93Å; G161-E164 PolarHBondContact O-N 3.38Å; E164-P166 VanDerWaalsContact O-CD 3.3Å; E164-P166 WeakPolarHBondContact O-CD 3.18Å; E164-L348 HydrophobicContact CB-CD2 4.34Å; E164-L348 HydrophobicContact CG-CD2 3.75Å; E164-T350 PolarHBondContact O-OG1 2.75Å |
| 165 | H | 86.4 | Confident | 88.5 | Confident | 22 Ų | 22 | 19.9 Ų | 19.9 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | trans | -121 | 79.8 | -167.6 | -156.6 | -65.1 | 0 | 0 | 0 | 113.5 | L127 D128 G161 V162 I163 N167 I168 | L127-H165 HydrophobicContact CD1-CB 4.24Å; D128-H165 VanDerWaalsContact CB-NE2 3.31Å; D128-H165 WeakPolarHBondContact CB-NE2 3.42Å; D128-H165 PolarHBondContact N-NE2 3.43Å; D128-H165 IonicContact OD1-CE1 3.05Å; D128-H165 PolarHBondContact OD1-CE1 2.69Å; D128-H165 IonicContact OD1-NE2 2.73Å; D128-H165 PolarHBondContact OD1-NE2 3.01Å; D128-H165 IonicContact OD2-CD2 3.67Å; D128-H165 IonicContact OD2-CE1 3.31Å; D128-H165 CovalentContact OD2-NE2 1.77Å; D128-H165 IonicContact OD2-NE2 3.26Å; D128-H165 PolarHBondContact OD2-NE2 2.94Å; G161-H165 WeakPolarHBondContact O-CB 3.28Å; G161-H165 PolarHBondContact O-N 3.41Å; V162-H165 PolarHBondContact O-N 2.97Å; I163-H165 VanDerWaalsContact C-N 3.27Å; I163-H165 PolarHBondContact O-N 2.92Å; H165-N167 WeakPolarHBondContact CE1-CB 3.31Å; H165-N167 PolarHBondContact O-N 2.86Å; H165-I168 HydrophobicContact CB-CD1 3.78Å; H165-I168 HydrophobicContact CB-CG1 4.44Å; H165-I168 PolarHBondContact O-N 3.49Å | ||
| 166 | P | 83.2 | Confident | 89 | Confident | 16 Ų | 16 | 20 Ų | 20 | 10% | 0.104 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.2 | -12.7 | -173.3 | 28.9 | -37.9 | 0 | 0 | 0 | 114.2 | E164 R170 M354 | E164-P166 VanDerWaalsContact O-CD 3.3Å; E164-P166 WeakPolarHBondContact O-CD 3.18Å; P166-R170 VanDerWaalsContact O-CG 3.28Å; P166-R170 WeakPolarHBondContact O-CG 3.47Å; P166-R170 PolarHBondContact O-N 2.88Å; P166-R170 VanDerWaalsContact O-N 3.16Å; P166-M354 HydrophobicContact CB-CE 3.8Å; P166-M354 HydrophobicContact CB-SD 4.19Å; P166-M354 HydrophobicContact CG-CE 3.74Å; P166-M354 HydrophobicContact CG-SD 4.22Å |
| 167 | N | 89 | Confident | 89.6 | Confident | 66 Ų | 66 | 22.2 Ų | 22.2 | 35% | 0.353 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -71.9 | -32 | 177.4 | -65.6 | -23.9 | 0 | 0 | 0 | 111.8 | H165 R170 W171 | H165-N167 WeakPolarHBondContact CE1-CB 3.31Å; H165-N167 PolarHBondContact O-N 2.86Å; N167-R170 PolarHBondContact OD1-NH1 2.7Å; N167-W171 VanDerWaalsContact O-CB 3.31Å; N167-W171 WeakPolarHBondContact O-CB 3.37Å; N167-W171 PolarHBondContact O-N 3.31Å |
| 168 | I | 93.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 172.8 | -65.8 | 162 | 0 | 0 | 0 | 110.6 | L127 V131 L149 V162 H165 R170 W171 L172 | L127-I168 HydrophobicContact CB-CD1 3.8Å; L127-I168 HydrophobicContact CD1-CD1 3.74Å; L127-I168 HydrophobicContact CD2-CD1 4.09Å; L127-I168 HydrophobicContact CG-CD1 4.07Å; V131-I168 HydrophobicContact CG2-CB 4.39Å; V131-I168 HydrophobicContact CG2-CG1 3.66Å; L149-I168 HydrophobicContact CD1-CG2 4.31Å; L149-I168 HydrophobicContact CD2-CG2 3.75Å; V162-I168 HydrophobicContact CB-CD1 4.42Å; V162-I168 HydrophobicContact CG1-CD1 4.48Å; V162-I168 HydrophobicContact CG1-CG2 4.09Å; V162-I168 HydrophobicContact CG2-CD1 3.87Å; H165-I168 HydrophobicContact CB-CD1 3.78Å; H165-I168 HydrophobicContact CB-CG1 4.44Å; H165-I168 PolarHBondContact O-N 3.49Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 2.98Å; I168-W171 PolarHBondContact O-N 3.47Å; I168-W171 VanDerWaalsContact O-N 3.13Å; I168-L172 HydrophobicContact CG2-CD1 3.88Å; I168-L172 HydrophobicContact CG2-CG 4.19Å; I168-L172 WeakPolarHBondContact O-CB 3.22Å; I168-L172 WeakPolarHBondContact O-CG 3.28Å; I168-L172 PolarHBondContact O-N 2.69Å |
| 169 | L | 92.2 | Very high | 90 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.1 | -58.5 | 175.7 | 0 | 0 | 0 | 111.6 | V162 Y173 F194 I204 | V162-L169 HydrophobicContact CG1-CD2 4.08Å; L169-Y173 VanDerWaalsContact O-CB 3.27Å; L169-Y173 WeakPolarHBondContact O-CB 3.25Å; L169-Y173 PolarHBondContact O-N 2.73Å; L169-F194 HydrophobicContact CD1-CD1 4.3Å; L169-F194 HydrophobicContact CD1-CE1 3.56Å; L169-F194 HydrophobicContact CD1-CE2 4.12Å; L169-F194 HydrophobicContact CD1-CZ 3.47Å; L169-F194 VanDerWaalsContact CD1-CZ 3.47Å; L169-F194 HydrophobicContact CD2-CB 4.44Å; L169-F194 HydrophobicContact CD2-CD1 3.65Å; L169-F194 HydrophobicContact CD2-CD2 3.86Å; L169-F194 HydrophobicContact CD2-CE1 3.78Å; L169-F194 HydrophobicContact CD2-CE2 3.97Å; L169-F194 HydrophobicContact CD2-CG 3.7Å; L169-F194 HydrophobicContact CD2-CZ 3.95Å; L169-F194 HydrophobicContact CG-CE1 4.33Å; L169-F194 HydrophobicContact CG-CZ 4.31Å; L169-I204 HydrophobicContact CD1-CG2 3.72Å |
| 170 | R | 92.8 | Very high | 90.1 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 172.1 | -70.3 | 170.2 | -171.3 | 134.6 | 4.7 | 112.2 | P166 N167 I168 S174 Y212 M354 | P166-R170 VanDerWaalsContact O-CG 3.28Å; P166-R170 WeakPolarHBondContact O-CG 3.47Å; P166-R170 PolarHBondContact O-N 2.88Å; P166-R170 VanDerWaalsContact O-N 3.16Å; N167-R170 PolarHBondContact OD1-NH1 2.7Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 2.98Å; R170-S174 WeakPolarHBondContact O-CB 3.47Å; R170-S174 PolarHBondContact O-N 2.77Å; R170-Y212 HydrophobicContact CB-CD2 4.2Å; R170-M354 PolarHBondContact NH2-SD 3.42Å |
| 171 | W | 94.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 4% | 0.038 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -51.3 | 177.8 | 179.5 | 64.9 | 0 | 0 | 0 | 111.3 | V131 S135 Q142 I145 L146 L149 N167 I168 Y173 S174 L175 | V131-W171 HydrophobicContact CG1-CB 4.06Å; V131-W171 HydrophobicContact CG1-CG 4.19Å; V131-W171 HydrophobicContact CG2-CB 4.43Å; V131-W171 HydrophobicContact CG2-CE3 4.46Å; S135-W171 VanDerWaalsContact OG-CD1 3.24Å; S135-W171 PolarHBondContact OG-NE1 2.88Å; Q142-W171 HydrophobicContact CG-CZ2 4.45Å; I145-W171 HydrophobicContact CB-CH2 4.25Å; I145-W171 HydrophobicContact CG2-CH2 3.56Å; I145-W171 HydrophobicContact CG2-CZ2 4.49Å; I145-W171 HydrophobicContact CG2-CZ3 3.98Å; L146-W171 HydrophobicContact CD2-CH2 4Å; L146-W171 HydrophobicContact CD2-CZ3 3.86Å; L146-W171 HydrophobicContact CG-CH2 4.22Å; L149-W171 HydrophobicContact CD2-CZ3 4.23Å; N167-W171 VanDerWaalsContact O-CB 3.31Å; N167-W171 WeakPolarHBondContact O-CB 3.37Å; N167-W171 PolarHBondContact O-N 3.31Å; I168-W171 PolarHBondContact O-N 3.47Å; I168-W171 VanDerWaalsContact O-N 3.13Å; W171-Y173 VanDerWaalsContact C-N 3.29Å; W171-Y173 PolarHBondContact O-N 3Å; W171-S174 WeakPolarHBondContact O-CA 3.1Å; W171-S174 WeakPolarHBondContact O-CB 3.38Å; W171-S174 PolarHBondContact O-N 2.96Å; W171-S174 PolarHBondContact O-OG 3.34Å; W171-L175 HydrophobicContact CD2-CD1 4.16Å; W171-L175 HydrophobicContact CE3-CD1 4.35Å; W171-L175 HydrophobicContact CH2-CD1 4Å; W171-L175 HydrophobicContact CZ2-CD1 3.79Å; W171-L175 HydrophobicContact CZ3-CD1 4.28Å; W171-L175 WeakPolarHBondContact O-CG 3.47Å; W171-L175 PolarHBondContact O-N 3.48Å |
| 172 | L | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.1 | -43.9 | 174 | -71.5 | 175.2 | 0 | 0 | 0 | 112.1 | L146 L149 I168 L175 A187 L190 Q191 | L146-L172 HydrophobicContact CD2-CD2 3.39Å; L149-L172 HydrophobicContact CD2-CD1 4.35Å; L149-L172 HydrophobicContact CD2-CD2 4.12Å; L149-L172 HydrophobicContact CD2-CG 4.44Å; I168-L172 HydrophobicContact CG2-CD1 3.88Å; I168-L172 HydrophobicContact CG2-CG 4.19Å; I168-L172 WeakPolarHBondContact O-CB 3.22Å; I168-L172 WeakPolarHBondContact O-CG 3.28Å; I168-L172 PolarHBondContact O-N 2.69Å; L172-L175 PolarHBondContact O-N 2.97Å; L172-A187 HydrophobicContact CD2-CB 4.49Å; L172-L190 HydrophobicContact CD1-CB 4.17Å; L172-L190 HydrophobicContact CD2-CB 4.3Å; L172-L190 HydrophobicContact CD2-CD1 4.03Å; L172-Q191 HydrophobicContact CB-CG 4Å; L172-Q191 HydrophobicContact CD1-CG 4.44Å; L172-Q191 PolarHBondContact O-NE2 3.36Å |
| 173 | Y | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.4 | -177.1 | -99.7 | 0 | 0 | 0 | 112.3 | L169 W171 L175 L176 F205 V209 Y212 H213 W223 Y225 L226 | L169-Y173 VanDerWaalsContact O-CB 3.27Å; L169-Y173 WeakPolarHBondContact O-CB 3.25Å; L169-Y173 PolarHBondContact O-N 2.73Å; 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 2.76Å; Y173-L176 HydrophobicContact CD2-CD1 3.75Å; Y173-L176 HydrophobicContact CE2-CD1 4.03Å; Y173-L176 VanDerWaalsContact O-CB 3.29Å; Y173-L176 WeakPolarHBondContact O-CB 3.46Å; Y173-L176 WeakPolarHBondContact O-CG 3.26Å; Y173-L176 PolarHBondContact O-N 3.48Å; Y173-F205 HydrophobicContact CD2-CE2 4.38Å; Y173-F205 HydrophobicContact CD2-CZ 4.4Å; Y173-V209 HydrophobicContact CD2-CG2 3.7Å; Y173-V209 HydrophobicContact CE1-CG1 4.21Å; Y173-V209 HydrophobicContact CE2-CG1 4.06Å; Y173-V209 HydrophobicContact CE2-CG2 3.74Å; Y173-V209 HydrophobicContact CG-CG2 4.14Å; Y173-Y212 AromaticContact CD1-CD1 3.85Å; Y173-Y212 HydrophobicContact CD1-CD1 3.85Å; Y173-Y212 HydrophobicContact CD1-CE1 4.34Å; Y173-Y212 HydrophobicContact CD1-CG 4.05Å; Y173-Y212 AromaticContact CE1-CD1 3.89Å; Y173-Y212 HydrophobicContact CE1-CD1 3.89Å; Y173-Y212 HydrophobicContact CE1-CE1 4.38Å; Y173-Y212 HydrophobicContact CE1-CG 4.49Å; Y173-H213 AromaticContact CE1-CD2 3.9Å; Y173-H213 AromaticContact CE1-NE2 3.38Å; Y173-H213 WeakPolarHBondContact CE1-NE2 2.9Å; Y173-H213 AromaticContact CZ-NE2 3.68Å; Y173-H213 PolarHBondContact OH-NE2 3.42Å; Y173-H213 VanDerWaalsContact OH-NE2 3.13Å; Y173-W223 WeakPolarHBondContact OH-CA 3.3Å; Y173-W223 PolarHBondContact OH-N 3.37Å; Y173-Y225 AromaticContact CD1-CD2 3.81Å; Y173-Y225 HydrophobicContact CD1-CD2 3.81Å; Y173-Y225 HydrophobicContact CD1-CE2 4.09Å; Y173-Y225 AromaticContact CE1-CD2 3.31Å; Y173-Y225 HydrophobicContact CE1-CD2 3.31Å; Y173-Y225 AromaticContact CE1-CE2 3.74Å; Y173-Y225 HydrophobicContact CE1-CE2 3.74Å; Y173-Y225 HydrophobicContact CE1-CG 4.06Å; Y173-Y225 HydrophobicContact CE2-CD2 4.39Å; Y173-Y225 AromaticContact CZ-CD2 3.65Å; Y173-Y225 AromaticContact CZ-CG 3.99Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.15Å; Y173-L226 HydrophobicContact CE2-CD1 4.48Å |
| 174 | S | 93.4 | Very high | 90.6 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 175.8 | 79.3 | 0 | 0 | 0 | 0 | 113.2 | R170 W171 L176 T177 Y212 | R170-S174 WeakPolarHBondContact O-CB 3.47Å; R170-S174 PolarHBondContact O-N 2.77Å; W171-S174 WeakPolarHBondContact O-CA 3.1Å; W171-S174 WeakPolarHBondContact O-CB 3.38Å; W171-S174 PolarHBondContact O-N 2.96Å; W171-S174 PolarHBondContact O-OG 3.34Å; S174-L176 PolarHBondContact O-N 3.07Å; S174-L176 VanDerWaalsContact O-N 3.14Å; S174-T177 PolarHBondContact O-N 3.5Å; S174-T177 VanDerWaalsContact O-N 3.11Å; S174-T177 PolarHBondContact O-OG1 3.32Å; S174-Y212 WeakPolarHBondContact CB-OH 3.37Å |
| 175 | L | 94.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -65.4 | -14 | 178.3 | -66.1 | 176.4 | 0 | 0 | 0 | 113.5 | L146 W171 L172 Y173 T177 S178 V183 A187 | L146-L175 HydrophobicContact CD1-CD1 4.11Å; L146-L175 HydrophobicContact CD2-CD1 3.93Å; L146-L175 HydrophobicContact CG-CD1 4.39Å; W171-L175 HydrophobicContact CD2-CD1 4.16Å; W171-L175 HydrophobicContact CE3-CD1 4.35Å; W171-L175 HydrophobicContact CH2-CD1 4Å; W171-L175 HydrophobicContact CZ2-CD1 3.79Å; W171-L175 HydrophobicContact CZ3-CD1 4.28Å; W171-L175 WeakPolarHBondContact O-CG 3.47Å; W171-L175 PolarHBondContact O-N 3.48Å; L172-L175 PolarHBondContact O-N 2.97Å; Y173-L175 VanDerWaalsContact C-N 3.3Å; Y173-L175 PolarHBondContact O-N 2.76Å; L175-T177 PolarHBondContact O-N 2.65Å; L175-S178 WeakPolarHBondContact O-CB 3.37Å; L175-S178 PolarHBondContact O-N 3.09Å; L175-V183 HydrophobicContact CB-CG1 4.18Å; L175-V183 HydrophobicContact CD1-CG1 4.27Å; L175-V183 HydrophobicContact CD2-CG1 4.08Å; L175-V183 HydrophobicContact CG-CG1 4.41Å; L175-A187 HydrophobicContact CB-CB 3.99Å |
| 176 | L | 93.7 | Very high | 91 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -64.4 | -14.2 | 171.5 | -58.4 | -176.5 | 0 | 0 | 0 | 113.5 | Y173 S174 V184 A187 L188 L226 I229 | Y173-L176 HydrophobicContact CD2-CD1 3.75Å; Y173-L176 HydrophobicContact CE2-CD1 4.03Å; Y173-L176 VanDerWaalsContact O-CB 3.29Å; Y173-L176 WeakPolarHBondContact O-CB 3.46Å; Y173-L176 WeakPolarHBondContact O-CG 3.26Å; Y173-L176 PolarHBondContact O-N 3.48Å; S174-L176 PolarHBondContact O-N 3.07Å; S174-L176 VanDerWaalsContact O-N 3.14Å; L176-V184 HydrophobicContact CD2-CG1 4.18Å; L176-A187 HydrophobicContact CD2-CB 4.29Å; L176-L188 HydrophobicContact CD1-CD2 4.28Å; L176-L188 HydrophobicContact CD2-CD2 3.55Å; L176-L188 HydrophobicContact CD2-CG 3.63Å; L176-L226 HydrophobicContact CD1-CD2 4.01Å; L176-L226 HydrophobicContact CD1-CG 4.1Å; L176-I229 HydrophobicContact CB-CD1 4.28Å; L176-I229 HydrophobicContact CD2-CD1 4.46Å |
| 177 | T | 91.4 | Very high | 91.5 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 50% | 0.497 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -92.6 | 2.5 | 170.8 | 61.3 | 0 | 0 | 0 | 0 | 114.1 | S174 L175 Y225 | S174-T177 PolarHBondContact O-N 3.5Å; S174-T177 VanDerWaalsContact O-N 3.11Å; S174-T177 PolarHBondContact O-OG1 3.32Å; L175-T177 PolarHBondContact O-N 2.65Å; T177-Y225 HydrophobicContact CG2-CD1 3.48Å; T177-Y225 VanDerWaalsContact CG2-CD1 3.48Å; T177-Y225 HydrophobicContact CG2-CD2 3.72Å; T177-Y225 HydrophobicContact CG2-CE1 3.32Å; T177-Y225 HydrophobicContact CG2-CE2 3.57Å; T177-Y225 HydrophobicContact CG2-CG 3.65Å |
| 178 | S | 90.5 | Very high | 91.6 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | trans | -62.7 | 138.8 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | L175 F180 V184 | L175-S178 WeakPolarHBondContact O-CB 3.37Å; L175-S178 PolarHBondContact O-N 3.09Å; S178-F180 PolarHBondContact O-N 3.16Å; S178-F180 PolarHBondContact OG-N 3.26Å; S178-V184 WeakPolarHBondContact O-CG2 3.31Å | ||
| 179 | K | 89.1 | Confident | 91.5 | Very high | 204 Ų | 204 | 37 Ų | 37 | 89% | 0.887 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -70.6 | -9 | 172.8 | -63.2 | -177.8 | -179.5 | 179.2 | 0 | 112.8 | ||
| 180 | F | 89.9 | Confident | 91.5 | Very high | 107 Ų | 107 | 37.1 Ų | 37.1 | 47% | 0.469 | 18% | 0.176 | S | C | . | . | trans | -103.2 | 104.7 | -172.6 | -57.2 | -74.1 | 0 | 0 | 0 | 110.4 | Q139 S178 L182 V183 V184 | Q139-F180 HydrophobicContact CB-CB 4.21Å; Q139-F180 HydrophobicContact CB-CD1 4.31Å; Q139-F180 HydrophobicContact CB-CD2 3.48Å; Q139-F180 VanDerWaalsContact CB-CD2 3.48Å; Q139-F180 HydrophobicContact CB-CE2 3.85Å; Q139-F180 HydrophobicContact CB-CG 3.73Å; Q139-F180 HydrophobicContact CB-CZ 4.4Å; Q139-F180 HydrophobicContact CG-CD1 3.78Å; Q139-F180 HydrophobicContact CG-CD2 3.74Å; Q139-F180 HydrophobicContact CG-CE1 3.81Å; Q139-F180 HydrophobicContact CG-CE2 3.76Å; Q139-F180 HydrophobicContact CG-CG 3.74Å; Q139-F180 HydrophobicContact CG-CZ 3.79Å; S178-F180 PolarHBondContact O-N 3.16Å; S178-F180 PolarHBondContact OG-N 3.26Å; F180-L182 PolarHBondContact O-N 3.35Å; F180-L182 VanDerWaalsContact O-N 3.11Å; F180-V183 HydrophobicContact CB-CB 4.3Å; F180-V183 HydrophobicContact CB-CG2 3.99Å; F180-V183 WeakPolarHBondContact O-CB 3.33Å; F180-V183 PolarHBondContact O-N 3.13Å; F180-V184 PolarHBondContact O-N 2.81Å | ||
| 181 | R | 86.9 | Confident | 91.5 | Very high | 139 Ų | 139 | 35.1 Ų | 35.1 | 53% | 0.525 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -44.9 | -45 | -175.3 | -166 | -170.1 | -166.7 | 116.6 | -23.5 | 113.3 | V184 K185 D236 L239 | R181-V184 PolarHBondContact O-N 3.14Å; R181-K185 WeakPolarHBondContact O-CB 3.45Å; R181-K185 PolarHBondContact O-N 3.36Å; R181-D236 IonicContact CZ-OD2 2.8Å; R181-D236 IonicContact NE-OD2 3.72Å; R181-D236 PolarHBondContact NE-OD2 3.46Å; R181-D236 IonicContact NH2-OD1 3.23Å; R181-D236 PolarHBondContact NH2-OD1 3.23Å; R181-D236 IonicContact NH2-OD2 2.98Å; R181-D236 PolarHBondContact NH2-OD2 3.27Å; R181-L239 HydrophobicContact CG-CD1 3.96Å |
| 182 | L | 85.8 | Confident | 91.3 | Very high | 54 Ų | 54 | 35 Ų | 35 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | -179.4 | -173.7 | 54.5 | 0 | 0 | 0 | 112.7 | N143 F180 V184 K185 T186 | N143-L182 WeakPolarHBondContact ND2-CD2 3.4Å; F180-L182 PolarHBondContact O-N 3.35Å; F180-L182 VanDerWaalsContact O-N 3.11Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 3.34Å; L182-K185 PolarHBondContact O-N 3.05Å; L182-T186 PolarHBondContact O-N 3.39Å; L182-T186 PolarHBondContact O-OG1 2.88Å; L182-T186 VanDerWaalsContact O-OG1 3.07Å |
| 183 | V | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | Q139 L146 L175 F180 A187 | Q139-V183 HydrophobicContact CB-CG2 4.03Å; L146-V183 HydrophobicContact CD1-CG1 4.04Å; L175-V183 HydrophobicContact CB-CG1 4.18Å; L175-V183 HydrophobicContact CD1-CG1 4.27Å; L175-V183 HydrophobicContact CD2-CG1 4.08Å; L175-V183 HydrophobicContact CG-CG1 4.41Å; F180-V183 HydrophobicContact CB-CB 4.3Å; F180-V183 HydrophobicContact CB-CG2 3.99Å; F180-V183 WeakPolarHBondContact O-CB 3.33Å; F180-V183 PolarHBondContact O-N 3.13Å; V183-A187 WeakPolarHBondContact O-CB 3.43Å; V183-A187 PolarHBondContact O-N 3.11Å |
| 184 | V | 92.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.5 | -44.9 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | L176 S178 F180 R181 L182 A187 L188 I229 L239 | L176-V184 HydrophobicContact CD2-CG1 4.18Å; S178-V184 WeakPolarHBondContact O-CG2 3.31Å; F180-V184 PolarHBondContact O-N 2.81Å; R181-V184 PolarHBondContact O-N 3.14Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 3.34Å; V184-A187 PolarHBondContact O-N 3.11Å; V184-L188 HydrophobicContact CG1-CD1 4.25Å; V184-L188 WeakPolarHBondContact O-CG 3.27Å; V184-L188 PolarHBondContact O-N 2.92Å; V184-I229 HydrophobicContact CG1-CD1 3.98Å; V184-L239 HydrophobicContact CB-CD2 4.38Å; V184-L239 HydrophobicContact CG1-CD2 4.01Å |
| 185 | K | 88.5 | Confident | 90.5 | Very high | 26 Ų | 26 | 35 Ų | 35 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -51.9 | 177.3 | 177.4 | 170.4 | 169.8 | 170.1 | 0 | 111.2 | R181 L182 L188 K189 E238 L239 Y242 D1300 | R181-K185 WeakPolarHBondContact O-CB 3.45Å; R181-K185 PolarHBondContact O-N 3.36Å; L182-K185 PolarHBondContact O-N 3.05Å; K185-L188 PolarHBondContact O-N 3.15Å; K185-K189 WeakPolarHBondContact O-CG 3.42Å; K185-K189 PolarHBondContact O-N 3.33Å; K185-E238 WeakPolarHBondContact CD-OE2 3.42Å; K185-E238 WeakPolarHBondContact CE-OE2 3.23Å; K185-E238 IonicContact NZ-OE1 2.73Å; K185-E238 PolarHBondContact NZ-OE1 2.8Å; K185-E238 IonicContact NZ-OE2 2.8Å; K185-E238 PolarHBondContact NZ-OE2 2.85Å; K185-L239 HydrophobicContact CB-CD2 4Å; K185-Y242 HydrophobicContact CG-CE2 4.16Å; K185-D1300 WeakPolarHBondContact CE-OD2 3.42Å; K185-D1300 IonicContact NZ-OD2 3.18Å; K185-D1300 PolarHBondContact NZ-OD2 2.75Å |
| 186 | T | 89 | Confident | 90 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -40 | 178.4 | -47.5 | 0 | 0 | 0 | 0 | 111.9 | L146 L182 L188 K189 L190 | L146-T186 HydrophobicContact CB-CG2 3.78Å; L146-T186 HydrophobicContact CD1-CG2 4.38Å; L182-T186 PolarHBondContact O-N 3.39Å; L182-T186 PolarHBondContact O-OG1 2.88Å; L182-T186 VanDerWaalsContact O-OG1 3.07Å; T186-L188 PolarHBondContact O-N 2.73Å; T186-K189 PolarHBondContact O-N 3.35Å; T186-L190 HydrophobicContact CG2-CD1 4.43Å; T186-L190 WeakPolarHBondContact O-CG 3.26Å; T186-L190 PolarHBondContact O-N 3.11Å |
| 187 | A | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L172 L175 L176 V183 V184 Q191 | L172-A187 HydrophobicContact CD2-CB 4.49Å; L175-A187 HydrophobicContact CB-CB 3.99Å; L176-A187 HydrophobicContact CD2-CB 4.29Å; V183-A187 WeakPolarHBondContact O-CB 3.43Å; V183-A187 PolarHBondContact O-N 3.11Å; V184-A187 PolarHBondContact O-N 3.11Å; A187-Q191 WeakPolarHBondContact O-CB 3.36Å; A187-Q191 WeakPolarHBondContact O-CG 3.27Å; A187-Q191 PolarHBondContact O-N 2.84Å; A187-Q191 VanDerWaalsContact O-N 3.07Å; A187-Q191 PolarHBondContact O-NE2 3.43Å |
| 188 | L | 91.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | 171.9 | -75.9 | 173.4 | 0 | 0 | 0 | 111.5 | L176 V184 K185 T186 L190 Q191 L192 L226 I229 L239 L246 | L176-L188 HydrophobicContact CD1-CD2 4.28Å; L176-L188 HydrophobicContact CD2-CD2 3.55Å; L176-L188 HydrophobicContact CD2-CG 3.63Å; V184-L188 HydrophobicContact CG1-CD1 4.25Å; V184-L188 WeakPolarHBondContact O-CG 3.27Å; V184-L188 PolarHBondContact O-N 2.92Å; K185-L188 PolarHBondContact O-N 3.15Å; T186-L188 PolarHBondContact O-N 2.73Å; L188-L190 VanDerWaalsContact C-N 3.31Å; L188-L190 PolarHBondContact O-N 3.31Å; L188-Q191 PolarHBondContact O-N 3.35Å; L188-L192 PolarHBondContact O-N 2.96Å; L188-L226 HydrophobicContact CD2-CD2 3.75Å; L188-I229 HydrophobicContact CD1-CD1 4.47Å; L188-L239 HydrophobicContact CD1-CD2 3.73Å; L188-L246 HydrophobicContact CD2-CD2 4Å |
| 189 | K | 90.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 178.8 | -75.4 | -172.1 | 172.4 | -163.2 | 0 | 112.2 | K185 T186 L192 L193 Y242 D1300 L1303 L1307 | K185-K189 WeakPolarHBondContact O-CG 3.42Å; K185-K189 PolarHBondContact O-N 3.33Å; T186-K189 PolarHBondContact O-N 3.35Å; K189-L192 PolarHBondContact O-N 3.28Å; K189-L193 WeakPolarHBondContact O-CB 3.25Å; K189-L193 PolarHBondContact O-N 2.95Å; K189-Y242 HydrophobicContact CD-CE2 4.27Å; K189-Y242 WeakPolarHBondContact CE-OH 3.4Å; K189-Y242 HydrophobicContact CG-CD2 4.28Å; K189-Y242 HydrophobicContact CG-CE2 4.15Å; K189-Y242 PolarHBondContact NZ-OH 3Å; K189-Y242 VanDerWaalsContact NZ-OH 3.13Å; K189-D1300 VanDerWaalsContact NZ-CG 3.26Å; K189-D1300 IonicContact NZ-OD1 2.71Å; K189-D1300 PolarHBondContact NZ-OD1 3.43Å; K189-D1300 IonicContact NZ-OD2 2.65Å; K189-L1303 HydrophobicContact CB-CD1 4.29Å; K189-L1303 HydrophobicContact CD-CB 3.89Å; K189-L1303 HydrophobicContact CD-CD1 3.95Å; K189-L1303 HydrophobicContact CD-CG 4.47Å; K189-L1307 HydrophobicContact CG-CD1 4.5Å |
| 190 | L | 92.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.4 | -38.6 | 175.3 | -65.9 | -179.2 | 0 | 0 | 0 | 113.3 | L146 L149 M153 L172 T186 L188 L192 L193 F194 | L146-L190 HydrophobicContact CB-CD1 4.35Å; L146-L190 HydrophobicContact CD2-CD1 3.86Å; L149-L190 HydrophobicContact CD2-CD1 4.16Å; L149-L190 HydrophobicContact CG-CD1 4.31Å; M153-L190 WeakPolarHBondContact CE-O 3.44Å; M153-L190 HydrophobicContact SD-CB 4.35Å; M153-L190 HydrophobicContact SD-CD2 4.1Å; L172-L190 HydrophobicContact CD1-CB 4.17Å; L172-L190 HydrophobicContact CD2-CB 4.3Å; L172-L190 HydrophobicContact CD2-CD1 4.03Å; T186-L190 HydrophobicContact CG2-CD1 4.43Å; T186-L190 WeakPolarHBondContact O-CG 3.26Å; T186-L190 PolarHBondContact O-N 3.11Å; L188-L190 VanDerWaalsContact C-N 3.31Å; L188-L190 PolarHBondContact O-N 3.31Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.48Å; L190-L193 HydrophobicContact CD2-CD2 4.42Å; L190-L193 PolarHBondContact O-N 3.07Å; L190-F194 WeakPolarHBondContact O-CB 3.34Å; L190-F194 PolarHBondContact O-N 3.48Å |
| 191 | Q | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -36.3 | 173.4 | -80.8 | 163.4 | 94.7 | 0 | 0 | 111.9 | L172 A187 L188 V195 F205 L246 | L172-Q191 HydrophobicContact CB-CG 4Å; L172-Q191 HydrophobicContact CD1-CG 4.44Å; L172-Q191 PolarHBondContact O-NE2 3.36Å; A187-Q191 WeakPolarHBondContact O-CB 3.36Å; A187-Q191 WeakPolarHBondContact O-CG 3.27Å; A187-Q191 PolarHBondContact O-N 2.84Å; A187-Q191 VanDerWaalsContact O-N 3.07Å; A187-Q191 PolarHBondContact O-NE2 3.43Å; L188-Q191 PolarHBondContact O-N 3.35Å; Q191-V195 WeakPolarHBondContact O-CG2 3.42Å; Q191-V195 PolarHBondContact O-N 2.84Å; Q191-V195 VanDerWaalsContact O-N 3.11Å; Q191-F205 HydrophobicContact CB-CE2 4.47Å; Q191-F205 HydrophobicContact CG-CE2 4.03Å; Q191-F205 HydrophobicContact CG-CZ 4.49Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.26Å; Q191-L246 HydrophobicContact CB-CD1 4.25Å; Q191-L246 HydrophobicContact CB-CD2 3.85Å |
| 192 | L | 89.5 | Confident | 87.7 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.5 | -49.9 | 174.5 | -169.4 | 68.5 | 0 | 0 | 0 | 111.2 | L188 K189 L190 F194 V195 D196 T245 L246 K249 L1307 | L188-L192 PolarHBondContact O-N 2.96Å; K189-L192 PolarHBondContact O-N 3.28Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.48Å; L192-F194 PolarHBondContact O-N 2.69Å; L192-V195 PolarHBondContact O-N 2.67Å; L192-V195 VanDerWaalsContact O-N 3.09Å; L192-D196 VanDerWaalsContact O-CB 3.31Å; L192-D196 WeakPolarHBondContact O-CB 3.27Å; L192-D196 PolarHBondContact O-N 2.68Å; L192-T245 HydrophobicContact CD1-CG2 4.18Å; L192-T245 HydrophobicContact CD2-CG2 4.37Å; L192-L246 HydrophobicContact CD1-CB 4.23Å; L192-L246 HydrophobicContact CD1-CD1 4.26Å; L192-K249 HydrophobicContact CD1-CD 3.97Å; L192-K249 HydrophobicContact CD1-CG 4.34Å; L192-L1307 HydrophobicContact CD2-CD1 4.4Å; L192-L1307 HydrophobicContact CD2-CD2 3.4Å; L192-L1307 VanDerWaalsContact CD2-CD2 3.4Å; L192-L1307 HydrophobicContact CD2-CG 3.78Å |
| 193 | L | 87.8 | Confident | 87.7 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 12% | 0.12 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.2 | -38.1 | 175.4 | -178.3 | 65.2 | 0 | 0 | 0 | 112.1 | M153 M159 K189 L190 Y197 | M153-L193 HydrophobicContact CB-CD2 4.09Å; M153-L193 HydrophobicContact CE-CB 4.47Å; M153-L193 HydrophobicContact CE-CD2 4.3Å; M153-L193 HydrophobicContact CE-CG 4.4Å; M159-L193 HydrophobicContact CE-CG 4.03Å; K189-L193 WeakPolarHBondContact O-CB 3.25Å; K189-L193 PolarHBondContact O-N 2.95Å; L190-L193 HydrophobicContact CD2-CD2 4.42Å; L190-L193 PolarHBondContact O-N 3.07Å; L193-Y197 WeakPolarHBondContact O-CB 3.46Å; L193-Y197 PolarHBondContact O-N 3.5Å |
| 194 | F | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.4 | -48.7 | 174.6 | 179.3 | -100.4 | 0 | 0 | 0 | 113.1 | M153 M159 V162 I163 L169 L190 L192 D196 N201 I204 F205 | M153-F194 HydrophobicContact CE-CB 3.9Å; M159-F194 HydrophobicContact SD-CD2 3.99Å; V162-F194 HydrophobicContact CG1-CD2 3.83Å; V162-F194 HydrophobicContact CG1-CE2 4.02Å; I163-F194 HydrophobicContact CB-CE2 4.32Å; I163-F194 HydrophobicContact CG1-CD2 4.43Å; I163-F194 HydrophobicContact CG1-CE2 3.56Å; I163-F194 HydrophobicContact CG1-CZ 4.19Å; L169-F194 HydrophobicContact CD1-CD1 4.3Å; L169-F194 HydrophobicContact CD1-CE1 3.56Å; L169-F194 HydrophobicContact CD1-CE2 4.12Å; L169-F194 HydrophobicContact CD1-CZ 3.47Å; L169-F194 VanDerWaalsContact CD1-CZ 3.47Å; L169-F194 HydrophobicContact CD2-CB 4.44Å; L169-F194 HydrophobicContact CD2-CD1 3.65Å; L169-F194 HydrophobicContact CD2-CD2 3.86Å; L169-F194 HydrophobicContact CD2-CE1 3.78Å; L169-F194 HydrophobicContact CD2-CE2 3.97Å; L169-F194 HydrophobicContact CD2-CG 3.7Å; L169-F194 HydrophobicContact CD2-CZ 3.95Å; L169-F194 HydrophobicContact CG-CE1 4.33Å; L169-F194 HydrophobicContact CG-CZ 4.31Å; L190-F194 WeakPolarHBondContact O-CB 3.34Å; L190-F194 PolarHBondContact O-N 3.48Å; L192-F194 PolarHBondContact O-N 2.69Å; F194-D196 VanDerWaalsContact C-N 3.34Å; F194-N201 HydrophobicContact CD1-CB 4.02Å; F194-N201 HydrophobicContact CE1-CB 3.64Å; F194-N201 WeakPolarHBondContact CE1-O 3.1Å; F194-N201 HydrophobicContact CE2-CB 4.45Å; F194-N201 HydrophobicContact CZ-CB 3.86Å; F194-N201 WeakPolarHBondContact O-CB 3.45Å; F194-N201 PolarHBondContact O-ND2 3.39Å; F194-I204 HydrophobicContact CE1-CB 4.3Å; F194-I204 HydrophobicContact CE1-CG2 4.46Å; F194-I204 HydrophobicContact CZ-CB 4.19Å; F194-I204 HydrophobicContact CZ-CG2 4.1Å; F194-F205 HydrophobicContact CD1-CB 4.45Å; F194-F205 HydrophobicContact CE1-CB 4.31Å |
| 195 | V | 87.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.6 | -34.1 | -178.5 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | Q191 L192 A202 F205 L246 K249 | Q191-V195 WeakPolarHBondContact O-CG2 3.42Å; Q191-V195 PolarHBondContact O-N 2.84Å; Q191-V195 VanDerWaalsContact O-N 3.11Å; L192-V195 PolarHBondContact O-N 2.67Å; L192-V195 VanDerWaalsContact O-N 3.09Å; V195-A202 HydrophobicContact CG1-CB 4.14Å; V195-F205 HydrophobicContact CG2-CB 3.91Å; V195-F205 HydrophobicContact CG2-CD1 3.79Å; V195-F205 HydrophobicContact CG2-CG 3.96Å; V195-L246 HydrophobicContact CB-CD1 4.33Å; V195-L246 HydrophobicContact CG2-CD1 3.96Å; V195-K249 HydrophobicContact CG1-CB 4.14Å |
| 196 | D | 85 | Confident | 87.6 | Confident | 75 Ų | 75 | 24.1 Ų | 24.1 | 40% | 0.401 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -76.7 | -26 | -177 | -146.7 | 23.1 | 0 | 0 | 0 | 113.4 | L192 F194 A198 K249 | L192-D196 VanDerWaalsContact O-CB 3.31Å; L192-D196 WeakPolarHBondContact O-CB 3.27Å; L192-D196 PolarHBondContact O-N 2.68Å; F194-D196 VanDerWaalsContact C-N 3.34Å; D196-A198 VanDerWaalsContact C-N 3.29Å; D196-A198 PolarHBondContact O-N 3.38Å; D196-K249 HydrophobicContact CB-CD 4.45Å; D196-K249 VanDerWaalsContact OD1-CD 3.31Å; D196-K249 WeakPolarHBondContact OD1-CD 3.4Å; D196-K249 IonicContact OD1-NZ 3.43Å; D196-K249 PolarHBondContact OD1-NZ 2.77Å; D196-K249 IonicContact OD2-NZ 3.92Å; D196-K249 PolarHBondContact OD2-NZ 3.43Å |
| 197 | Y | 82.3 | Confident | 87.5 | Confident | 89 Ų | 89 | 23.8 Ų | 23.8 | 35% | 0.349 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62 | -32 | -178.8 | 178.8 | -96.8 | 0 | 0 | 0 | 113.8 | M159 I163 L193 I1198 | M159-Y197 HydrophobicContact CB-CE2 4.39Å; M159-Y197 HydrophobicContact CE-CD2 4.18Å; M159-Y197 HydrophobicContact CE-CG 4.08Å; M159-Y197 HydrophobicContact CG-CD1 3.53Å; M159-Y197 HydrophobicContact CG-CD2 3.77Å; M159-Y197 HydrophobicContact CG-CE1 3.6Å; M159-Y197 HydrophobicContact CG-CE2 3.85Å; M159-Y197 HydrophobicContact CG-CG 3.61Å; M159-Y197 HydrophobicContact SD-CD1 4.27Å; M159-Y197 HydrophobicContact SD-CG 4.11Å; I163-Y197 HydrophobicContact CD1-CD1 3.94Å; I163-Y197 HydrophobicContact CD1-CE1 3.87Å; L193-Y197 WeakPolarHBondContact O-CB 3.46Å; L193-Y197 PolarHBondContact O-N 3.5Å; Y197-I1198 HydrophobicContact CD2-CD1 4.03Å; Y197-I1198 HydrophobicContact CE2-CD1 3.7Å; Y197-I1198 HydrophobicContact CE2-CG1 4.34Å |
| 198 | A | 78.1 | Confident | 87.3 | Confident | 36 Ų | 36 | 23.8 Ų | 23.8 | 30% | 0.298 | 12% | 0.119 | S | C | . | . | trans | -161.3 | 139.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D196 M200 N201 | D196-A198 VanDerWaalsContact C-N 3.29Å; D196-A198 PolarHBondContact O-N 3.38Å; A198-M200 PolarHBondContact O-N 2.92Å; A198-N201 VanDerWaalsContact O-CB 3.28Å; A198-N201 WeakPolarHBondContact O-CB 3.38Å; A198-N201 PolarHBondContact O-N 3.5Å | ||
| 199 | E | 76.1 | Confident | 87.3 | Confident | 123 Ų | 123 | 23.8 Ų | 23.8 | 58% | 0.575 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -52.1 | -35.9 | 179.7 | -67.4 | -171 | -163.4 | 0 | 0 | 113.4 | N201 A202 R322 | E199-N201 PolarHBondContact O-N 3.46Å; E199-A202 WeakPolarHBondContact O-CB 3.2Å; E199-A202 PolarHBondContact O-N 3.18Å; E199-R322 IonicContact OE2-NH2 3.11Å |
| 200 | M | 79 | Confident | 87.3 | Confident | 80 Ų | 80 | 26.2 Ų | 26.2 | 39% | 0.394 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.4 | -25.4 | 179.2 | -63.3 | -177.1 | 72.5 | 0 | 0 | 113.3 | A198 A202 M203 I204 L341 | A198-M200 PolarHBondContact O-N 2.92Å; M200-A202 VanDerWaalsContact C-N 3.26Å; M200-A202 PolarHBondContact O-N 3.34Å; M200-M203 WeakPolarHBondContact O-CB 3.41Å; M200-M203 PolarHBondContact O-N 2.63Å; M200-M203 VanDerWaalsContact O-N 3.07Å; M200-I204 PolarHBondContact O-N 3.46Å; M200-L341 HydrophobicContact CE-CB 4.05Å; M200-L341 HydrophobicContact CE-CD1 4.23Å; M200-L341 HydrophobicContact CE-CG 3.87Å |
| 201 | N | 87.1 | Confident | 87 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -29.2 | 179.7 | -72 | 1.9 | 0 | 0 | 0 | 111.8 | F194 A198 E199 M203 I204 F205 | F194-N201 HydrophobicContact CD1-CB 4.02Å; F194-N201 HydrophobicContact CE1-CB 3.64Å; F194-N201 WeakPolarHBondContact CE1-O 3.1Å; F194-N201 HydrophobicContact CE2-CB 4.45Å; F194-N201 HydrophobicContact CZ-CB 3.86Å; F194-N201 WeakPolarHBondContact O-CB 3.45Å; F194-N201 PolarHBondContact O-ND2 3.39Å; A198-N201 VanDerWaalsContact O-CB 3.28Å; A198-N201 WeakPolarHBondContact O-CB 3.38Å; A198-N201 PolarHBondContact O-N 3.5Å; E199-N201 PolarHBondContact O-N 3.46Å; N201-M203 VanDerWaalsContact C-N 3.26Å; N201-M203 PolarHBondContact O-N 3.19Å; N201-I204 PolarHBondContact O-N 3.2Å; N201-I204 VanDerWaalsContact O-N 3.08Å; N201-F205 WeakPolarHBondContact O-CB 3.3Å; N201-F205 PolarHBondContact O-N 3.14Å |
| 202 | A | 88.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55 | -42.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V195 E199 M200 I204 F205 V206 T250 | V195-A202 HydrophobicContact CG1-CB 4.14Å; E199-A202 WeakPolarHBondContact O-CB 3.2Å; E199-A202 PolarHBondContact O-N 3.18Å; M200-A202 VanDerWaalsContact C-N 3.26Å; M200-A202 PolarHBondContact O-N 3.34Å; A202-I204 PolarHBondContact O-N 2.92Å; A202-F205 PolarHBondContact O-N 3.11Å; A202-V206 VanDerWaalsContact O-CG2 3.24Å; A202-V206 WeakPolarHBondContact O-CG2 3.46Å; A202-V206 PolarHBondContact O-N 3.1Å; A202-T250 HydrophobicContact CB-CG2 4.28Å |
| 203 | M | 87.2 | Confident | 86.8 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.1 | -30.1 | 177.4 | -71.1 | -63.1 | -66.5 | 0 | 0 | 112.8 | M200 N201 K207 I254 P255 T259 | M200-M203 WeakPolarHBondContact O-CB 3.41Å; M200-M203 PolarHBondContact O-N 2.63Å; M200-M203 VanDerWaalsContact O-N 3.07Å; N201-M203 VanDerWaalsContact C-N 3.26Å; N201-M203 PolarHBondContact O-N 3.19Å; M203-K207 WeakPolarHBondContact O-CD 3.49Å; M203-K207 WeakPolarHBondContact O-CE 3.28Å; M203-K207 WeakPolarHBondContact O-CG 3.38Å; M203-K207 PolarHBondContact O-N 2.9Å; M203-I254 HydrophobicContact SD-CG1 4.13Å; M203-I254 HydrophobicContact SD-CG2 4.39Å; M203-P255 HydrophobicContact CG-CG 4.45Å; M203-T259 HydrophobicContact CE-CG2 4.07Å; M203-T259 HydrophobicContact SD-CG2 4.08Å |
| 204 | I | 87.8 | Confident | 86.7 | Confident | 18 Ų | 18 | 31.5 Ų | 31.5 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.9 | -38.1 | 174.1 | -56.2 | 176.7 | 0 | 0 | 0 | 110.3 | I163 L169 F194 M200 N201 A202 K207 S208 | I163-I204 HydrophobicContact CG2-CD1 3.78Å; L169-I204 HydrophobicContact CD1-CG2 3.72Å; F194-I204 HydrophobicContact CE1-CB 4.3Å; F194-I204 HydrophobicContact CE1-CG2 4.46Å; F194-I204 HydrophobicContact CZ-CB 4.19Å; F194-I204 HydrophobicContact CZ-CG2 4.1Å; M200-I204 PolarHBondContact O-N 3.46Å; N201-I204 PolarHBondContact O-N 3.2Å; N201-I204 VanDerWaalsContact O-N 3.08Å; A202-I204 PolarHBondContact O-N 2.92Å; I204-K207 PolarHBondContact O-N 3.36Å; I204-S208 WeakPolarHBondContact O-CB 3.29Å; I204-S208 PolarHBondContact O-N 3.48Å; I204-S208 PolarHBondContact O-OG 3.2Å |
| 205 | F | 92.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.2 | -49.8 | 175.3 | -179.6 | -125.5 | 0 | 0 | 0 | 112.1 | Y173 Q191 F194 V195 N201 A202 K207 S208 V209 W223 L246 T250 | Y173-F205 HydrophobicContact CD2-CE2 4.38Å; Y173-F205 HydrophobicContact CD2-CZ 4.4Å; Q191-F205 HydrophobicContact CB-CE2 4.47Å; Q191-F205 HydrophobicContact CG-CE2 4.03Å; Q191-F205 HydrophobicContact CG-CZ 4.49Å; Q191-F205 VanDerWaalsContact OE1-CE2 3.26Å; F194-F205 HydrophobicContact CD1-CB 4.45Å; F194-F205 HydrophobicContact CE1-CB 4.31Å; V195-F205 HydrophobicContact CG2-CB 3.91Å; V195-F205 HydrophobicContact CG2-CD1 3.79Å; V195-F205 HydrophobicContact CG2-CG 3.96Å; N201-F205 WeakPolarHBondContact O-CB 3.3Å; N201-F205 PolarHBondContact O-N 3.14Å; A202-F205 PolarHBondContact O-N 3.11Å; F205-K207 VanDerWaalsContact C-N 3.29Å; F205-K207 PolarHBondContact O-N 2.86Å; F205-S208 WeakPolarHBondContact O-CA 3.46Å; F205-S208 WeakPolarHBondContact O-CB 3.37Å; F205-S208 PolarHBondContact O-N 2.92Å; F205-V209 HydrophobicContact CD2-CG2 4.28Å; F205-V209 HydrophobicContact CE1-CG2 4.48Å; F205-V209 HydrophobicContact CE2-CG2 3.88Å; F205-V209 HydrophobicContact CZ-CG2 3.99Å; F205-V209 WeakPolarHBondContact O-CG2 3.09Å; F205-V209 PolarHBondContact O-N 3.1Å; F205-W223 HydrophobicContact CD1-CH2 4.26Å; F205-W223 HydrophobicContact CD1-CZ3 4.34Å; F205-W223 HydrophobicContact CE1-CH2 4.17Å; F205-W223 AromaticContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CZ-CZ3 4.46Å; F205-L246 HydrophobicContact CD1-CD1 4.49Å; F205-L246 HydrophobicContact CE1-CD1 3.97Å; F205-L246 HydrophobicContact CE1-CD2 4.14Å; F205-L246 HydrophobicContact CE1-CG 4.04Å; F205-L246 HydrophobicContact CZ-CD1 4.45Å; F205-L246 HydrophobicContact CZ-CD2 3.99Å; F205-L246 HydrophobicContact CZ-CG 4.41Å; F205-T250 HydrophobicContact CD1-CG2 4.14Å |
| 206 | V | 90.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -49.9 | -49.5 | 174 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | A202 S208 V209 E210 W223 T250 I254 V263 | A202-V206 VanDerWaalsContact O-CG2 3.24Å; A202-V206 WeakPolarHBondContact O-CG2 3.46Å; A202-V206 PolarHBondContact O-N 3.1Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.46Å; V206-V209 PolarHBondContact O-N 3.31Å; V206-E210 PolarHBondContact O-N 2.69Å; V206-W223 HydrophobicContact CB-CH2 4.45Å; V206-W223 HydrophobicContact CB-CZ2 4.18Å; V206-W223 HydrophobicContact CG1-CZ2 4.23Å; V206-W223 HydrophobicContact CG2-CH2 3.85Å; V206-W223 HydrophobicContact CG2-CZ2 3.8Å; V206-T250 HydrophobicContact CG2-CG2 3.7Å; V206-I254 HydrophobicContact CG2-CD1 4.45Å; V206-V263 HydrophobicContact CG1-CG2 4.2Å |
| 207 | K | 87 | Confident | 85.5 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | 179.5 | -66.7 | 163.6 | -160.4 | -166.9 | 0 | 112.6 | M203 I204 F205 A211 M345 M358 | M203-K207 WeakPolarHBondContact O-CD 3.49Å; M203-K207 WeakPolarHBondContact O-CE 3.28Å; M203-K207 WeakPolarHBondContact O-CG 3.38Å; M203-K207 PolarHBondContact O-N 2.9Å; I204-K207 PolarHBondContact O-N 3.36Å; F205-K207 VanDerWaalsContact C-N 3.29Å; F205-K207 PolarHBondContact O-N 2.86Å; K207-A211 WeakPolarHBondContact O-CB 3.29Å; K207-A211 PolarHBondContact O-N 2.9Å; K207-M345 HydrophobicContact CD-CE 3.99Å; K207-M345 HydrophobicContact CD-SD 4.46Å; K207-M345 PolarHBondContact NZ-SD 3.22Å; K207-M358 HydrophobicContact CD-CE 4.41Å; K207-M358 HydrophobicContact CD-CG 3.8Å; K207-M358 HydrophobicContact CD-SD 3.39Å; K207-M358 WeakPolarHBondContact CD-SD 3.42Å; K207-M358 WeakPolarHBondContact CE-SD 3.49Å; K207-M358 HydrophobicContact CG-SD 3.63Å |
| 208 | S | 89.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 176.4 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | I204 F205 V206 Y212 | I204-S208 WeakPolarHBondContact O-CB 3.29Å; I204-S208 PolarHBondContact O-N 3.48Å; I204-S208 PolarHBondContact O-OG 3.2Å; F205-S208 WeakPolarHBondContact O-CA 3.46Å; F205-S208 WeakPolarHBondContact O-CB 3.37Å; F205-S208 PolarHBondContact O-N 2.92Å; V206-S208 VanDerWaalsContact C-N 3.33Å; V206-S208 PolarHBondContact O-N 3.46Å; S208-Y212 VanDerWaalsContact O-CB 3.3Å; S208-Y212 WeakPolarHBondContact O-CB 3.07Å; S208-Y212 PolarHBondContact O-N 2.88Å |
| 209 | V | 91.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -50.4 | 172.1 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | Y173 F205 V206 A211 Y212 H213 P222 W223 | Y173-V209 HydrophobicContact CD2-CG2 3.7Å; Y173-V209 HydrophobicContact CE1-CG1 4.21Å; Y173-V209 HydrophobicContact CE2-CG1 4.06Å; Y173-V209 HydrophobicContact CE2-CG2 3.74Å; Y173-V209 HydrophobicContact CG-CG2 4.14Å; F205-V209 HydrophobicContact CD2-CG2 4.28Å; F205-V209 HydrophobicContact CE1-CG2 4.48Å; F205-V209 HydrophobicContact CE2-CG2 3.88Å; F205-V209 HydrophobicContact CZ-CG2 3.99Å; F205-V209 WeakPolarHBondContact O-CG2 3.09Å; F205-V209 PolarHBondContact O-N 3.1Å; V206-V209 PolarHBondContact O-N 3.31Å; V209-A211 PolarHBondContact O-N 3.15Å; V209-Y212 PolarHBondContact O-N 2.77Å; V209-H213 PolarHBondContact O-CD2 2.94Å; V209-H213 PolarHBondContact O-N 2.99Å; V209-P222 HydrophobicContact CG1-CB 4.25Å; V209-W223 HydrophobicContact CB-CH2 4.49Å; V209-W223 HydrophobicContact CB-CZ2 4.41Å; V209-W223 HydrophobicContact CG1-CD2 4.2Å; V209-W223 HydrophobicContact CG1-CZ2 4.43Å; V209-W223 HydrophobicContact CG2-CH2 4.21Å; V209-W223 HydrophobicContact CG2-CZ3 4.27Å |
| 210 | E | 88.9 | Confident | 85.5 | Confident | 55 Ų | 55 | 38.4 Ų | 38.4 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -44.9 | 178.8 | -71.8 | -172 | 115.2 | 0 | 0 | 112.2 | V206 Y212 H213 A214 P222 M361 | V206-E210 PolarHBondContact O-N 2.69Å; E210-Y212 VanDerWaalsContact C-N 3.34Å; E210-Y212 PolarHBondContact O-N 2.7Å; E210-H213 PolarHBondContact O-N 3.47Å; E210-A214 VanDerWaalsContact O-CB 3.3Å; E210-A214 WeakPolarHBondContact O-CB 3.04Å; E210-A214 PolarHBondContact O-N 2.65Å; E210-P222 HydrophobicContact CG-CB 4.47Å; E210-P222 HydrophobicContact CG-CG 4.41Å; E210-M361 WeakPolarHBondContact OE2-CE 3.2Å |
| 211 | A | 86.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -33.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | K207 V209 N215 | K207-A211 WeakPolarHBondContact O-CB 3.29Å; K207-A211 PolarHBondContact O-N 2.9Å; V209-A211 PolarHBondContact O-N 3.15Å; A211-N215 WeakPolarHBondContact O-CB 3.3Å; A211-N215 PolarHBondContact O-N 2.85Å; A211-N215 PolarHBondContact O-ND2 3.19Å |
| 212 | Y | 89.8 | Confident | 86 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | 175.3 | 179.2 | -92 | 0 | 0 | 0 | 111.3 | R170 Y173 S174 S208 V209 E210 N215 T216 Y225 | R170-Y212 HydrophobicContact CB-CD2 4.2Å; Y173-Y212 AromaticContact CD1-CD1 3.85Å; Y173-Y212 HydrophobicContact CD1-CD1 3.85Å; Y173-Y212 HydrophobicContact CD1-CE1 4.34Å; Y173-Y212 HydrophobicContact CD1-CG 4.05Å; Y173-Y212 AromaticContact CE1-CD1 3.89Å; Y173-Y212 HydrophobicContact CE1-CD1 3.89Å; Y173-Y212 HydrophobicContact CE1-CE1 4.38Å; Y173-Y212 HydrophobicContact CE1-CG 4.49Å; S174-Y212 WeakPolarHBondContact CB-OH 3.37Å; S208-Y212 VanDerWaalsContact O-CB 3.3Å; S208-Y212 WeakPolarHBondContact O-CB 3.07Å; S208-Y212 PolarHBondContact O-N 2.88Å; V209-Y212 PolarHBondContact O-N 2.77Å; E210-Y212 VanDerWaalsContact C-N 3.34Å; E210-Y212 PolarHBondContact O-N 2.7Å; Y212-N215 PolarHBondContact O-N 3.37Å; Y212-T216 WeakPolarHBondContact O-CB 3.31Å; Y212-T216 PolarHBondContact O-N 2.63Å; Y212-T216 PolarHBondContact O-OG1 3.45Å; Y212-Y225 HydrophobicContact CD1-CE2 4.37Å; Y212-Y225 AromaticContact CE1-CE2 3.58Å; Y212-Y225 HydrophobicContact CE1-CE2 3.58Å; Y212-Y225 AromaticContact CE1-CZ 3.82Å; Y212-Y225 WeakPolarHBondContact CE1-OH 3.35Å; Y212-Y225 PolarHBondContact OH-OH 2.94Å |
| 213 | H | 89.4 | Confident | 86.2 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70 | -33.8 | 179 | -75.6 | -87.1 | 0 | 0 | 0 | 112.7 | Y173 V209 E210 T216 S219 R221 P222 S224 | Y173-H213 AromaticContact CE1-CD2 3.9Å; Y173-H213 AromaticContact CE1-NE2 3.38Å; Y173-H213 WeakPolarHBondContact CE1-NE2 2.9Å; Y173-H213 AromaticContact CZ-NE2 3.68Å; Y173-H213 PolarHBondContact OH-NE2 3.42Å; Y173-H213 VanDerWaalsContact OH-NE2 3.13Å; V209-H213 PolarHBondContact O-CD2 2.94Å; V209-H213 PolarHBondContact O-N 2.99Å; E210-H213 PolarHBondContact O-N 3.47Å; H213-T216 CarbonylContact O-C 3.6Å; H213-T216 VanDerWaalsContact O-C 3.3Å; H213-T216 PolarHBondContact O-N 3.03Å; H213-S219 PolarHBondContact CE1-O 3.18Å; H213-S219 PolarHBondContact CE1-OG 2.98Å; H213-S219 PolarHBondContact ND1-OG 3.21Å; H213-R221 PolarHBondContact CE1-O 2.9Å; H213-R221 PolarHBondContact ND1-O 3.16Å; H213-R221 PolarHBondContact NE2-O 2.77Å; H213-P222 HydrophobicContact CB-CG 4.24Å; H213-S224 PolarHBondContact CE1-OG 3.18Å; H213-S224 VanDerWaalsContact CE1-OG 3.29Å |
| 214 | A | 85.8 | Confident | 86.5 | Confident | 78 Ų | 78 | 41.9 Ų | 41.9 | 65% | 0.645 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E210 | E210-A214 VanDerWaalsContact O-CB 3.3Å; E210-A214 WeakPolarHBondContact O-CB 3.04Å; E210-A214 PolarHBondContact O-N 2.65Å |
| 215 | N | 82.4 | Confident | 86.7 | Confident | 125 Ų | 125 | 42.1 Ų | 42.1 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -83.1 | -19.9 | 176.6 | -67.6 | -28.9 | 0 | 0 | 0 | 113.1 | A211 Y212 P217 | A211-N215 WeakPolarHBondContact O-CB 3.3Å; A211-N215 PolarHBondContact O-N 2.85Å; A211-N215 PolarHBondContact O-ND2 3.19Å; Y212-N215 PolarHBondContact O-N 3.37Å; N215-P217 VanDerWaalsContact C-CD 3.49Å; N215-P217 WeakPolarHBondContact O-CD 3.26Å |
| 216 | T | 84 | Confident | 86.8 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | trans | -123.5 | 68.1 | -175.8 | -40.2 | 0 | 0 | 0 | 0 | 110.2 | Y212 H213 T218 S219 | Y212-T216 WeakPolarHBondContact O-CB 3.31Å; Y212-T216 PolarHBondContact O-N 2.63Å; Y212-T216 PolarHBondContact O-OG1 3.45Å; H213-T216 CarbonylContact O-C 3.6Å; H213-T216 VanDerWaalsContact O-C 3.3Å; H213-T216 PolarHBondContact O-N 3.03Å; T216-T218 PolarHBondContact O-N 3.24Å; T216-S219 WeakPolarHBondContact O-CB 3.37Å; T216-S219 PolarHBondContact O-N 2.84Å; T216-S219 PolarHBondContact O-OG 3.46Å | ||
| 217 | P | 70.8 | Confident | 86.9 | Confident | 106 Ų | 106 | 42.5 Ų | 42.5 | 69% | 0.688 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -61.4 | -13.5 | -172.2 | 23.3 | -34.6 | 0 | 0 | 0 | 114.7 | N215 | N215-P217 VanDerWaalsContact C-CD 3.49Å; N215-P217 WeakPolarHBondContact O-CD 3.26Å |
| 218 | T | 78.5 | Confident | 87.1 | Confident | 135 Ų | 135 | 46.3 Ų | 46.3 | 83% | 0.828 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -79.6 | -11.4 | 172.5 | 50 | 0 | 0 | 0 | 0 | 114.4 | T216 G220 | T216-T218 PolarHBondContact O-N 3.24Å; T218-G220 VanDerWaalsContact C-N 3.29Å |
| 219 | S | 76.8 | Confident | 87.3 | Confident | 14 Ų | 14 | 47 Ų | 47 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -80.6 | -6.7 | 177.4 | 59 | 0 | 0 | 0 | 0 | 114.4 | H213 T216 S224 Y225 | H213-S219 PolarHBondContact CE1-O 3.18Å; H213-S219 PolarHBondContact CE1-OG 2.98Å; H213-S219 PolarHBondContact ND1-OG 3.21Å; T216-S219 WeakPolarHBondContact O-CB 3.37Å; T216-S219 PolarHBondContact O-N 2.84Å; T216-S219 PolarHBondContact O-OG 3.46Å; S219-S224 PolarHBondContact O-OG 3.45Å; S219-Y225 WeakPolarHBondContact CB-OH 3.25Å |
| 220 | G | 82.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 47 Ų | 47 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | trans | 98.2 | -125.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T218 | T218-G220 VanDerWaalsContact C-N 3.29Š| ||
| 221 | R | 86.4 | Confident | 87.4 | Confident | 120 Ų | 120 | 49.3 Ų | 49.3 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -111.9 | 151.9 | -178.4 | -70.4 | 176.1 | 165.5 | -143.9 | -4.4 | 110.4 | H213 W223 S224 E269 M270 | H213-R221 PolarHBondContact CE1-O 2.9Å; H213-R221 PolarHBondContact ND1-O 3.16Å; H213-R221 PolarHBondContact NE2-O 2.77Å; R221-W223 PolarHBondContact O-N 3.05Å; R221-S224 WeakPolarHBondContact O-CB 3.21Å; R221-S224 PolarHBondContact O-N 2.99Å; R221-S224 PolarHBondContact O-OG 2.87Å; R221-E269 IonicContact CZ-OE2 3.59Å; R221-E269 IonicContact NH1-OE2 2.67Å; R221-E269 PolarHBondContact NH1-OE2 2.75Å; R221-E269 IonicContact NH2-OE2 2.69Å; R221-E269 PolarHBondContact NH2-OE2 2.88Å; R221-M270 HydrophobicContact CB-SD 3.96Å |
| 222 | P | 88.9 | Confident | 87.3 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 21% | 0.208 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | 139.7 | 168.3 | -29.5 | 36.4 | 0 | 0 | 0 | 112.1 | V209 E210 H213 S224 M270 | V209-P222 HydrophobicContact CG1-CB 4.25Å; E210-P222 HydrophobicContact CG-CB 4.47Å; E210-P222 HydrophobicContact CG-CG 4.41Å; H213-P222 HydrophobicContact CB-CG 4.24Å; P222-S224 PolarHBondContact O-N 3.37Å; P222-M270 WeakPolarHBondContact O-CE 3.4Å |
| 223 | W | 93.2 | Very high | 86.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | -3.1 | -177.2 | -42.8 | 94.3 | 0 | 0 | 0 | 116.6 | Y173 F205 V206 V209 R221 Y225 L226 I227 L247 T250 V263 L267 M270 | Y173-W223 WeakPolarHBondContact OH-CA 3.3Å; Y173-W223 PolarHBondContact OH-N 3.37Å; F205-W223 HydrophobicContact CD1-CH2 4.26Å; F205-W223 HydrophobicContact CD1-CZ3 4.34Å; F205-W223 HydrophobicContact CE1-CH2 4.17Å; F205-W223 AromaticContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CE1-CZ3 3.8Å; F205-W223 HydrophobicContact CZ-CZ3 4.46Å; V206-W223 HydrophobicContact CB-CH2 4.45Å; V206-W223 HydrophobicContact CB-CZ2 4.18Å; V206-W223 HydrophobicContact CG1-CZ2 4.23Å; V206-W223 HydrophobicContact CG2-CH2 3.85Å; V206-W223 HydrophobicContact CG2-CZ2 3.8Å; V209-W223 HydrophobicContact CB-CH2 4.49Å; V209-W223 HydrophobicContact CB-CZ2 4.41Å; V209-W223 HydrophobicContact CG1-CD2 4.2Å; V209-W223 HydrophobicContact CG1-CZ2 4.43Å; V209-W223 HydrophobicContact CG2-CH2 4.21Å; V209-W223 HydrophobicContact CG2-CZ3 4.27Å; R221-W223 PolarHBondContact O-N 3.05Å; W223-Y225 PolarHBondContact O-N 3.23Å; W223-Y225 VanDerWaalsContact O-N 3.12Å; W223-L226 HydrophobicContact CE3-CD1 3.93Å; W223-L226 HydrophobicContact CZ3-CD1 4.27Å; W223-L226 PolarHBondContact O-N 2.93Å; W223-L226 VanDerWaalsContact O-N 3.1Å; W223-I227 PolarHBondContact O-N 3.43Å; W223-I227 VanDerWaalsContact O-N 3.14Å; W223-L247 HydrophobicContact CE3-CD2 3.66Å; W223-L247 HydrophobicContact CZ3-CD2 4.1Å; W223-T250 HydrophobicContact CH2-CG2 4Å; W223-V263 HydrophobicContact CD2-CG1 4.47Å; W223-V263 HydrophobicContact CZ2-CG1 4.12Å; W223-V263 HydrophobicContact CZ2-CG2 4.29Å; W223-L267 HydrophobicContact CB-CD2 3.64Å; W223-L267 HydrophobicContact CG-CD2 4.03Å; W223-M270 HydrophobicContact CB-CE 3.81Å |
| 224 | S | 92.9 | Very high | 85.4 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -53.8 | -37.2 | -177.7 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | H213 S219 R221 P222 L226 I227 N228 | H213-S224 PolarHBondContact CE1-OG 3.18Å; H213-S224 VanDerWaalsContact CE1-OG 3.29Å; S219-S224 PolarHBondContact O-OG 3.45Å; R221-S224 WeakPolarHBondContact O-CB 3.21Å; R221-S224 PolarHBondContact O-N 2.99Å; R221-S224 PolarHBondContact O-OG 2.87Å; P222-S224 PolarHBondContact O-N 3.37Å; S224-L226 PolarHBondContact O-N 3.26Å; S224-I227 PolarHBondContact O-N 3.14Å; S224-N228 WeakPolarHBondContact O-CB 3.44Å; S224-N228 PolarHBondContact O-N 2.77Å; S224-N228 PolarHBondContact O-ND2 3.06Å |
| 225 | Y | 93.7 | Very high | 84.9 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 9% | 0.09 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -37.4 | -178.4 | -61.8 | -11.3 | 0 | 0 | 0 | 112.8 | Y173 T177 Y212 S219 W223 N228 I229 | Y173-Y225 AromaticContact CD1-CD2 3.81Å; Y173-Y225 HydrophobicContact CD1-CD2 3.81Å; Y173-Y225 HydrophobicContact CD1-CE2 4.09Å; Y173-Y225 AromaticContact CE1-CD2 3.31Å; Y173-Y225 HydrophobicContact CE1-CD2 3.31Å; Y173-Y225 AromaticContact CE1-CE2 3.74Å; Y173-Y225 HydrophobicContact CE1-CE2 3.74Å; Y173-Y225 HydrophobicContact CE1-CG 4.06Å; Y173-Y225 HydrophobicContact CE2-CD2 4.39Å; Y173-Y225 AromaticContact CZ-CD2 3.65Å; Y173-Y225 AromaticContact CZ-CG 3.99Å; Y173-Y225 WeakPolarHBondContact O-CD2 3.15Å; T177-Y225 HydrophobicContact CG2-CD1 3.48Å; T177-Y225 VanDerWaalsContact CG2-CD1 3.48Å; T177-Y225 HydrophobicContact CG2-CD2 3.72Å; T177-Y225 HydrophobicContact CG2-CE1 3.32Å; T177-Y225 HydrophobicContact CG2-CE2 3.57Å; T177-Y225 HydrophobicContact CG2-CG 3.65Å; Y212-Y225 HydrophobicContact CD1-CE2 4.37Å; Y212-Y225 AromaticContact CE1-CE2 3.58Å; Y212-Y225 HydrophobicContact CE1-CE2 3.58Å; Y212-Y225 AromaticContact CE1-CZ 3.82Å; Y212-Y225 WeakPolarHBondContact CE1-OH 3.35Å; Y212-Y225 PolarHBondContact OH-OH 2.94Å; S219-Y225 WeakPolarHBondContact CB-OH 3.25Å; W223-Y225 PolarHBondContact O-N 3.23Å; W223-Y225 VanDerWaalsContact O-N 3.12Å; Y225-N228 PolarHBondContact O-N 3.42Å; Y225-I229 WeakPolarHBondContact O-CG1 3.27Å; Y225-I229 PolarHBondContact O-N 3.31Å |
| 226 | L | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.7 | -39.3 | 175.6 | -72.4 | 163 | 0 | 0 | 0 | 111 | Y173 L176 L188 W223 S224 N228 I229 L230 A243 L246 L247 | Y173-L226 HydrophobicContact CE2-CD1 4.48Å; L176-L226 HydrophobicContact CD1-CD2 4.01Å; L176-L226 HydrophobicContact CD1-CG 4.1Å; L188-L226 HydrophobicContact CD2-CD2 3.75Å; W223-L226 HydrophobicContact CE3-CD1 3.93Å; W223-L226 HydrophobicContact CZ3-CD1 4.27Å; W223-L226 PolarHBondContact O-N 2.93Å; W223-L226 VanDerWaalsContact O-N 3.1Å; S224-L226 PolarHBondContact O-N 3.26Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-N228 PolarHBondContact O-N 2.99Å; L226-I229 PolarHBondContact O-N 3.28Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 3.46Å; L226-A243 HydrophobicContact CD2-CB 3.78Å; L226-L246 HydrophobicContact CD1-CD2 4.41Å; L226-L246 HydrophobicContact CD2-CD2 4.27Å; L226-L247 HydrophobicContact CB-CD1 4.49Å; L226-L247 HydrophobicContact CD1-CD2 3.98Å; L226-L247 HydrophobicContact CD1-CG 4.31Å |
| 227 | I | 92.9 | Very high | 85 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.051 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 171.5 | -67.6 | -61.6 | 0 | 0 | 0 | 111.5 | W223 S224 I229 L230 N231 L267 M270 M272 I275 | W223-I227 PolarHBondContact O-N 3.43Å; W223-I227 VanDerWaalsContact O-N 3.14Å; S224-I227 PolarHBondContact O-N 3.14Å; I227-I229 PolarHBondContact O-N 3.25Å; I227-L230 PolarHBondContact O-N 3Å; I227-N231 WeakPolarHBondContact O-CB 3.36Å; I227-N231 PolarHBondContact O-N 2.87Å; I227-L267 HydrophobicContact CD1-CD2 3.91Å; I227-L267 HydrophobicContact CG1-CD2 4.18Å; I227-M270 HydrophobicContact CG1-CB 4.25Å; I227-M270 HydrophobicContact CG1-CE 3.74Å; I227-M270 HydrophobicContact CG1-SD 4.42Å; I227-M270 HydrophobicContact CG2-CB 4.25Å; I227-M272 HydrophobicContact CD1-CB 4.43Å; I227-M272 HydrophobicContact CD1-SD 3.73Å; I227-I275 HydrophobicContact CD1-CD1 4.3Å; I227-I275 HydrophobicContact CG2-CD1 3.83Å |
| 228 | N | 91.9 | Very high | 85.7 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 177.1 | -73 | -18.6 | 0 | 0 | 0 | 112.4 | S224 Y225 L226 N232 | S224-N228 WeakPolarHBondContact O-CB 3.44Å; S224-N228 PolarHBondContact O-N 2.77Å; S224-N228 PolarHBondContact O-ND2 3.06Å; Y225-N228 PolarHBondContact O-N 3.42Å; L226-N228 VanDerWaalsContact C-N 3.31Å; L226-N228 PolarHBondContact O-N 2.99Å; N228-N232 WeakPolarHBondContact O-CB 3.36Å; N228-N232 PolarHBondContact O-N 2.73Å |
| 229 | I | 92.4 | Very high | 86.3 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 173.9 | -67.8 | 165.4 | 0 | 0 | 0 | 110.1 | L176 V184 L188 Y225 L226 I227 N232 S235 L239 L240 A243 | L176-I229 HydrophobicContact CB-CD1 4.28Å; L176-I229 HydrophobicContact CD2-CD1 4.46Å; V184-I229 HydrophobicContact CG1-CD1 3.98Å; L188-I229 HydrophobicContact CD1-CD1 4.47Å; Y225-I229 WeakPolarHBondContact O-CG1 3.27Å; Y225-I229 PolarHBondContact O-N 3.31Å; L226-I229 PolarHBondContact O-N 3.28Å; I227-I229 PolarHBondContact O-N 3.25Å; I229-N232 PolarHBondContact O-N 3.33Å; I229-S235 PolarHBondContact O-OG 2.86Å; I229-L239 HydrophobicContact CG2-CB 4.19Å; I229-L240 VanDerWaalsContact O-CD2 3.31Å; I229-L240 WeakPolarHBondContact O-CD2 3.31Å; I229-A243 HydrophobicContact CG2-CB 3.98Å |
| 230 | L | 91.9 | Very high | 87 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70 | -31.1 | -177.7 | -68.2 | 171.6 | 0 | 0 | 0 | 114.4 | L226 I227 L240 A243 M244 L247 M272 I275 H279 | L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 3.46Å; I227-L230 PolarHBondContact O-N 3Å; L230-L240 HydrophobicContact CD2-CD2 4.13Å; L230-L240 WeakPolarHBondContact CD2-O 3.31Å; L230-A243 HydrophobicContact CD2-CB 4.1Å; L230-A243 HydrophobicContact CG-CB 4.21Å; L230-M244 HydrophobicContact CD1-SD 4.08Å; L230-M244 HydrophobicContact CD2-CB 4.22Å; L230-M244 HydrophobicContact CD2-SD 4.43Å; L230-L247 HydrophobicContact CD1-CD1 3.69Å; L230-M272 HydrophobicContact CD1-CE 4.07Å; L230-M272 HydrophobicContact CD1-SD 4.43Å; L230-I275 HydrophobicContact CB-CG2 4.01Å; L230-H279 PolarHBondContact O-NE2 3.3Å |
| 231 | N | 90.9 | Very high | 87.3 | Confident | 103 Ų | 103 | 44.8 Ų | 44.8 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -84.5 | -17.5 | 179.8 | -171.8 | 67.2 | 0 | 0 | 0 | 113.2 | I227 E233 I275 | I227-N231 WeakPolarHBondContact O-CB 3.36Å; I227-N231 PolarHBondContact O-N 2.87Å; N231-E233 PolarHBondContact O-N 3.34Å; N231-I275 HydrophobicContact CB-CD1 3.85Å; N231-I275 HydrophobicContact CB-CG1 4.19Å |
| 232 | N | 85.1 | Confident | 87.5 | Confident | 76 Ų | 76 | 39.4 Ų | 39.4 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | trans | -81.1 | 107.3 | 177.7 | 172.3 | 37.7 | 0 | 0 | 0 | 110.9 | N228 I229 A234 S235 | N228-N232 WeakPolarHBondContact O-CB 3.36Å; N228-N232 PolarHBondContact O-N 2.73Å; I229-N232 PolarHBondContact O-N 3.33Å; N232-A234 PolarHBondContact O-N 2.91Å; N232-A234 VanDerWaalsContact O-N 3.15Å; N232-A234 PolarHBondContact OD1-N 2.79Å; N232-S235 WeakPolarHBondContact CB-OG 3.44Å; N232-S235 PolarHBondContact ND2-N 3.36Å; N232-S235 VanDerWaalsContact ND2-N 3.17Å; N232-S235 PolarHBondContact ND2-OG 3.42Å; N232-S235 VanDerWaalsContact O-CB 3.25Å; N232-S235 WeakPolarHBondContact O-CB 3.32Å; N232-S235 PolarHBondContact O-N 3.37Å; N232-S235 PolarHBondContact O-OG 3.28Å | ||
| 233 | E | 68.2 | Low | 87.7 | Confident | 135 Ų | 135 | 37.9 Ų | 37.9 | 63% | 0.631 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.8 | 179.4 | -55 | -159.4 | 114 | 0 | 0 | 114.2 | N231 K282 | N231-E233 PolarHBondContact O-N 3.34Å; E233-K282 WeakPolarHBondContact OE1-CE 3.43Å; E233-K282 IonicContact OE1-NZ 2.65Å; E233-K282 PolarHBondContact OE1-NZ 3.48Å |
| 234 | A | 70.3 | Confident | 87.7 | Confident | 81 Ų | 81 | 37.7 Ų | 37.7 | 67% | 0.669 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N232 | N232-A234 PolarHBondContact O-N 2.91Å; N232-A234 VanDerWaalsContact O-N 3.15Å; N232-A234 PolarHBondContact OD1-N 2.79Å |
| 235 | S | 75.3 | Confident | 87.6 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -65.3 | 157.1 | 170.2 | -72.7 | 0 | 0 | 0 | 0 | 111.1 | I229 N232 | I229-S235 PolarHBondContact O-OG 2.86Å; N232-S235 WeakPolarHBondContact CB-OG 3.44Å; N232-S235 PolarHBondContact ND2-N 3.36Å; N232-S235 VanDerWaalsContact ND2-N 3.17Å; N232-S235 PolarHBondContact ND2-OG 3.42Å; N232-S235 VanDerWaalsContact O-CB 3.25Å; N232-S235 WeakPolarHBondContact O-CB 3.32Å; N232-S235 PolarHBondContact O-N 3.37Å; N232-S235 PolarHBondContact O-OG 3.28Å |
| 236 | D | 82.1 | Confident | 87.5 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | trans | -63.2 | 146 | 168.3 | -153.6 | -27.8 | 0 | 0 | 0 | 110.8 | R181 E238 L239 L240 | R181-D236 IonicContact CZ-OD2 2.8Å; R181-D236 IonicContact NE-OD2 3.72Å; R181-D236 PolarHBondContact NE-OD2 3.46Å; R181-D236 IonicContact NH2-OD1 3.23Å; R181-D236 PolarHBondContact NH2-OD1 3.23Å; R181-D236 IonicContact NH2-OD2 2.98Å; R181-D236 PolarHBondContact NH2-OD2 3.27Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.76Å; D236-E238 PolarHBondContact OD1-N 3.49Å; D236-L239 HydrophobicContact CB-CB 3.82Å; D236-L239 HydrophobicContact CB-CD1 3.81Å; D236-L239 HydrophobicContact CB-CG 3.62Å; D236-L239 PolarHBondContact O-N 2.68Å; D236-L239 VanDerWaalsContact O-N 3.16Å; D236-L240 VanDerWaalsContact O-CG 3.32Å; D236-L240 WeakPolarHBondContact O-CG 3.35Å; D236-L240 PolarHBondContact O-N 3.27Å | ||
| 237 | L | 87.3 | Confident | 87.5 | Confident | 71 Ų | 71 | 36.3 Ų | 36.3 | 37% | 0.372 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 169 | 176.1 | 59.2 | 0 | 0 | 0 | 110.3 | L239 L240 I241 D286 L289 | L237-L239 VanDerWaalsContact C-N 3.32Å; L237-L239 PolarHBondContact O-N 2.71Å; L237-L240 PolarHBondContact O-N 3.26Å; L237-I241 HydrophobicContact CD1-CD1 3.88Å; L237-I241 HydrophobicContact CD1-CG1 4.16Å; L237-I241 HydrophobicContact CG-CD1 3.86Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.28Å; L237-D286 HydrophobicContact CD1-CB 3.71Å; L237-D286 HydrophobicContact CD2-CB 3.9Å; L237-D286 HydrophobicContact CG-CB 4.45Å; L237-L289 HydrophobicContact CD1-CB 4.06Å; L237-L289 HydrophobicContact CD1-CD2 4.01Å |
| 238 | E | 85.3 | Confident | 87.5 | Confident | 66 Ų | 66 | 36.3 Ų | 36.3 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 173.6 | -66.9 | -175.1 | -175.7 | 0 | 0 | 112.1 | K185 D236 I241 Y242 | K185-E238 WeakPolarHBondContact CD-OE2 3.42Å; K185-E238 WeakPolarHBondContact CE-OE2 3.23Å; K185-E238 IonicContact NZ-OE1 2.73Å; K185-E238 PolarHBondContact NZ-OE1 2.8Å; K185-E238 IonicContact NZ-OE2 2.8Å; K185-E238 PolarHBondContact NZ-OE2 2.85Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.76Å; D236-E238 PolarHBondContact OD1-N 3.49Å; E238-I241 PolarHBondContact O-N 3.19Å; E238-Y242 HydrophobicContact CB-CD2 4.41Å; E238-Y242 HydrophobicContact CB-CE2 3.96Å; E238-Y242 VanDerWaalsContact O-CB 3.31Å; E238-Y242 WeakPolarHBondContact O-CB 3.37Å; E238-Y242 WeakPolarHBondContact O-CD1 3.3Å; E238-Y242 WeakPolarHBondContact O-CD2 3.38Å; E238-Y242 PolarHBondContact O-N 2.7Å |
| 239 | L | 90.2 | Very high | 87.4 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.068 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -35.6 | -179.8 | -69 | 177.4 | 0 | 0 | 0 | 111.8 | R181 V184 K185 L188 I229 D236 L237 A243 | R181-L239 HydrophobicContact CG-CD1 3.96Å; V184-L239 HydrophobicContact CB-CD2 4.38Å; V184-L239 HydrophobicContact CG1-CD2 4.01Å; K185-L239 HydrophobicContact CB-CD2 4Å; L188-L239 HydrophobicContact CD1-CD2 3.73Å; I229-L239 HydrophobicContact CG2-CB 4.19Å; D236-L239 HydrophobicContact CB-CB 3.82Å; D236-L239 HydrophobicContact CB-CD1 3.81Å; D236-L239 HydrophobicContact CB-CG 3.62Å; D236-L239 PolarHBondContact O-N 2.68Å; D236-L239 VanDerWaalsContact O-N 3.16Å; L237-L239 VanDerWaalsContact C-N 3.32Å; L237-L239 PolarHBondContact O-N 2.71Å; L239-A243 WeakPolarHBondContact O-CB 3.48Å; L239-A243 PolarHBondContact O-N 3.41Å |
| 240 | L | 91.7 | Very high | 87.4 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 173.2 | -67.3 | 173.6 | 0 | 0 | 0 | 110.9 | I229 L230 D236 L237 M244 L289 | I229-L240 VanDerWaalsContact O-CD2 3.31Å; I229-L240 WeakPolarHBondContact O-CD2 3.31Å; L230-L240 HydrophobicContact CD2-CD2 4.13Å; L230-L240 WeakPolarHBondContact CD2-O 3.31Å; D236-L240 VanDerWaalsContact O-CG 3.32Å; D236-L240 WeakPolarHBondContact O-CG 3.35Å; D236-L240 PolarHBondContact O-N 3.27Å; L237-L240 PolarHBondContact O-N 3.26Å; L240-M244 WeakPolarHBondContact O-CB 3.45Å; L240-M244 PolarHBondContact O-N 3.41Å; L240-L289 HydrophobicContact CB-CD1 4Å; L240-L289 HydrophobicContact CB-CD2 4.1Å; L240-L289 HydrophobicContact CD1-CD2 4.01Å |
| 241 | I | 89.7 | Confident | 87.4 | Confident | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -54.1 | 177 | -69 | 167.9 | 0 | 0 | 0 | 110.1 | L237 E238 A243 M244 T245 E288 L289 | L237-I241 HydrophobicContact CD1-CD1 3.88Å; L237-I241 HydrophobicContact CD1-CG1 4.16Å; L237-I241 HydrophobicContact CG-CD1 3.86Å; L237-I241 WeakPolarHBondContact O-CG1 3.47Å; L237-I241 PolarHBondContact O-N 3.28Å; E238-I241 PolarHBondContact O-N 3.19Å; I241-A243 VanDerWaalsContact C-N 3.32Å; I241-A243 PolarHBondContact O-N 2.7Å; I241-M244 PolarHBondContact O-N 3.02Å; I241-T245 WeakPolarHBondContact O-CB 3.25Å; I241-T245 PolarHBondContact O-N 2.67Å; I241-T245 PolarHBondContact O-OG1 3.18Å; I241-T245 VanDerWaalsContact O-OG1 3.05Å; I241-E288 HydrophobicContact CD1-CB 4.09Å; I241-E288 HydrophobicContact CD1-CG 4.16Å; I241-E288 HydrophobicContact CG2-CG 4.29Å; I241-E288 WeakPolarHBondContact CG2-OE1 3.32Å; I241-L289 HydrophobicContact CG1-CB 4.02Å; I241-L289 HydrophobicContact CG1-CD1 4.35Å |
| 242 | Y | 89.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -37.6 | -178 | -60.6 | -15.1 | 0 | 0 | 0 | 112.5 | K185 K189 E238 L246 D1304 L1307 | K185-Y242 HydrophobicContact CG-CE2 4.16Å; K189-Y242 HydrophobicContact CD-CE2 4.27Å; K189-Y242 WeakPolarHBondContact CE-OH 3.4Å; K189-Y242 HydrophobicContact CG-CD2 4.28Å; K189-Y242 HydrophobicContact CG-CE2 4.15Å; K189-Y242 PolarHBondContact NZ-OH 3Å; K189-Y242 VanDerWaalsContact NZ-OH 3.13Å; E238-Y242 HydrophobicContact CB-CD2 4.41Å; E238-Y242 HydrophobicContact CB-CE2 3.96Å; E238-Y242 VanDerWaalsContact O-CB 3.31Å; E238-Y242 WeakPolarHBondContact O-CB 3.37Å; E238-Y242 WeakPolarHBondContact O-CD1 3.3Å; E238-Y242 WeakPolarHBondContact O-CD2 3.38Å; E238-Y242 PolarHBondContact O-N 2.7Å; Y242-L246 VanDerWaalsContact O-CB 3.22Å; Y242-L246 WeakPolarHBondContact O-CB 3.44Å; Y242-L246 PolarHBondContact O-N 3.02Å; Y242-D1304 PolarHBondContact OH-OD1 3.11Å; Y242-L1307 HydrophobicContact CD1-CD1 3.76Å; Y242-L1307 HydrophobicContact CD1-CD2 3.45Å; Y242-L1307 VanDerWaalsContact CD1-CD2 3.45Å; Y242-L1307 HydrophobicContact CD1-CG 4.22Å; Y242-L1307 HydrophobicContact CE1-CD1 3.27Å; Y242-L1307 HydrophobicContact CE1-CD2 3.64Å; Y242-L1307 HydrophobicContact CE1-CG 3.98Å; Y242-L1307 HydrophobicContact CG-CD2 4.48Å |
| 243 | A | 93.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L226 I229 L230 L239 I241 L247 | L226-A243 HydrophobicContact CD2-CB 3.78Å; I229-A243 HydrophobicContact CG2-CB 3.98Å; L230-A243 HydrophobicContact CD2-CB 4.1Å; L230-A243 HydrophobicContact CG-CB 4.21Å; L239-A243 WeakPolarHBondContact O-CB 3.48Å; L239-A243 PolarHBondContact O-N 3.41Å; I241-A243 VanDerWaalsContact C-N 3.32Å; I241-A243 PolarHBondContact O-N 2.7Å; A243-L247 WeakPolarHBondContact O-CG 3.35Å; A243-L247 PolarHBondContact O-N 2.8Å |
| 244 | M | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.9 | -42.9 | 179.4 | -162.1 | 66.5 | -155.5 | 0 | 0 | 112.2 | L230 L240 I241 L246 L247 N248 M272 Q292 L293 Y296 | L230-M244 HydrophobicContact CD1-SD 4.08Å; L230-M244 HydrophobicContact CD2-CB 4.22Å; L230-M244 HydrophobicContact CD2-SD 4.43Å; L240-M244 WeakPolarHBondContact O-CB 3.45Å; L240-M244 PolarHBondContact O-N 3.41Å; I241-M244 PolarHBondContact O-N 3.02Å; M244-L246 PolarHBondContact O-N 3.32Å; M244-L247 PolarHBondContact O-N 3.02Å; M244-N248 WeakPolarHBondContact O-CB 3.27Å; M244-N248 PolarHBondContact O-N 3.34Å; M244-M272 HydrophobicContact CE-CE 3.89Å; M244-M272 HydrophobicContact SD-CE 3.87Å; M244-Q292 HydrophobicContact CB-CB 4.05Å; M244-Q292 HydrophobicContact CG-CB 3.64Å; M244-L293 HydrophobicContact CE-CD2 4.2Å; M244-L293 HydrophobicContact CG-CD2 4.36Å; M244-L293 HydrophobicContact SD-CD2 3.88Å; M244-Y296 HydrophobicContact CE-CD1 4.46Å; M244-Y296 HydrophobicContact CE-CD2 4.07Å; M244-Y296 HydrophobicContact CE-CG 3.73Å |
| 245 | T | 90.5 | Very high | 89 | Confident | 4 Ų | 4 | 18 Ų | 18 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.5 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | L192 I241 N248 K249 Q292 L1307 | L192-T245 HydrophobicContact CD1-CG2 4.18Å; L192-T245 HydrophobicContact CD2-CG2 4.37Å; I241-T245 WeakPolarHBondContact O-CB 3.25Å; I241-T245 PolarHBondContact O-N 2.67Å; I241-T245 PolarHBondContact O-OG1 3.18Å; I241-T245 VanDerWaalsContact O-OG1 3.05Å; T245-N248 PolarHBondContact O-N 2.79Å; T245-K249 HydrophobicContact CG2-CG 4.4Å; T245-K249 WeakPolarHBondContact O-CG 3.43Å; T245-K249 PolarHBondContact O-N 2.71Å; T245-Q292 VanDerWaalsContact OG1-CD 3.28Å; T245-L1307 HydrophobicContact CG2-CD2 4.43Å |
| 246 | L | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.2 | 178.3 | 60.2 | 0 | 0 | 0 | 112.1 | L188 Q191 L192 V195 F205 L226 Y242 M244 T250 | L188-L246 HydrophobicContact CD2-CD2 4Å; Q191-L246 HydrophobicContact CB-CD1 4.25Å; Q191-L246 HydrophobicContact CB-CD2 3.85Å; L192-L246 HydrophobicContact CD1-CB 4.23Å; L192-L246 HydrophobicContact CD1-CD1 4.26Å; V195-L246 HydrophobicContact CB-CD1 4.33Å; V195-L246 HydrophobicContact CG2-CD1 3.96Å; F205-L246 HydrophobicContact CD1-CD1 4.49Å; F205-L246 HydrophobicContact CE1-CD1 3.97Å; F205-L246 HydrophobicContact CE1-CD2 4.14Å; F205-L246 HydrophobicContact CE1-CG 4.04Å; F205-L246 HydrophobicContact CZ-CD1 4.45Å; F205-L246 HydrophobicContact CZ-CD2 3.99Å; F205-L246 HydrophobicContact CZ-CG 4.41Å; L226-L246 HydrophobicContact CD1-CD2 4.41Å; L226-L246 HydrophobicContact CD2-CD2 4.27Å; Y242-L246 VanDerWaalsContact O-CB 3.22Å; Y242-L246 WeakPolarHBondContact O-CB 3.44Å; Y242-L246 PolarHBondContact O-N 3.02Å; M244-L246 PolarHBondContact O-N 3.32Å; L246-T250 VanDerWaalsContact O-CB 3.25Å; L246-T250 WeakPolarHBondContact O-CB 3.23Å; L246-T250 PolarHBondContact O-N 2.9Å; L246-T250 PolarHBondContact O-OG1 3.26Å |
| 247 | L | 94 | Very high | 89.6 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 173.9 | -73.9 | 172.5 | 0 | 0 | 0 | 111.6 | W223 L226 L230 A243 M244 T250 L251 L267 M272 | W223-L247 HydrophobicContact CE3-CD2 3.66Å; W223-L247 HydrophobicContact CZ3-CD2 4.1Å; L226-L247 HydrophobicContact CB-CD1 4.49Å; L226-L247 HydrophobicContact CD1-CD2 3.98Å; L226-L247 HydrophobicContact CD1-CG 4.31Å; L230-L247 HydrophobicContact CD1-CD1 3.69Å; A243-L247 WeakPolarHBondContact O-CG 3.35Å; A243-L247 PolarHBondContact O-N 2.8Å; M244-L247 PolarHBondContact O-N 3.02Å; L247-T250 PolarHBondContact O-N 3.05Å; L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.05Å; L247-L251 PolarHBondContact O-N 2.93Å; L247-L267 HydrophobicContact CD2-CD1 4.43Å; L247-L267 HydrophobicContact CD2-CD2 4.23Å; L247-M272 HydrophobicContact CD1-CE 3.83Å |
| 248 | N | 92.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 14.8 Ų | 14.8 | 5% | 0.053 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | -179.1 | -77.4 | -20 | 0 | 0 | 0 | 112.4 | M244 T245 T250 L251 N252 Q292 L295 | M244-N248 WeakPolarHBondContact O-CB 3.27Å; M244-N248 PolarHBondContact O-N 3.34Å; T245-N248 PolarHBondContact O-N 2.79Å; N248-T250 PolarHBondContact O-N 3.42Å; N248-L251 PolarHBondContact O-N 2.95Å; N248-N252 WeakPolarHBondContact O-CB 3.18Å; N248-N252 PolarHBondContact O-N 3.14Å; N248-Q292 PolarHBondContact ND2-O 2.85Å; N248-Q292 PolarHBondContact ND2-OE1 2.78Å; N248-L295 HydrophobicContact CB-CD2 4.21Å |
| 249 | K | 89.3 | Confident | 89.5 | Confident | 38 Ų | 38 | 12.2 Ų | 12.2 | 17% | 0.165 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 174.7 | -68.6 | -155 | -178.4 | -164.2 | 0 | 111.1 | L192 V195 D196 T245 L251 N252 S253 S1310 | L192-K249 HydrophobicContact CD1-CD 3.97Å; L192-K249 HydrophobicContact CD1-CG 4.34Å; V195-K249 HydrophobicContact CG1-CB 4.14Å; D196-K249 HydrophobicContact CB-CD 4.45Å; D196-K249 VanDerWaalsContact OD1-CD 3.31Å; D196-K249 WeakPolarHBondContact OD1-CD 3.4Å; D196-K249 IonicContact OD1-NZ 3.43Å; D196-K249 PolarHBondContact OD1-NZ 2.77Å; D196-K249 IonicContact OD2-NZ 3.92Å; D196-K249 PolarHBondContact OD2-NZ 3.43Å; T245-K249 HydrophobicContact CG2-CG 4.4Å; T245-K249 WeakPolarHBondContact O-CG 3.43Å; T245-K249 PolarHBondContact O-N 2.71Å; K249-L251 PolarHBondContact O-N 3Å; K249-N252 PolarHBondContact O-N 3.03Å; K249-S253 PolarHBondContact O-N 3.3Å; K249-S253 VanDerWaalsContact O-N 3.08Å; K249-S253 PolarHBondContact O-OG 3.45Å; K249-S1310 VanDerWaalsContact CE-OG 3.29Å; K249-S1310 WeakPolarHBondContact CE-OG 3.4Å; K249-S1310 PolarHBondContact NZ-OG 2.94Å |
| 250 | T | 92.5 | Very high | 89.5 | Confident | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.4 | -48.6 | 177.3 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | A202 F205 V206 W223 L246 L247 N248 I254 | A202-T250 HydrophobicContact CB-CG2 4.28Å; F205-T250 HydrophobicContact CD1-CG2 4.14Å; V206-T250 HydrophobicContact CG2-CG2 3.7Å; W223-T250 HydrophobicContact CH2-CG2 4Å; L246-T250 VanDerWaalsContact O-CB 3.25Å; L246-T250 WeakPolarHBondContact O-CB 3.23Å; L246-T250 PolarHBondContact O-N 2.9Å; L246-T250 PolarHBondContact O-OG1 3.26Å; L247-T250 PolarHBondContact O-N 3.05Å; N248-T250 PolarHBondContact O-N 3.42Å; T250-I254 WeakPolarHBondContact O-CG1 3.44Å; T250-I254 PolarHBondContact O-N 2.76Å |
| 251 | L | 92.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.021 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 179.4 | -74.6 | 171.8 | 0 | 0 | 0 | 112.6 | L247 N248 K249 I254 F260 V263 T264 L267 Y296 R326 | L247-L251 WeakPolarHBondContact O-CB 3.3Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.05Å; L247-L251 PolarHBondContact O-N 2.93Å; N248-L251 PolarHBondContact O-N 2.95Å; K249-L251 PolarHBondContact O-N 3Å; L251-I254 HydrophobicContact CD2-CD1 4.1Å; L251-I254 PolarHBondContact O-N 3.24Å; L251-F260 HydrophobicContact CB-CE2 4.26Å; L251-F260 HydrophobicContact CD2-CD2 4.2Å; L251-F260 HydrophobicContact CD2-CE2 4.29Å; L251-V263 HydrophobicContact CD2-CB 4.17Å; L251-V263 HydrophobicContact CD2-CG1 3.72Å; L251-T264 HydrophobicContact CD1-CG2 4.11Å; L251-T264 HydrophobicContact CD2-CG2 3.7Å; L251-L267 HydrophobicContact CD1-CD1 4.31Å; L251-Y296 HydrophobicContact CD1-CD2 3.73Å; L251-Y296 HydrophobicContact CD1-CE2 3.63Å; L251-R326 PolarHBondContact O-NH2 2.81Å |
| 252 | N | 88.9 | Confident | 89.4 | Confident | 44 Ų | 44 | 12.9 Ų | 12.9 | 24% | 0.235 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | -179.9 | -158 | 39.1 | 0 | 0 | 0 | 111.4 | N248 K249 I254 S320 R322 R326 | N248-N252 WeakPolarHBondContact O-CB 3.18Å; N248-N252 PolarHBondContact O-N 3.14Å; K249-N252 PolarHBondContact O-N 3.03Å; N252-I254 PolarHBondContact O-N 3.11Å; N252-S320 PolarHBondContact ND2-O 2.9Å; N252-R322 WeakPolarHBondContact OD1-CB 3.49Å; N252-R322 PolarHBondContact OD1-N 2.65Å; N252-R322 VanDerWaalsContact OD1-N 3.07Å; N252-R326 PolarHBondContact O-NH2 3.07Å |
| 253 | S | 86.4 | Confident | 89.4 | Confident | 22 Ų | 22 | 12.8 Ų | 12.8 | 15% | 0.154 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -78.3 | -6.2 | -178.9 | -58.3 | 0 | 0 | 0 | 0 | 115.4 | K249 P255 | K249-S253 PolarHBondContact O-N 3.3Å; K249-S253 VanDerWaalsContact O-N 3.08Å; K249-S253 PolarHBondContact O-OG 3.45Å; S253-P255 WeakPolarHBondContact O-CD 3.43Å |
| 254 | I | 88.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -62.6 | 126.7 | 169.5 | -72.7 | 166.4 | 0 | 0 | 0 | 109.3 | M203 V206 T250 L251 N252 D256 T259 F260 V263 R326 | M203-I254 HydrophobicContact SD-CG1 4.13Å; M203-I254 HydrophobicContact SD-CG2 4.39Å; V206-I254 HydrophobicContact CG2-CD1 4.45Å; T250-I254 WeakPolarHBondContact O-CG1 3.44Å; T250-I254 PolarHBondContact O-N 2.76Å; L251-I254 HydrophobicContact CD2-CD1 4.1Å; L251-I254 PolarHBondContact O-N 3.24Å; N252-I254 PolarHBondContact O-N 3.11Å; I254-D256 WeakPolarHBondContact CG2-O 3.44Å; I254-T259 HydrophobicContact CD1-CG2 4.29Å; I254-T259 HydrophobicContact CG1-CG2 4.46Å; I254-T259 HydrophobicContact CG2-CG2 3.94Å; I254-F260 HydrophobicContact CG2-CB 4.15Å; I254-V263 HydrophobicContact CD1-CB 4.44Å; I254-V263 HydrophobicContact CD1-CG2 4.08Å; I254-R326 WeakPolarHBondContact O-CD 3.45Å; I254-R326 PolarHBondContact O-NE 3.23Å | ||
| 255 | P | 83.3 | Confident | 89.2 | Confident | 15 Ų | 15 | 13.3 Ų | 13.3 | 10% | 0.097 | 7% | 0.072 | C | C | . | . | trans | -82.5 | -29.7 | -173.6 | 31.2 | -35.2 | 0 | 0 | 0 | 114.3 | M203 S253 R322 F332 L341 | M203-P255 HydrophobicContact CG-CG 4.45Å; S253-P255 WeakPolarHBondContact O-CD 3.43Å; P255-R322 PolarHBondContact O-NH1 2.86Å; P255-F332 HydrophobicContact CB-CD1 4.34Å; P255-F332 HydrophobicContact CB-CD2 4.25Å; P255-F332 HydrophobicContact CB-CE1 3.87Å; P255-F332 HydrophobicContact CB-CE2 3.77Å; P255-F332 HydrophobicContact CB-CZ 3.57Å; P255-F332 HydrophobicContact CG-CD1 4.22Å; P255-F332 HydrophobicContact CG-CE1 3.66Å; P255-F332 HydrophobicContact CG-CE2 4.48Å; P255-F332 HydrophobicContact CG-CZ 3.82Å; P255-L341 HydrophobicContact CG-CD1 4.44Å | ||
| 256 | D | 83.5 | Confident | 89.1 | Confident | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -113.3 | 146.7 | -172.9 | 80.5 | 95.8 | 0 | 0 | 0 | 114.1 | I254 D258 T259 F260 M327 R329 F332 | I254-D256 WeakPolarHBondContact CG2-O 3.44Å; D256-D258 PolarHBondContact O-N 3.22Å; D256-D258 PolarHBondContact OD1-N 3.03Å; D256-T259 PolarHBondContact O-N 2.86Å; D256-T259 PolarHBondContact OD1-N 2.97Å; D256-T259 PolarHBondContact OD1-OG1 3.31Å; D256-T259 VanDerWaalsContact OD2-CB 3.22Å; D256-T259 WeakPolarHBondContact OD2-CB 3.4Å; D256-T259 PolarHBondContact OD2-OG1 3.07Å; D256-F260 PolarHBondContact O-N 3.46Å; D256-F260 VanDerWaalsContact O-N 3.16Å; D256-M327 WeakPolarHBondContact CA-O 3.22Å; D256-R329 HydrophobicContact CB-CB 4.33Å; D256-R329 WeakPolarHBondContact OD1-CB 3.22Å; D256-R329 IonicContact OD1-CZ 3.74Å; D256-R329 IonicContact OD1-NE 3.71Å; D256-R329 PolarHBondContact OD1-NE 3.11Å; D256-R329 IonicContact OD1-NH2 2.76Å; D256-F332 HydrophobicContact CB-CB 4Å; D256-F332 HydrophobicContact CB-CD1 4.24Å; D256-F332 HydrophobicContact CB-CG 4.26Å |
| 257 | Q | 87.2 | Confident | 89.1 | Confident | 32 Ų | 32 | 14.3 Ų | 14.3 | 15% | 0.15 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.8 | -31.1 | -171.9 | -169.4 | 174.9 | 69.4 | 0 | 0 | 112.6 | Y261 E303 R326 M327 | Q257-Y261 HydrophobicContact CG-CD2 3.75Å; Q257-Y261 HydrophobicContact CG-CE2 3.54Å; Q257-Y261 VanDerWaalsContact O-CD2 3.24Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.5Å; Q257-Y261 PolarHBondContact O-N 3.33Å; Q257-E303 PolarHBondContact NE2-OE2 3.23Å; Q257-R326 HydrophobicContact CB-CB 3.8Å; Q257-M327 WeakPolarHBondContact CB-O 3.42Å; Q257-M327 PolarHBondContact N-O 3.23Å |
| 258 | D | 84.8 | Confident | 88.9 | Confident | 25 Ų | 25 | 15.3 Ų | 15.3 | 13% | 0.134 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.5 | -38.4 | 179.5 | -65.5 | -73 | 0 | 0 | 0 | 111.4 | D256 Y261 D262 R329 R1337 | D256-D258 PolarHBondContact O-N 3.22Å; D256-D258 PolarHBondContact OD1-N 3.03Å; D258-Y261 PolarHBondContact O-N 3.36Å; D258-D262 VanDerWaalsContact O-CB 3.3Å; D258-D262 WeakPolarHBondContact O-CB 3.27Å; D258-D262 PolarHBondContact O-N 3.13Å; D258-R329 VanDerWaalsContact C-NH2 3.28Å; D258-R329 HydrophobicContact CB-CB 4.02Å; D258-R329 WeakPolarHBondContact OD2-CB 3.44Å; D258-R329 PolarHBondContact OD2-N 3.36Å; D258-R1337 PolarHBondContact O-NH1 3.13Å; D258-R1337 IonicContact OD1-NH1 3.3Å |
| 259 | T | 86.5 | Confident | 88.7 | Confident | 13 Ų | 13 | 20.8 Ų | 20.8 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.8 | -39.9 | 174.8 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | M203 I254 D256 Y261 D262 V263 R329 | M203-T259 HydrophobicContact CE-CG2 4.07Å; M203-T259 HydrophobicContact SD-CG2 4.08Å; I254-T259 HydrophobicContact CD1-CG2 4.29Å; I254-T259 HydrophobicContact CG1-CG2 4.46Å; I254-T259 HydrophobicContact CG2-CG2 3.94Å; D256-T259 PolarHBondContact O-N 2.86Å; D256-T259 PolarHBondContact OD1-N 2.97Å; D256-T259 PolarHBondContact OD1-OG1 3.31Å; D256-T259 VanDerWaalsContact OD2-CB 3.22Å; D256-T259 WeakPolarHBondContact OD2-CB 3.4Å; D256-T259 PolarHBondContact OD2-OG1 3.07Å; T259-Y261 VanDerWaalsContact C-N 3.31Å; T259-Y261 PolarHBondContact O-N 2.95Å; T259-D262 PolarHBondContact O-N 3.46Å; T259-V263 WeakPolarHBondContact O-CG2 3.38Å; T259-V263 PolarHBondContact O-N 3.43Å; T259-R329 PolarHBondContact OG1-NE 3.24Å; T259-R329 PolarHBondContact OG1-NH2 2.97Å |
| 260 | F | 90.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | 174.3 | 175.5 | -89.7 | 0 | 0 | 0 | 111.3 | L251 I254 D256 T264 L300 E303 | L251-F260 HydrophobicContact CB-CE2 4.26Å; L251-F260 HydrophobicContact CD2-CD2 4.2Å; L251-F260 HydrophobicContact CD2-CE2 4.29Å; I254-F260 HydrophobicContact CG2-CB 4.15Å; D256-F260 PolarHBondContact O-N 3.46Å; D256-F260 VanDerWaalsContact O-N 3.16Å; F260-T264 HydrophobicContact CE1-CG2 4.21Å; F260-T264 HydrophobicContact CE2-CG2 4.33Å; F260-T264 HydrophobicContact CZ-CG2 4.07Å; F260-T264 WeakPolarHBondContact O-CB 3.36Å; F260-T264 WeakPolarHBondContact O-CG2 3.5Å; F260-T264 PolarHBondContact O-N 3.45Å; F260-T264 PolarHBondContact O-OG1 3.2Å; F260-L300 HydrophobicContact CE1-CD2 4.25Å; F260-L300 HydrophobicContact CZ-CD2 4.32Å; F260-E303 HydrophobicContact CD1-CB 4.27Å; F260-E303 HydrophobicContact CD1-CG 3.99Å; F260-E303 HydrophobicContact CE1-CB 3.79Å; F260-E303 HydrophobicContact CE1-CG 3.73Å; F260-E303 HydrophobicContact CZ-CB 4.39Å; F260-E303 HydrophobicContact CZ-CG 4.05Å |
| 261 | Y | 89.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.6 | -30.7 | 175.1 | -72.4 | -56.6 | 0 | 0 | 0 | 114.2 | Q257 D258 T259 V263 T264 D265 E303 D304 R1337 S1339 | Q257-Y261 HydrophobicContact CG-CD2 3.75Å; Q257-Y261 HydrophobicContact CG-CE2 3.54Å; Q257-Y261 VanDerWaalsContact O-CD2 3.24Å; Q257-Y261 WeakPolarHBondContact O-CD2 3.5Å; Q257-Y261 PolarHBondContact O-N 3.33Å; D258-Y261 PolarHBondContact O-N 3.36Å; T259-Y261 VanDerWaalsContact C-N 3.31Å; T259-Y261 PolarHBondContact O-N 2.95Å; Y261-V263 VanDerWaalsContact C-N 3.31Å; Y261-V263 PolarHBondContact O-N 3.46Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.36Å; Y261-D265 WeakPolarHBondContact O-CB 3.15Å; Y261-D265 PolarHBondContact O-N 3.35Å; Y261-E303 VanDerWaalsContact OH-C 3.26Å; Y261-E303 PolarHBondContact OH-O 2.89Å; Y261-D304 WeakPolarHBondContact OH-CA 3.43Å; Y261-D304 PolarHBondContact OH-N 3.17Å; Y261-D304 PolarHBondContact OH-OD1 2.86Å; Y261-R1337 HydrophobicContact CD2-CB 3.94Å; Y261-R1337 HydrophobicContact CD2-CG 3.66Å; Y261-R1337 HydrophobicContact CE2-CB 4.11Å; Y261-R1337 HydrophobicContact CE2-CG 4.16Å; Y261-R1337 VanDerWaalsContact CE2-O 3.32Å; Y261-R1337 WeakPolarHBondContact CE2-O 3.29Å; Y261-R1337 HydrophobicContact CG-CG 4.05Å; Y261-R1337 PolarHBondContact O-NH2 3.43Å; Y261-R1337 PolarHBondContact OH-O 3.44Å; Y261-S1339 VanDerWaalsContact CE1-N 3.33Å |
| 262 | D | 88 | Confident | 88.5 | Confident | 46 Ų | 46 | 21.7 Ų | 21.7 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 174.6 | -71.5 | -22 | 0 | 0 | 0 | 111.3 | D258 T259 C266 R329 S366 R1337 | D258-D262 VanDerWaalsContact O-CB 3.3Å; D258-D262 WeakPolarHBondContact O-CB 3.27Å; D258-D262 PolarHBondContact O-N 3.13Å; T259-D262 PolarHBondContact O-N 3.46Å; D262-C266 WeakPolarHBondContact O-CB 3.38Å; D262-R329 IonicContact OD2-CZ 2.72Å; D262-R329 IonicContact OD2-NH1 3.73Å; D262-R329 PolarHBondContact OD2-NH1 3.12Å; D262-R329 IonicContact OD2-NH2 3.08Å; D262-R329 PolarHBondContact OD2-NH2 2.77Å; D262-S366 PolarHBondContact OD1-OG 3.45Å; D262-R1337 IonicContact OD1-CZ 3.55Å; D262-R1337 VanDerWaalsContact OD1-CZ 3.25Å; D262-R1337 IonicContact OD1-NH1 2.65Å; D262-R1337 PolarHBondContact OD1-NH1 3.45Å; D262-R1337 IonicContact OD1-NH2 3.62Å; D262-R1337 PolarHBondContact OD1-NH2 3.33Å |
| 263 | V | 91.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -76.1 | -49.6 | 172.5 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | V206 W223 L251 I254 T259 Y261 C266 L267 | V206-V263 HydrophobicContact CG1-CG2 4.2Å; W223-V263 HydrophobicContact CD2-CG1 4.47Å; W223-V263 HydrophobicContact CZ2-CG1 4.12Å; W223-V263 HydrophobicContact CZ2-CG2 4.29Å; L251-V263 HydrophobicContact CD2-CB 4.17Å; L251-V263 HydrophobicContact CD2-CG1 3.72Å; I254-V263 HydrophobicContact CD1-CB 4.44Å; I254-V263 HydrophobicContact CD1-CG2 4.08Å; T259-V263 WeakPolarHBondContact O-CG2 3.38Å; T259-V263 PolarHBondContact O-N 3.43Å; Y261-V263 VanDerWaalsContact C-N 3.31Å; Y261-V263 PolarHBondContact O-N 3.46Å; V263-C266 WeakPolarHBondContact O-CB 3.26Å; V263-C266 PolarHBondContact O-N 2.89Å; V263-C266 VanDerWaalsContact O-N 3.15Å; V263-L267 HydrophobicContact CG1-CD1 4.24Å; V263-L267 PolarHBondContact O-N 3.41Å |
| 264 | T | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.5 | -39 | -176.6 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | L251 F260 Y261 C266 L267 E268 Y296 L300 | L251-T264 HydrophobicContact CD1-CG2 4.11Å; L251-T264 HydrophobicContact CD2-CG2 3.7Å; F260-T264 HydrophobicContact CE1-CG2 4.21Å; F260-T264 HydrophobicContact CE2-CG2 4.33Å; F260-T264 HydrophobicContact CZ-CG2 4.07Å; F260-T264 WeakPolarHBondContact O-CB 3.36Å; F260-T264 WeakPolarHBondContact O-CG2 3.5Å; F260-T264 PolarHBondContact O-N 3.45Å; F260-T264 PolarHBondContact O-OG1 3.2Å; Y261-T264 WeakPolarHBondContact CA-OG1 3.36Å; T264-C266 PolarHBondContact O-N 3.12Å; T264-L267 PolarHBondContact O-N 2.91Å; T264-L267 VanDerWaalsContact O-N 3.15Å; T264-E268 WeakPolarHBondContact O-CB 3.33Å; T264-E268 WeakPolarHBondContact O-CG 3.48Å; T264-E268 PolarHBondContact O-N 3.2Å; T264-Y296 HydrophobicContact CG2-CE2 4.3Å; T264-L300 HydrophobicContact CG2-CD2 3.87Å |
| 265 | D | 89 | Confident | 88.7 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -34.4 | 171.7 | -70.2 | -23.2 | 0 | 0 | 0 | 110.2 | Y261 E269 R368 R1337 V1340 | Y261-D265 WeakPolarHBondContact O-CB 3.15Å; Y261-D265 PolarHBondContact O-N 3.35Å; D265-E269 WeakPolarHBondContact O-CB 3.35Å; D265-E269 WeakPolarHBondContact O-CG 3.36Å; D265-E269 PolarHBondContact O-N 2.78Å; D265-R368 IonicContact OD1-NH1 2.78Å; D265-R368 PolarHBondContact OD1-NH1 3.49Å; D265-R368 IonicContact OD2-NH1 3.22Å; D265-R368 PolarHBondContact OD2-NH1 2.81Å; D265-R368 VanDerWaalsContact OD2-NH1 3.14Å; D265-R1337 IonicContact OD2-CZ 3.81Å; D265-R1337 IonicContact OD2-NE 2.7Å; D265-R1337 IonicContact OD2-NH2 2.76Å; D265-R1337 PolarHBondContact OD2-NH2 3.22Å; D265-V1340 HydrophobicContact CB-CG2 4.28Å; D265-V1340 WeakPolarHBondContact OD1-CG2 3.1Å; D265-V1340 PolarHBondContact OD1-N 3.01Å |
| 266 | C | 89.5 | Confident | 89 | Confident | 25 Ų | 25 | 28.9 Ų | 28.9 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.8 | -36.5 | 175.8 | -168.6 | 0 | 0 | 0 | 0 | 113.8 | D262 V263 T264 M270 | D262-C266 WeakPolarHBondContact O-CB 3.38Å; V263-C266 WeakPolarHBondContact O-CB 3.26Å; V263-C266 PolarHBondContact O-N 2.89Å; V263-C266 VanDerWaalsContact O-N 3.15Å; T264-C266 PolarHBondContact O-N 3.12Å; C266-M270 WeakPolarHBondContact O-CE 3.49Å; C266-M270 PolarHBondContact O-N 3.28Å |
| 267 | L | 92.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.5 | -42.9 | 173.2 | -66.2 | 169.5 | 0 | 0 | 0 | 110.8 | W223 I227 L247 L251 V263 T264 M270 G271 M272 Y296 | W223-L267 HydrophobicContact CB-CD2 3.64Å; W223-L267 HydrophobicContact CG-CD2 4.03Å; I227-L267 HydrophobicContact CD1-CD2 3.91Å; I227-L267 HydrophobicContact CG1-CD2 4.18Å; L247-L267 HydrophobicContact CD2-CD1 4.43Å; L247-L267 HydrophobicContact CD2-CD2 4.23Å; L251-L267 HydrophobicContact CD1-CD1 4.31Å; V263-L267 HydrophobicContact CG1-CD1 4.24Å; V263-L267 PolarHBondContact O-N 3.41Å; T264-L267 PolarHBondContact O-N 2.91Å; T264-L267 VanDerWaalsContact O-N 3.15Å; L267-M270 HydrophobicContact CD2-CE 4.5Å; L267-M270 CarbonylContact O-C 3.56Å; L267-M270 PolarHBondContact O-N 2.92Å; L267-M270 VanDerWaalsContact O-N 3.13Å; L267-G271 PolarHBondContact O-N 2.99Å; L267-M272 HydrophobicContact CB-CB 4.1Å; L267-M272 HydrophobicContact CB-CG 4.36Å; L267-M272 VanDerWaalsContact O-CB 3.3Å; L267-M272 WeakPolarHBondContact O-CB 3.46Å; L267-M272 PolarHBondContact O-N 3.33Å; L267-M272 VanDerWaalsContact O-N 3.17Å; L267-Y296 HydrophobicContact CD1-CE2 4.05Å |
| 268 | E | 89.8 | Confident | 89.4 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.8 | -68.9 | -60.9 | 140.3 | 0 | 0 | 112.6 | T264 M270 G271 Q273 Y296 R1341 | T264-E268 WeakPolarHBondContact O-CB 3.33Å; T264-E268 WeakPolarHBondContact O-CG 3.48Å; T264-E268 PolarHBondContact O-N 3.2Å; E268-M270 PolarHBondContact O-N 3.46Å; E268-G271 PolarHBondContact O-N 3.32Å; E268-Q273 VanDerWaalsContact OE2-CB 3.31Å; E268-Q273 WeakPolarHBondContact OE2-CB 3.5Å; E268-Q273 PolarHBondContact OE2-N 3.3Å; E268-Y296 PolarHBondContact OE1-OH 3.41Å; E268-Y296 VanDerWaalsContact OE1-OH 3.12Å; E268-R1341 HydrophobicContact CG-CG 4.48Å; E268-R1341 IonicContact OE1-CZ 3.98Å; E268-R1341 VanDerWaalsContact OE1-CZ 3.26Å; E268-R1341 IonicContact OE1-NE 3.49Å; E268-R1341 PolarHBondContact OE1-NE 3.15Å; E268-R1341 VanDerWaalsContact OE1-NE 3.08Å; E268-R1341 IonicContact OE1-NH2 2.69Å; E268-R1341 PolarHBondContact OE1-NH2 2.97Å; E268-R1341 IonicContact OE2-CZ 3.48Å; E268-R1341 IonicContact OE2-NE 2.6Å; E268-R1341 PolarHBondContact OE2-NE 3.42Å; E268-R1341 IonicContact OE2-NH2 2.73Å |
| 269 | E | 86.9 | Confident | 89.5 | Confident | 125 Ų | 125 | 34.7 Ų | 34.7 | 58% | 0.584 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61 | -25 | 171 | -82.4 | -170.5 | -140.6 | 0 | 0 | 113.3 | R221 D265 G271 | R221-E269 IonicContact CZ-OE2 3.59Å; R221-E269 IonicContact NH1-OE2 2.67Å; R221-E269 PolarHBondContact NH1-OE2 2.75Å; R221-E269 IonicContact NH2-OE2 2.69Å; R221-E269 PolarHBondContact NH2-OE2 2.88Å; D265-E269 WeakPolarHBondContact O-CB 3.35Å; D265-E269 WeakPolarHBondContact O-CG 3.36Å; D265-E269 PolarHBondContact O-N 2.78Å; E269-G271 VanDerWaalsContact C-N 3.34Å |
| 270 | M | 88.8 | Confident | 89.6 | Confident | 42 Ų | 42 | 36.9 Ų | 36.9 | 21% | 0.207 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | 172.9 | -64.1 | -171.4 | -71.1 | 0 | 0 | 113.5 | R221 P222 W223 I227 C266 L267 E268 | R221-M270 HydrophobicContact CB-SD 3.96Å; P222-M270 WeakPolarHBondContact O-CE 3.4Å; W223-M270 HydrophobicContact CB-CE 3.81Å; I227-M270 HydrophobicContact CG1-CB 4.25Å; I227-M270 HydrophobicContact CG1-CE 3.74Å; I227-M270 HydrophobicContact CG1-SD 4.42Å; I227-M270 HydrophobicContact CG2-CB 4.25Å; C266-M270 WeakPolarHBondContact O-CE 3.49Å; C266-M270 PolarHBondContact O-N 3.28Å; L267-M270 HydrophobicContact CD2-CE 4.5Å; L267-M270 CarbonylContact O-C 3.56Å; L267-M270 PolarHBondContact O-N 2.92Å; L267-M270 VanDerWaalsContact O-N 3.13Å; E268-M270 PolarHBondContact O-N 3.46Å |
| 271 | G | 88.9 | Confident | 89.4 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 20 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L267 E268 E269 Q273 K274 I275 | L267-G271 PolarHBondContact O-N 2.99Å; E268-G271 PolarHBondContact O-N 3.32Å; E269-G271 VanDerWaalsContact C-N 3.34Å; G271-Q273 VanDerWaalsContact C-N 3.28Å; G271-Q273 PolarHBondContact O-N 3.27Å; G271-K274 WeakPolarHBondContact O-CA 3.4Å; G271-K274 WeakPolarHBondContact O-CB 3.42Å; G271-K274 PolarHBondContact O-N 3.48Å; G271-I275 PolarHBondContact O-N 2.9Å |
| 272 | M | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49.1 | -43.3 | -179.2 | -171 | 63 | 147 | 0 | 0 | 113.4 | I227 L230 M244 L247 L267 K274 I275 V276 Y296 | I227-M272 HydrophobicContact CD1-CB 4.43Å; I227-M272 HydrophobicContact CD1-SD 3.73Å; L230-M272 HydrophobicContact CD1-CE 4.07Å; L230-M272 HydrophobicContact CD1-SD 4.43Å; M244-M272 HydrophobicContact CE-CE 3.89Å; M244-M272 HydrophobicContact SD-CE 3.87Å; L247-M272 HydrophobicContact CD1-CE 3.83Å; L267-M272 HydrophobicContact CB-CB 4.1Å; L267-M272 HydrophobicContact CB-CG 4.36Å; L267-M272 VanDerWaalsContact O-CB 3.3Å; L267-M272 WeakPolarHBondContact O-CB 3.46Å; L267-M272 PolarHBondContact O-N 3.33Å; L267-M272 VanDerWaalsContact O-N 3.17Å; M272-K274 PolarHBondContact O-N 3.14Å; M272-K274 VanDerWaalsContact O-N 3.14Å; M272-I275 PolarHBondContact O-N 2.99Å; M272-V276 HydrophobicContact CG-CG2 4.22Å; M272-V276 WeakPolarHBondContact O-CG2 3.44Å; M272-V276 PolarHBondContact O-N 3.48Å; M272-V276 HydrophobicContact SD-CG2 4.38Å; M272-Y296 HydrophobicContact CE-CE1 4.48Å; M272-Y296 HydrophobicContact CE-CE2 4.3Å; M272-Y296 HydrophobicContact CG-CE1 3.68Å |
| 273 | Q | 88.2 | Confident | 88.4 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 29% | 0.29 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -49.4 | -40.2 | 172.3 | 178 | 65.7 | 101.7 | 0 | 0 | 114.2 | E268 G271 Q277 R1341 | E268-Q273 VanDerWaalsContact OE2-CB 3.31Å; E268-Q273 WeakPolarHBondContact OE2-CB 3.5Å; E268-Q273 PolarHBondContact OE2-N 3.3Å; G271-Q273 VanDerWaalsContact C-N 3.28Å; G271-Q273 PolarHBondContact O-N 3.27Å; Q273-Q277 VanDerWaalsContact O-CB 3.24Å; Q273-Q277 WeakPolarHBondContact O-CB 3.16Å; Q273-Q277 PolarHBondContact O-N 2.9Å; Q273-R1341 VanDerWaalsContact CD-CZ 3.41Å |
| 274 | K | 89.6 | Confident | 87.6 | Confident | 162 Ų | 162 | 60 Ų | 60 | 70% | 0.704 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -72.2 | -37.7 | -179.8 | -61.7 | 179.2 | -179.8 | 175.5 | 0 | 111.5 | G271 M272 C278 | G271-K274 WeakPolarHBondContact O-CA 3.4Å; G271-K274 WeakPolarHBondContact O-CB 3.42Å; G271-K274 PolarHBondContact O-N 3.48Å; M272-K274 PolarHBondContact O-N 3.14Å; M272-K274 VanDerWaalsContact O-N 3.14Å; K274-C278 WeakPolarHBondContact O-CB 3.44Å; K274-C278 PolarHBondContact O-N 3.33Å |
| 275 | I | 91.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -49.1 | 178 | -63.2 | 168.4 | 0 | 0 | 0 | 109.7 | I227 L230 N231 G271 M272 Q277 C278 H279 | I227-I275 HydrophobicContact CD1-CD1 4.3Å; I227-I275 HydrophobicContact CG2-CD1 3.83Å; L230-I275 HydrophobicContact CB-CG2 4.01Å; N231-I275 HydrophobicContact CB-CD1 3.85Å; N231-I275 HydrophobicContact CB-CG1 4.19Å; G271-I275 PolarHBondContact O-N 2.9Å; M272-I275 PolarHBondContact O-N 2.99Å; I275-Q277 PolarHBondContact O-N 2.96Å; I275-C278 PolarHBondContact O-N 3.23Å; I275-H279 PolarHBondContact O-CD2 3.03Å; I275-H279 PolarHBondContact O-N 3.25Å |
| 276 | V | 89.9 | Confident | 87 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | M272 C278 H279 L280 L293 Y296 E297 | M272-V276 HydrophobicContact CG-CG2 4.22Å; M272-V276 WeakPolarHBondContact O-CG2 3.44Å; M272-V276 PolarHBondContact O-N 3.48Å; M272-V276 HydrophobicContact SD-CG2 4.38Å; V276-C278 PolarHBondContact O-N 3.02Å; V276-H279 PolarHBondContact O-N 3.31Å; V276-L280 HydrophobicContact CG1-CD1 3.68Å; V276-L280 HydrophobicContact CG1-CG 4.29Å; V276-L280 WeakPolarHBondContact O-CB 3.18Å; V276-L280 WeakPolarHBondContact O-CG 3.43Å; V276-L280 PolarHBondContact O-N 3.29Å; V276-L293 HydrophobicContact CB-CD2 4.38Å; V276-L293 HydrophobicContact CG1-CB 4.36Å; V276-L293 HydrophobicContact CG1-CD2 4.36Å; V276-L293 HydrophobicContact CG2-CD2 3.93Å; V276-Y296 HydrophobicContact CG2-CD1 4.2Å; V276-Y296 HydrophobicContact CG2-CE1 4.49Å; V276-E297 HydrophobicContact CG1-CG 3.89Å; V276-E297 WeakPolarHBondContact CG1-OE1 3.38Å |
| 277 | Q | 88.5 | Confident | 86.8 | Confident | 120 Ų | 120 | 67.2 Ų | 67.2 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 178 | -172.3 | 178.1 | 16.5 | 0 | 0 | 112.6 | Q273 I275 T281 | Q273-Q277 VanDerWaalsContact O-CB 3.24Å; Q273-Q277 WeakPolarHBondContact O-CB 3.16Å; Q273-Q277 PolarHBondContact O-N 2.9Å; I275-Q277 PolarHBondContact O-N 2.96Å; Q277-T281 HydrophobicContact CG-CG2 4.36Å; Q277-T281 WeakPolarHBondContact O-CB 3.23Å; Q277-T281 VanDerWaalsContact O-CG2 3.28Å; Q277-T281 WeakPolarHBondContact O-CG2 3.26Å; Q277-T281 PolarHBondContact O-N 2.96Å; Q277-T281 VanDerWaalsContact O-N 3.13Å; Q277-T281 PolarHBondContact O-OG1 3.12Å |
| 278 | C | 89.4 | Confident | 86.3 | Confident | 51 Ų | 51 | 70 Ų | 70 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | K274 I275 V276 T281 K282 | K274-C278 WeakPolarHBondContact O-CB 3.44Å; K274-C278 PolarHBondContact O-N 3.33Å; I275-C278 PolarHBondContact O-N 3.23Å; V276-C278 PolarHBondContact O-N 3.02Å; C278-T281 PolarHBondContact O-OG1 2.98Å; C278-K282 WeakPolarHBondContact O-CG 3.36Å |
| 279 | H | 88.2 | Confident | 86.3 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 5% | 0.051 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.2 | -46.5 | 179.2 | -69.3 | -53.7 | 0 | 0 | 0 | 112.4 | L230 I275 V276 T281 K282 C285 L293 | L230-H279 PolarHBondContact O-NE2 3.3Å; I275-H279 PolarHBondContact O-CD2 3.03Å; I275-H279 PolarHBondContact O-N 3.25Å; V276-H279 PolarHBondContact O-N 3.31Å; H279-T281 PolarHBondContact O-N 2.76Å; H279-T281 VanDerWaalsContact O-N 3.16Å; H279-K282 PolarHBondContact CE1-NZ 2.86Å; H279-K282 PolarHBondContact ND1-NZ 3.08Å; H279-K282 WeakPolarHBondContact O-CB 3.26Å; H279-K282 PolarHBondContact O-N 3.03Å; H279-K282 VanDerWaalsContact O-N 3.08Å; H279-C285 WeakPolarHBondContact O-CB 3.11Å; H279-C285 PolarHBondContact O-SG 3.01Å; H279-L293 HydrophobicContact CB-CD1 3.53Å |
| 280 | L | 87.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.8 | -14.7 | 179.4 | -68.4 | 179.6 | 0 | 0 | 0 | 114.5 | V276 A290 L293 | V276-L280 HydrophobicContact CG1-CD1 3.68Å; V276-L280 HydrophobicContact CG1-CG 4.29Å; V276-L280 WeakPolarHBondContact O-CB 3.18Å; V276-L280 WeakPolarHBondContact O-CG 3.43Å; V276-L280 PolarHBondContact O-N 3.29Å; L280-A290 HydrophobicContact CD2-CB 4.07Å; L280-L293 HydrophobicContact CD1-CB 4.36Å; L280-L293 HydrophobicContact CD2-CB 3.98Å; L280-L293 HydrophobicContact CD2-CD1 4.16Å; L280-L293 HydrophobicContact CG-CB 4.16Å; L280-L293 HydrophobicContact CG-CD1 4.22Å |
| 281 | T | 86.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.1 | 173.8 | 54 | 0 | 0 | 0 | 0 | 114.1 | Q277 C278 H279 K283 | Q277-T281 HydrophobicContact CG-CG2 4.36Å; Q277-T281 WeakPolarHBondContact O-CB 3.23Å; Q277-T281 VanDerWaalsContact O-CG2 3.28Å; Q277-T281 WeakPolarHBondContact O-CG2 3.26Å; Q277-T281 PolarHBondContact O-N 2.96Å; Q277-T281 VanDerWaalsContact O-N 3.13Å; Q277-T281 PolarHBondContact O-OG1 3.12Å; C278-T281 PolarHBondContact O-OG1 2.98Å; H279-T281 PolarHBondContact O-N 2.76Å; H279-T281 VanDerWaalsContact O-N 3.16Å; T281-K283 PolarHBondContact O-N 3.23Å |
| 282 | K | 84.5 | Confident | 86.3 | Confident | 72 Ų | 72 | 64 Ų | 64 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -71.9 | 126.3 | 172.4 | -72.7 | 165.4 | -169.1 | 174 | 0 | 109.5 | E233 C278 H279 N284 C285 | E233-K282 WeakPolarHBondContact OE1-CE 3.43Å; E233-K282 IonicContact OE1-NZ 2.65Å; E233-K282 PolarHBondContact OE1-NZ 3.48Å; C278-K282 WeakPolarHBondContact O-CG 3.36Å; H279-K282 PolarHBondContact CE1-NZ 2.86Å; H279-K282 PolarHBondContact ND1-NZ 3.08Å; H279-K282 WeakPolarHBondContact O-CB 3.26Å; H279-K282 PolarHBondContact O-N 3.03Å; H279-K282 VanDerWaalsContact O-N 3.08Å; K282-N284 PolarHBondContact O-N 3.43Å; K282-C285 PolarHBondContact O-N 3.33Å |
| 283 | K | 72.8 | Confident | 86.3 | Confident | 209 Ų | 209 | 64 Ų | 64 | 91% | 0.909 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -25.9 | -179.7 | -68.7 | -174.8 | 176.7 | -177.9 | 0 | 114.3 | T281 | T281-K283 PolarHBondContact O-N 3.23Š|
| 284 | N | 74.9 | Confident | 86.3 | Confident | 155 Ų | 155 | 63.9 Ų | 63.9 | 83% | 0.829 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 39.1 | -179 | -58 | 25.1 | 0 | 0 | 0 | 110.1 | K282 D286 | K282-N284 PolarHBondContact O-N 3.43Å; N284-D286 PolarHBondContact O-N 3.11Å |
| 285 | C | 80.7 | Confident | 86.3 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | trans | -63.5 | 131.3 | 168.3 | -168 | 0 | 0 | 0 | 0 | 108.9 | H279 K282 | H279-C285 WeakPolarHBondContact O-CB 3.11Å; H279-C285 PolarHBondContact O-SG 3.01Å; K282-C285 PolarHBondContact O-N 3.33Å | ||
| 286 | D | 86 | Confident | 86.3 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | trans | -64.5 | 139.9 | 176.4 | 177.3 | -86.9 | 0 | 0 | 0 | 111 | L237 N284 E288 L289 A290 | L237-D286 HydrophobicContact CD1-CB 3.71Å; L237-D286 HydrophobicContact CD2-CB 3.9Å; L237-D286 HydrophobicContact CG-CB 4.45Å; N284-D286 PolarHBondContact O-N 3.11Å; D286-E288 PolarHBondContact O-N 3.31Å; D286-E288 WeakPolarHBondContact OD1-CA 3.46Å; D286-E288 WeakPolarHBondContact OD1-CB 3.19Å; D286-E288 PolarHBondContact OD1-N 2.83Å; D286-L289 HydrophobicContact CB-CB 4.24Å; D286-L289 PolarHBondContact O-N 3.46Å; D286-L289 PolarHBondContact OD1-N 2.6Å; D286-A290 WeakPolarHBondContact O-CB 3.23Å; D286-A290 PolarHBondContact O-N 3.07Å | ||
| 287 | P | 85.2 | Confident | 86.3 | Confident | 103 Ų | 103 | 57.1 Ų | 57.1 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.7 | -34.5 | -177.1 | 25.2 | -36 | 0 | 0 | 0 | 114.5 | A290 E291 | P287-A290 PolarHBondContact O-N 3.16Å; P287-E291 WeakPolarHBondContact O-CB 3.39Å; P287-E291 PolarHBondContact O-N 3.28Å |
| 288 | E | 83.6 | Confident | 86.3 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 27% | 0.271 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.1 | -44.8 | -179.9 | -171.8 | 178.8 | 161.5 | 0 | 0 | 110.2 | I241 D286 A290 E291 Q292 T1311 | I241-E288 HydrophobicContact CD1-CB 4.09Å; I241-E288 HydrophobicContact CD1-CG 4.16Å; I241-E288 HydrophobicContact CG2-CG 4.29Å; I241-E288 WeakPolarHBondContact CG2-OE1 3.32Å; D286-E288 PolarHBondContact O-N 3.31Å; D286-E288 WeakPolarHBondContact OD1-CA 3.46Å; D286-E288 WeakPolarHBondContact OD1-CB 3.19Å; D286-E288 PolarHBondContact OD1-N 2.83Å; E288-A290 VanDerWaalsContact C-N 3.31Å; E288-A290 PolarHBondContact O-N 3.49Å; E288-E291 PolarHBondContact O-N 3.11Å; E288-Q292 WeakPolarHBondContact O-CG 3.38Å; E288-Q292 PolarHBondContact O-N 3.41Å; E288-T1311 HydrophobicContact CG-CG2 4.34Å |
| 289 | L | 88.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 172 | -177.1 | 60.2 | 0 | 0 | 0 | 111.4 | L237 L240 I241 D286 Q292 L293 | L237-L289 HydrophobicContact CD1-CB 4.06Å; L237-L289 HydrophobicContact CD1-CD2 4.01Å; L240-L289 HydrophobicContact CB-CD1 4Å; L240-L289 HydrophobicContact CB-CD2 4.1Å; L240-L289 HydrophobicContact CD1-CD2 4.01Å; I241-L289 HydrophobicContact CG1-CB 4.02Å; I241-L289 HydrophobicContact CG1-CD1 4.35Å; D286-L289 HydrophobicContact CB-CB 4.24Å; D286-L289 PolarHBondContact O-N 3.46Å; D286-L289 PolarHBondContact OD1-N 2.6Å; L289-Q292 PolarHBondContact O-N 3.24Å; L289-L293 HydrophobicContact CD1-CD1 4.36Å; L289-L293 HydrophobicContact CD1-CG 4.4Å; L289-L293 HydrophobicContact CG-CD1 4.02Å; L289-L293 WeakPolarHBondContact O-CB 3.06Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 2.9Å |
| 290 | A | 88.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L280 D286 P287 E288 L293 N294 | L280-A290 HydrophobicContact CD2-CB 4.07Å; D286-A290 WeakPolarHBondContact O-CB 3.23Å; D286-A290 PolarHBondContact O-N 3.07Å; P287-A290 PolarHBondContact O-N 3.16Å; E288-A290 VanDerWaalsContact C-N 3.31Å; E288-A290 PolarHBondContact O-N 3.49Å; A290-L293 PolarHBondContact O-N 3.1Å; A290-N294 WeakPolarHBondContact O-CB 3.36Å; A290-N294 PolarHBondContact O-N 2.96Å; A290-N294 PolarHBondContact O-ND2 3.2Å |
| 291 | E | 86.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 50 Ų | 50 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175 | -178 | 155.6 | -134 | 0 | 0 | 111.2 | P287 E288 L293 N294 L295 P314 | P287-E291 WeakPolarHBondContact O-CB 3.39Å; P287-E291 PolarHBondContact O-N 3.28Å; E288-E291 PolarHBondContact O-N 3.11Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 2.69Å; E291-N294 PolarHBondContact O-N 3.32Å; E291-N294 VanDerWaalsContact O-N 3.16Å; E291-L295 WeakPolarHBondContact O-CB 3.03Å; E291-L295 PolarHBondContact O-N 2.9Å; E291-P314 WeakPolarHBondContact OE1-CG 3.23Å |
| 292 | Q | 88.8 | Confident | 86 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61 | -37.5 | 176.3 | -65.1 | -60.8 | -27.2 | 0 | 0 | 112.5 | M244 T245 N248 E288 L289 Y296 | M244-Q292 HydrophobicContact CB-CB 4.05Å; M244-Q292 HydrophobicContact CG-CB 3.64Å; T245-Q292 VanDerWaalsContact OG1-CD 3.28Å; N248-Q292 PolarHBondContact ND2-O 2.85Å; N248-Q292 PolarHBondContact ND2-OE1 2.78Å; E288-Q292 WeakPolarHBondContact O-CG 3.38Å; E288-Q292 PolarHBondContact O-N 3.41Å; L289-Q292 PolarHBondContact O-N 3.24Å; Q292-Y296 PolarHBondContact O-N 2.69Å |
| 293 | L | 91.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 174.8 | -71.9 | 169.9 | 0 | 0 | 0 | 112.5 | M244 V276 H279 L280 L289 A290 E291 E297 | M244-L293 HydrophobicContact CE-CD2 4.2Å; M244-L293 HydrophobicContact CG-CD2 4.36Å; M244-L293 HydrophobicContact SD-CD2 3.88Å; V276-L293 HydrophobicContact CB-CD2 4.38Å; V276-L293 HydrophobicContact CG1-CB 4.36Å; V276-L293 HydrophobicContact CG1-CD2 4.36Å; V276-L293 HydrophobicContact CG2-CD2 3.93Å; H279-L293 HydrophobicContact CB-CD1 3.53Å; L280-L293 HydrophobicContact CD1-CB 4.36Å; L280-L293 HydrophobicContact CD2-CB 3.98Å; L280-L293 HydrophobicContact CD2-CD1 4.16Å; L280-L293 HydrophobicContact CG-CB 4.16Å; L280-L293 HydrophobicContact CG-CD1 4.22Å; L289-L293 HydrophobicContact CD1-CD1 4.36Å; L289-L293 HydrophobicContact CD1-CG 4.4Å; L289-L293 HydrophobicContact CG-CD1 4.02Å; L289-L293 WeakPolarHBondContact O-CB 3.06Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 2.9Å; A290-L293 PolarHBondContact O-N 3.1Å; E291-L293 VanDerWaalsContact C-N 3.3Å; E291-L293 PolarHBondContact O-N 2.69Å; L293-E297 PolarHBondContact O-N 3.39Å |
| 294 | N | 90.2 | Very high | 86.6 | Confident | 59 Ų | 59 | 33.3 Ų | 33.3 | 32% | 0.316 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.4 | -32.4 | 176.5 | -77.5 | -65.6 | 0 | 0 | 0 | 112.7 | A290 E291 Y296 E297 A298 L313 | A290-N294 WeakPolarHBondContact O-CB 3.36Å; A290-N294 PolarHBondContact O-N 2.96Å; A290-N294 PolarHBondContact O-ND2 3.2Å; E291-N294 PolarHBondContact O-N 3.32Å; E291-N294 VanDerWaalsContact O-N 3.16Å; N294-Y296 VanDerWaalsContact C-N 3.32Å; N294-Y296 PolarHBondContact O-N 2.94Å; N294-E297 PolarHBondContact O-N 3.19Å; N294-A298 WeakPolarHBondContact O-CB 3.5Å; N294-A298 PolarHBondContact O-N 3.17Å; N294-L313 HydrophobicContact CB-CD2 4.15Å |
| 295 | L | 88.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 175.1 | -178.8 | 59 | 0 | 0 | 0 | 111.8 | N248 E291 S299 L313 G317 L321 | N248-L295 HydrophobicContact CB-CD2 4.21Å; E291-L295 WeakPolarHBondContact O-CB 3.03Å; E291-L295 PolarHBondContact O-N 2.9Å; L295-S299 WeakPolarHBondContact O-CB 3.29Å; L295-S299 PolarHBondContact O-N 2.82Å; L295-S299 PolarHBondContact O-OG 3.44Å; L295-L313 HydrophobicContact CD1-CD1 4.22Å; L295-G317 WeakPolarHBondContact CD1-O 3.24Å; L295-L321 HydrophobicContact CD1-CB 4.45Å |
| 296 | Y | 91.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 172.8 | 178.2 | -98.3 | 0 | 0 | 0 | 112.5 | M244 L251 T264 L267 E268 M272 V276 Q292 N294 A298 S299 L300 | M244-Y296 HydrophobicContact CE-CD1 4.46Å; M244-Y296 HydrophobicContact CE-CD2 4.07Å; M244-Y296 HydrophobicContact CE-CG 3.73Å; L251-Y296 HydrophobicContact CD1-CD2 3.73Å; L251-Y296 HydrophobicContact CD1-CE2 3.63Å; T264-Y296 HydrophobicContact CG2-CE2 4.3Å; L267-Y296 HydrophobicContact CD1-CE2 4.05Å; E268-Y296 PolarHBondContact OE1-OH 3.41Å; E268-Y296 VanDerWaalsContact OE1-OH 3.12Å; M272-Y296 HydrophobicContact CE-CE1 4.48Å; M272-Y296 HydrophobicContact CE-CE2 4.3Å; M272-Y296 HydrophobicContact CG-CE1 3.68Å; V276-Y296 HydrophobicContact CG2-CD1 4.2Å; V276-Y296 HydrophobicContact CG2-CE1 4.49Å; Q292-Y296 PolarHBondContact O-N 2.69Å; N294-Y296 VanDerWaalsContact C-N 3.32Å; N294-Y296 PolarHBondContact O-N 2.94Å; Y296-A298 VanDerWaalsContact C-N 3.33Å; Y296-A298 PolarHBondContact O-N 2.78Å; Y296-S299 WeakPolarHBondContact O-CB 3.43Å; Y296-S299 PolarHBondContact O-N 2.76Å; Y296-L300 HydrophobicContact CD1-CD1 4.14Å; Y296-L300 HydrophobicContact CE1-CD1 3.55Å; Y296-L300 HydrophobicContact CE1-CG 4.4Å; Y296-L300 PolarHBondContact O-N 3.36Å |
| 297 | E | 90 | Very high | 86.3 | Confident | 13 Ų | 13 | 32 Ų | 32 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.3 | -44.3 | 176.3 | -74.4 | -68.1 | 137.3 | 0 | 0 | 112.5 | V276 L293 N294 R301 R1341 | V276-E297 HydrophobicContact CG1-CG 3.89Å; V276-E297 WeakPolarHBondContact CG1-OE1 3.38Å; L293-E297 PolarHBondContact O-N 3.39Å; N294-E297 PolarHBondContact O-N 3.19Å; E297-R301 WeakPolarHBondContact O-CG 3.31Å; E297-R301 PolarHBondContact O-N 3.23Å; E297-R301 VanDerWaalsContact O-N 3.13Å; E297-R301 IonicContact OE2-CZ 2.83Å; E297-R301 IonicContact OE2-NE 3.83Å; E297-R301 IonicContact OE2-NH2 2.69Å; E297-R301 PolarHBondContact OE2-NH2 3.29Å; E297-R1341 IonicContact OE1-CZ 2.7Å; E297-R1341 VanDerWaalsContact OE1-CZ 3.31Å; E297-R1341 IonicContact OE1-NH1 2.85Å; E297-R1341 PolarHBondContact OE1-NH1 3.03Å; E297-R1341 IonicContact OE1-NH2 3.17Å; E297-R1341 PolarHBondContact OE1-NH2 3.48Å; E297-R1341 IonicContact OE2-NH1 3.52Å; E297-R1341 PolarHBondContact OE2-NH1 3.38Å |
| 298 | A | 87.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.2 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | N294 Y296 L300 R301 Y302 L313 | N294-A298 WeakPolarHBondContact O-CB 3.5Å; N294-A298 PolarHBondContact O-N 3.17Å; Y296-A298 VanDerWaalsContact C-N 3.33Å; Y296-A298 PolarHBondContact O-N 2.78Å; A298-L300 PolarHBondContact O-N 2.78Å; A298-R301 PolarHBondContact O-N 2.89Å; A298-Y302 VanDerWaalsContact O-CB 3.28Å; A298-Y302 WeakPolarHBondContact O-CB 3.48Å; A298-Y302 PolarHBondContact O-N 3.36Å; A298-L313 HydrophobicContact CB-CD1 3.37Å; A298-L313 HydrophobicContact CB-CD2 4.01Å; A298-L313 HydrophobicContact CB-CG 3.58Å |
| 299 | S | 87.5 | Confident | 85.3 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | L295 Y296 E303 L321 | L295-S299 WeakPolarHBondContact O-CB 3.29Å; L295-S299 PolarHBondContact O-N 2.82Å; L295-S299 PolarHBondContact O-OG 3.44Å; Y296-S299 WeakPolarHBondContact O-CB 3.43Å; Y296-S299 PolarHBondContact O-N 2.76Å; S299-E303 PolarHBondContact O-N 2.99Å; S299-L321 WeakPolarHBondContact OG-CD1 3.43Å |
| 300 | L | 87.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -52 | 174.1 | -75 | 175.4 | 0 | 0 | 0 | 111.6 | F260 T264 Y296 A298 Y302 E303 D304 | F260-L300 HydrophobicContact CE1-CD2 4.25Å; F260-L300 HydrophobicContact CZ-CD2 4.32Å; T264-L300 HydrophobicContact CG2-CD2 3.87Å; Y296-L300 HydrophobicContact CD1-CD1 4.14Å; Y296-L300 HydrophobicContact CE1-CD1 3.55Å; Y296-L300 HydrophobicContact CE1-CG 4.4Å; Y296-L300 PolarHBondContact O-N 3.36Å; A298-L300 PolarHBondContact O-N 2.78Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-Y302 PolarHBondContact O-N 3.14Å; L300-E303 PolarHBondContact O-N 2.77Å; L300-D304 VanDerWaalsContact O-CB 3.25Å; L300-D304 WeakPolarHBondContact O-CB 3.41Å; L300-D304 PolarHBondContact O-N 3.41Å |
| 301 | R | 85.3 | Confident | 83.7 | Confident | 77 Ų | 77 | 39.3 Ų | 39.3 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.9 | -39.9 | -178.3 | -75.3 | 177 | -142 | 172.7 | 6.8 | 112.9 | E297 A298 D304 G305 E306 L311 | E297-R301 WeakPolarHBondContact O-CG 3.31Å; E297-R301 PolarHBondContact O-N 3.23Å; E297-R301 VanDerWaalsContact O-N 3.13Å; E297-R301 IonicContact OE2-CZ 2.83Å; E297-R301 IonicContact OE2-NE 3.83Å; E297-R301 IonicContact OE2-NH2 2.69Å; E297-R301 PolarHBondContact OE2-NH2 3.29Å; A298-R301 PolarHBondContact O-N 2.89Å; R301-D304 PolarHBondContact O-N 3.29Å; R301-G305 PolarHBondContact O-N 2.99Å; R301-E306 HydrophobicContact CB-CB 4.42Å; R301-E306 HydrophobicContact CB-CG 4.47Å; R301-E306 WeakPolarHBondContact CB-OE2 3.41Å; R301-E306 VanDerWaalsContact CD-OE2 3.31Å; R301-E306 WeakPolarHBondContact CD-OE2 3Å; R301-E306 WeakPolarHBondContact O-CB 3.36Å; R301-E306 PolarHBondContact O-N 2.93Å; R301-L311 HydrophobicContact CB-CD2 3.95Å |
| 302 | Y | 85.6 | Confident | 83.1 | Confident | 19 Ų | 19 | 41 Ų | 41 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -63.3 | 173.8 | -175.8 | -120.8 | 0 | 0 | 0 | 109.9 | A298 L300 D304 G305 F308 L311 L321 R322 Q323 G324 R325 | A298-Y302 VanDerWaalsContact O-CB 3.28Å; A298-Y302 WeakPolarHBondContact O-CB 3.48Å; A298-Y302 PolarHBondContact O-N 3.36Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-Y302 PolarHBondContact O-N 3.14Å; Y302-D304 PolarHBondContact O-N 2.94Å; Y302-G305 PolarHBondContact O-N 3Å; Y302-F308 HydrophobicContact CD2-CB 4.36Å; Y302-F308 HydrophobicContact CD2-CD2 4.15Å; Y302-F308 HydrophobicContact CE2-CB 3.91Å; Y302-F308 AromaticContact CE2-CD2 3.8Å; Y302-F308 HydrophobicContact CE2-CD2 3.8Å; Y302-F308 HydrophobicContact CE2-CG 4.36Å; Y302-L311 HydrophobicContact CD2-CD1 4.04Å; Y302-L311 HydrophobicContact CG-CD1 4.24Å; Y302-L321 HydrophobicContact CD1-CD2 4.39Å; Y302-L321 HydrophobicContact CG-CD2 4.22Å; Y302-R322 WeakPolarHBondContact CE1-O 2.95Å; Y302-Q323 PolarHBondContact OH-O 3.17Å; Y302-G324 WeakPolarHBondContact OH-CA 3.25Å; Y302-R325 HydrophobicContact CE1-CG 3.95Å; Y302-R325 HydrophobicContact CE2-CG 4.37Å; Y302-R325 PolarHBondContact O-NH1 3.49Å; Y302-R325 PolarHBondContact O-NH2 3.27Å; Y302-R325 PolarHBondContact OH-N 2.96Å |
| 303 | E | 85.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.6 | -38.3 | 179.9 | -79.3 | -67.3 | 172.7 | 0 | 0 | 112.9 | Q257 F260 Y261 S299 L300 G305 R325 R326 | Q257-E303 PolarHBondContact NE2-OE2 3.23Å; F260-E303 HydrophobicContact CD1-CB 4.27Å; F260-E303 HydrophobicContact CD1-CG 3.99Å; F260-E303 HydrophobicContact CE1-CB 3.79Å; F260-E303 HydrophobicContact CE1-CG 3.73Å; F260-E303 HydrophobicContact CZ-CB 4.39Å; F260-E303 HydrophobicContact CZ-CG 4.05Å; Y261-E303 VanDerWaalsContact OH-C 3.26Å; Y261-E303 PolarHBondContact OH-O 2.89Å; S299-E303 PolarHBondContact O-N 2.99Å; L300-E303 PolarHBondContact O-N 2.77Å; E303-G305 VanDerWaalsContact C-N 3.25Å; E303-G305 PolarHBondContact O-N 3.06Å; E303-R325 PolarHBondContact O-NH1 2.79Å; E303-R326 WeakPolarHBondContact OE1-CB 3.3Å; E303-R326 WeakPolarHBondContact OE1-CD 3.29Å; E303-R326 VanDerWaalsContact OE1-CG 3.22Å; E303-R326 WeakPolarHBondContact OE1-CG 3.3Å; E303-R326 IonicContact OE1-CZ 3.58Å; E303-R326 PolarHBondContact OE1-N 3.19Å; E303-R326 IonicContact OE1-NE 3.3Å; E303-R326 IonicContact OE1-NH1 3.5Å; E303-R326 PolarHBondContact OE1-NH1 3.32Å |
| 304 | D | 83.7 | Confident | 81 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -28 | 178.4 | -100 | -28.1 | 0 | 0 | 0 | 114.1 | Y261 L300 R301 Y302 F1338 S1339 R1342 | Y261-D304 WeakPolarHBondContact OH-CA 3.43Å; Y261-D304 PolarHBondContact OH-N 3.17Å; Y261-D304 PolarHBondContact OH-OD1 2.86Å; L300-D304 VanDerWaalsContact O-CB 3.25Å; L300-D304 WeakPolarHBondContact O-CB 3.41Å; L300-D304 PolarHBondContact O-N 3.41Å; R301-D304 PolarHBondContact O-N 3.29Å; Y302-D304 PolarHBondContact O-N 2.94Å; D304-F1338 VanDerWaalsContact O-CD1 3.23Å; D304-F1338 WeakPolarHBondContact O-CD1 3.4Å; D304-F1338 WeakPolarHBondContact O-CE1 3.33Å; D304-F1338 VanDerWaalsContact OD1-CA 3.28Å; D304-F1338 WeakPolarHBondContact OD1-CA 3.27Å; D304-F1338 WeakPolarHBondContact OD1-CB 3.28Å; D304-S1339 PolarHBondContact OD1-N 3.37Å; D304-S1339 PolarHBondContact OD1-OG 3.48Å; D304-S1339 WeakPolarHBondContact OD2-CB 3.44Å; D304-S1339 PolarHBondContact OD2-OG 3.25Å; D304-R1342 VanDerWaalsContact CB-CD 3.47Å; D304-R1342 PolarHBondContact O-NE 2.76Å; D304-R1342 PolarHBondContact O-NH1 2.7Å; D304-R1342 PolarHBondContact O-NH2 3.29Å; D304-R1342 WeakPolarHBondContact OD1-CD 2.95Å; D304-R1342 VanDerWaalsContact OD2-CB 3.27Å; D304-R1342 WeakPolarHBondContact OD2-CB 3.41Å |
| 305 | G | 78 | Confident | 79.5 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 124.5 | 24.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | R301 Y302 E303 R325 | R301-G305 PolarHBondContact O-N 2.99Å; Y302-G305 PolarHBondContact O-N 3Å; E303-G305 VanDerWaalsContact C-N 3.25Å; E303-G305 PolarHBondContact O-N 3.06Å; G305-R325 VanDerWaalsContact CA-NH2 3.34Å |
| 306 | E | 80.7 | Confident | 78.1 | Confident | 68 Ų | 68 | 45 Ų | 45 | 32% | 0.318 | 25% | 0.252 | S | S | . | . | trans | -86.5 | 146.6 | 165.2 | -68.7 | 169.3 | -149.3 | 0 | 0 | 109.9 | R301 L311 R325 | R301-E306 HydrophobicContact CB-CB 4.42Å; R301-E306 HydrophobicContact CB-CG 4.47Å; R301-E306 WeakPolarHBondContact CB-OE2 3.41Å; R301-E306 VanDerWaalsContact CD-OE2 3.31Å; R301-E306 WeakPolarHBondContact CD-OE2 3Å; R301-E306 WeakPolarHBondContact O-CB 3.36Å; R301-E306 PolarHBondContact O-N 2.93Å; E306-L311 HydrophobicContact CB-CD2 4.39Å; E306-R325 PolarHBondContact O-NH2 2.92Å | ||
| 307 | D | 77 | Confident | 76.7 | Confident | 108 Ų | 108 | 45 Ų | 45 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | trans | -76.2 | 141.4 | -176.8 | -77.1 | -34.8 | 0 | 0 | 0 | 110.5 | D309 E310 | D307-D309 PolarHBondContact O-N 3.03Å; D307-D309 VanDerWaalsContact O-N 3.08Å; D307-E310 HydrophobicContact CB-CG 4.37Å; D307-E310 PolarHBondContact O-N 3.33Å | ||
| 308 | F | 75.1 | Confident | 75.6 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 26% | 0.263 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -55 | -34 | -172.4 | -171.8 | -95.5 | 0 | 0 | 0 | 113.2 | Y302 L311 R318 L321 | Y302-F308 HydrophobicContact CD2-CB 4.36Å; Y302-F308 HydrophobicContact CD2-CD2 4.15Å; Y302-F308 HydrophobicContact CE2-CB 3.91Å; Y302-F308 AromaticContact CE2-CD2 3.8Å; Y302-F308 HydrophobicContact CE2-CD2 3.8Å; Y302-F308 HydrophobicContact CE2-CG 4.36Å; F308-L311 HydrophobicContact CD2-CD1 4.23Å; F308-R318 HydrophobicContact CE1-CB 4.36Å; F308-R318 HydrophobicContact CZ-CB 4.08Å; F308-L321 HydrophobicContact CD2-CD2 4.22Å; F308-L321 HydrophobicContact CE2-CB 4.46Å; F308-L321 HydrophobicContact CE2-CD2 3.91Å; F308-L321 HydrophobicContact CE2-CG 4.28Å |
| 309 | D | 73.1 | Confident | 74.4 | Confident | 135 Ų | 135 | 53.6 Ų | 53.6 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -71.3 | -25.6 | 178.3 | -75.1 | -40.5 | 0 | 0 | 0 | 113.9 | D307 R318 | D307-D309 PolarHBondContact O-N 3.03Å; D307-D309 VanDerWaalsContact O-N 3.08Å; D309-R318 PolarHBondContact O-NH2 3.28Å; D309-R318 IonicContact OD1-NH1 2.7Å |
| 310 | E | 72.1 | Confident | 73.3 | Confident | 145 Ų | 145 | 54.9 Ų | 54.9 | 68% | 0.678 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -84.2 | -10.8 | -179.1 | -60 | -169.8 | 146 | 0 | 0 | 113 | D307 | D307-E310 HydrophobicContact CB-CG 4.37Å; D307-E310 PolarHBondContact O-N 3.33Å |
| 311 | L | 72.1 | Confident | 72.6 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -67.1 | 130.5 | -177.9 | -61.7 | 173.2 | 0 | 0 | 0 | 111.8 | R301 Y302 E306 F308 L313 R318 L321 | R301-L311 HydrophobicContact CB-CD2 3.95Å; Y302-L311 HydrophobicContact CD2-CD1 4.04Å; Y302-L311 HydrophobicContact CG-CD1 4.24Å; E306-L311 HydrophobicContact CB-CD2 4.39Å; F308-L311 HydrophobicContact CD2-CD1 4.23Å; L311-L313 PolarHBondContact O-N 3.45Å; L311-R318 PolarHBondContact O-NH2 3.27Å; L311-L321 HydrophobicContact CD1-CD2 3.53Å |
| 312 | P | 73.1 | Confident | 72.1 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 56% | 0.558 | 30% | 0.297 | S | S | * | . | trans | -81.1 | 53.3 | -176.5 | 35.3 | -37.8 | 0 | 0 | 0 | 112.6 | ||||
| 313 | L | 69.2 | Low | 71.1 | Confident | 16 Ų | 16 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -110.7 | 145.2 | 173.3 | -71 | 174.6 | 0 | 0 | 0 | 111.5 | N294 L295 A298 L311 R318 L321 | N294-L313 HydrophobicContact CB-CD2 4.15Å; L295-L313 HydrophobicContact CD1-CD1 4.22Å; A298-L313 HydrophobicContact CB-CD1 3.37Å; A298-L313 HydrophobicContact CB-CD2 4.01Å; A298-L313 HydrophobicContact CB-CG 3.58Å; L311-L313 PolarHBondContact O-N 3.45Å; L313-R318 HydrophobicContact CB-CG 3.77Å; L313-R318 HydrophobicContact CD1-CG 4.47Å; L313-R318 PolarHBondContact O-NE 3.16Å; L313-L321 HydrophobicContact CD1-CD2 4.49Å | ||
| 314 | P | 66.6 | Low | 70.4 | Confident | 74 Ų | 74 | 63.6 Ų | 63.6 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | trans | -64.5 | 166.4 | 165.2 | 32 | -35.7 | 0 | 0 | 0 | 110.7 | E291 S316 G317 R318 | E291-P314 WeakPolarHBondContact OE1-CG 3.23Å; P314-S316 VanDerWaalsContact C-N 3.27Å; P314-S316 PolarHBondContact O-N 2.92Å; P314-G317 PolarHBondContact O-N 3.03Å; P314-R318 WeakPolarHBondContact O-CG 3.45Å; P314-R318 PolarHBondContact O-N 2.99Å | ||
| 315 | A | 60.1 | Low | 70.2 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.3 | -42.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R318 E319 | A315-R318 WeakPolarHBondContact O-CB 3.47Å; A315-R318 PolarHBondContact O-N 3.16Å; A315-R318 VanDerWaalsContact O-N 3.14Å; A315-E319 PolarHBondContact O-N 2.72Å; A315-E319 VanDerWaalsContact O-N 3.13Å |
| 316 | S | 58.3 | Low | 70.6 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.7 | -61.3 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | P314 R318 E319 S320 P1312 | P314-S316 VanDerWaalsContact C-N 3.27Å; P314-S316 PolarHBondContact O-N 2.92Å; S316-R318 PolarHBondContact O-N 3.05Å; S316-R318 VanDerWaalsContact O-N 3.11Å; S316-E319 WeakPolarHBondContact O-CB 3.36Å; S316-E319 PolarHBondContact O-N 2.8Å; S316-S320 PolarHBondContact O-N 2.89Å; S316-P1312 WeakPolarHBondContact CB-O 3.14Å; S316-P1312 VanDerWaalsContact OG-CD 3.27Å; S316-P1312 WeakPolarHBondContact OG-CD 3.29Å; S316-P1312 VanDerWaalsContact OG-CG 3.28Å; S316-P1312 WeakPolarHBondContact OG-CG 3.44Å; S316-P1312 PolarHBondContact OG-O 2.88Å |
| 317 | G | 62.4 | Low | 70.7 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.2 | -23.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | L295 P314 | L295-G317 WeakPolarHBondContact CD1-O 3.24Å; P314-G317 PolarHBondContact O-N 3.03Å |
| 318 | R | 67.1 | Low | 70.8 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 22% | 0.219 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -73.6 | -27.2 | 172.2 | -69.8 | -179.2 | 179.1 | -147.1 | -6.3 | 112.9 | F308 D309 L311 L313 P314 A315 S316 L321 | F308-R318 HydrophobicContact CE1-CB 4.36Å; F308-R318 HydrophobicContact CZ-CB 4.08Å; D309-R318 PolarHBondContact O-NH2 3.28Å; D309-R318 IonicContact OD1-NH1 2.7Å; L311-R318 PolarHBondContact O-NH2 3.27Å; L313-R318 HydrophobicContact CB-CG 3.77Å; L313-R318 HydrophobicContact CD1-CG 4.47Å; L313-R318 PolarHBondContact O-NE 3.16Å; P314-R318 WeakPolarHBondContact O-CG 3.45Å; P314-R318 PolarHBondContact O-N 2.99Å; A315-R318 WeakPolarHBondContact O-CB 3.47Å; A315-R318 PolarHBondContact O-N 3.16Å; A315-R318 VanDerWaalsContact O-N 3.14Å; S316-R318 PolarHBondContact O-N 3.05Å; S316-R318 VanDerWaalsContact O-N 3.11Å; R318-L321 PolarHBondContact O-N 3.43Å |
| 319 | E | 62.2 | Low | 70.9 | Confident | 137 Ų | 137 | 61.4 Ų | 61.4 | 64% | 0.64 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -73.4 | -32.9 | 173.2 | -68.3 | 169 | -168.6 | 0 | 0 | 111.3 | A315 S316 L321 | A315-E319 PolarHBondContact O-N 2.72Å; A315-E319 VanDerWaalsContact O-N 3.13Å; S316-E319 WeakPolarHBondContact O-CB 3.36Å; S316-E319 PolarHBondContact O-N 2.8Å; E319-L321 PolarHBondContact O-N 2.82Å |
| 320 | S | 65.3 | Low | 70.8 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -66.9 | -16.4 | 171.8 | -46.6 | 0 | 0 | 0 | 0 | 114 | N252 S316 | N252-S320 PolarHBondContact ND2-O 2.9Å; S316-S320 PolarHBondContact O-N 2.89Å |
| 321 | L | 72.5 | Confident | 71.2 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -94.7 | 130.8 | -176.8 | -176.6 | 64 | 0 | 0 | 0 | 111.8 | L295 S299 Y302 F308 L311 L313 R318 E319 Q323 | L295-L321 HydrophobicContact CD1-CB 4.45Å; S299-L321 WeakPolarHBondContact OG-CD1 3.43Å; Y302-L321 HydrophobicContact CD1-CD2 4.39Å; Y302-L321 HydrophobicContact CG-CD2 4.22Å; F308-L321 HydrophobicContact CD2-CD2 4.22Å; F308-L321 HydrophobicContact CE2-CB 4.46Å; F308-L321 HydrophobicContact CE2-CD2 3.91Å; F308-L321 HydrophobicContact CE2-CG 4.28Å; L311-L321 HydrophobicContact CD1-CD2 3.53Å; L313-L321 HydrophobicContact CD1-CD2 4.49Å; R318-L321 PolarHBondContact O-N 3.43Å; E319-L321 PolarHBondContact O-N 2.82Å; L321-Q323 PolarHBondContact O-N 3.17Å; L321-Q323 VanDerWaalsContact O-N 3.13Å |
| 322 | R | 74.5 | Confident | 71.5 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 28% | 0.283 | 31% | 0.31 | S | S | . | . | trans | -50.7 | 119.2 | 177.1 | -160.7 | 177.2 | -136.4 | -137.3 | 2.4 | 111.8 | E199 N252 P255 Y302 G324 | E199-R322 IonicContact OE2-NH2 3.11Å; N252-R322 WeakPolarHBondContact OD1-CB 3.49Å; N252-R322 PolarHBondContact OD1-N 2.65Å; N252-R322 VanDerWaalsContact OD1-N 3.07Å; P255-R322 PolarHBondContact O-NH1 2.86Å; Y302-R322 WeakPolarHBondContact CE1-O 2.95Å; R322-G324 PolarHBondContact O-N 3.49Å | ||
| 323 | Q | 65.7 | Low | 71.5 | Confident | 172 Ų | 172 | 55.5 Ų | 55.5 | 80% | 0.804 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -65.4 | -8.6 | -174.1 | -61.3 | -178.1 | 4.9 | 0 | 0 | 114.8 | Y302 L321 | Y302-Q323 PolarHBondContact OH-O 3.17Å; L321-Q323 PolarHBondContact O-N 3.17Å; L321-Q323 VanDerWaalsContact O-N 3.13Å |
| 324 | G | 69.6 | Low | 71.8 | Confident | 37 Ų | 37 | 61.3 Ų | 61.3 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -137.9 | 139.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y302 R322 | Y302-G324 WeakPolarHBondContact OH-CA 3.25Å; R322-G324 PolarHBondContact O-N 3.49Å |
| 325 | R | 80.6 | Confident | 72.3 | Confident | 98 Ų | 98 | 59 Ų | 59 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 141.5 | 172.5 | -63.9 | 168.6 | 172.1 | -70.7 | -18.4 | 111 | Y302 E303 G305 E306 | Y302-R325 HydrophobicContact CE1-CG 3.95Å; Y302-R325 HydrophobicContact CE2-CG 4.37Å; Y302-R325 PolarHBondContact O-NH1 3.49Å; Y302-R325 PolarHBondContact O-NH2 3.27Å; Y302-R325 PolarHBondContact OH-N 2.96Å; E303-R325 PolarHBondContact O-NH1 2.79Å; G305-R325 VanDerWaalsContact CA-NH2 3.34Å; E306-R325 PolarHBondContact O-NH2 2.92Å |
| 326 | R | 84.6 | Confident | 72.8 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 4% | 0.038 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -68 | 145.7 | 173.5 | -65 | 162.4 | -172.5 | 81.6 | 2.6 | 110.2 | L251 N252 I254 Q257 E303 | L251-R326 PolarHBondContact O-NH2 2.81Å; N252-R326 PolarHBondContact O-NH2 3.07Å; I254-R326 WeakPolarHBondContact O-CD 3.45Å; I254-R326 PolarHBondContact O-NE 3.23Å; Q257-R326 HydrophobicContact CB-CB 3.8Å; E303-R326 WeakPolarHBondContact OE1-CB 3.3Å; E303-R326 WeakPolarHBondContact OE1-CD 3.29Å; E303-R326 VanDerWaalsContact OE1-CG 3.22Å; E303-R326 WeakPolarHBondContact OE1-CG 3.3Å; E303-R326 IonicContact OE1-CZ 3.58Å; E303-R326 PolarHBondContact OE1-N 3.19Å; E303-R326 IonicContact OE1-NE 3.3Å; E303-R326 IonicContact OE1-NH1 3.5Å; E303-R326 PolarHBondContact OE1-NH1 3.32Å |
| 327 | M | 82.8 | Confident | 73.3 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -87.3 | 159.5 | 169.1 | 67.6 | -174.1 | 81.5 | 0 | 0 | 110.1 | D256 Q257 Q331 F332 T335 | D256-M327 WeakPolarHBondContact CA-O 3.22Å; Q257-M327 WeakPolarHBondContact CB-O 3.42Å; Q257-M327 PolarHBondContact N-O 3.23Å; M327-Q331 HydrophobicContact CB-CB 4Å; M327-Q331 HydrophobicContact CG-CB 3.97Å; M327-Q331 HydrophobicContact SD-CB 3.94Å; M327-F332 HydrophobicContact CG-CB 3.84Å; M327-F332 HydrophobicContact SD-CB 4.22Å; M327-T335 HydrophobicContact CE-CG2 4.04Å; M327-T335 HydrophobicContact SD-CG2 3.74Å |
| 328 | S | 79.8 | Confident | 73.7 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 155.1 | 175.8 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | V330 Q331 F332 | S328-V330 PolarHBondContact O-N 2.88Å; S328-V330 VanDerWaalsContact O-N 3.16Å; S328-Q331 CarbonylContact O-C 3.3Å; S328-Q331 WeakPolarHBondContact O-CA 3.4Å; S328-Q331 WeakPolarHBondContact O-CB 3.46Å; S328-Q331 PolarHBondContact O-N 2.86Å; S328-Q331 WeakPolarHBondContact OG-CG 3.31Å; S328-Q331 PolarHBondContact OG-N 3.46Å; S328-Q331 PolarHBondContact OG-OE1 2.93Å; S328-F332 PolarHBondContact O-N 2.72Å |
| 329 | R | 76.9 | Confident | 73.7 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.7 | -38.1 | 179.3 | -166.1 | 177.5 | -71.2 | 158.8 | 0.5 | 112.2 | D256 D258 T259 D262 Q331 F332 M333 L362 | D256-R329 HydrophobicContact CB-CB 4.33Å; D256-R329 WeakPolarHBondContact OD1-CB 3.22Å; D256-R329 IonicContact OD1-CZ 3.74Å; D256-R329 IonicContact OD1-NE 3.71Å; D256-R329 PolarHBondContact OD1-NE 3.11Å; D256-R329 IonicContact OD1-NH2 2.76Å; D258-R329 VanDerWaalsContact C-NH2 3.28Å; D258-R329 HydrophobicContact CB-CB 4.02Å; D258-R329 WeakPolarHBondContact OD2-CB 3.44Å; D258-R329 PolarHBondContact OD2-N 3.36Å; T259-R329 PolarHBondContact OG1-NE 3.24Å; T259-R329 PolarHBondContact OG1-NH2 2.97Å; D262-R329 IonicContact OD2-CZ 2.72Å; D262-R329 IonicContact OD2-NH1 3.73Å; D262-R329 PolarHBondContact OD2-NH1 3.12Å; D262-R329 IonicContact OD2-NH2 3.08Å; D262-R329 PolarHBondContact OD2-NH2 2.77Å; R329-Q331 PolarHBondContact O-N 3.31Å; R329-F332 PolarHBondContact O-N 2.89Å; R329-M333 HydrophobicContact CG-CG 4.41Å; R329-M333 WeakPolarHBondContact O-CB 3.33Å; R329-M333 WeakPolarHBondContact O-CG 3.46Å; R329-M333 PolarHBondContact O-N 2.8Å; R329-L362 HydrophobicContact CG-CD2 3.97Å |
| 330 | V | 72.3 | Confident | 74 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.9 | -15.2 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 113.1 | S328 K334 | S328-V330 PolarHBondContact O-N 2.88Å; S328-V330 VanDerWaalsContact O-N 3.16Å; V330-K334 VanDerWaalsContact O-CD 3.28Å; V330-K334 WeakPolarHBondContact O-CD 3.37Å; V330-K334 WeakPolarHBondContact O-CE 3.41Å; V330-K334 PolarHBondContact O-NZ 2.69Å |
| 331 | Q | 79.1 | Confident | 74 | Confident | 103 Ų | 103 | 61.7 Ų | 61.7 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -94.6 | -42.8 | 169.2 | -70.9 | 159.3 | -31.4 | 0 | 0 | 111.2 | M327 S328 R329 M333 K334 | M327-Q331 HydrophobicContact CB-CB 4Å; M327-Q331 HydrophobicContact CG-CB 3.97Å; M327-Q331 HydrophobicContact SD-CB 3.94Å; S328-Q331 CarbonylContact O-C 3.3Å; S328-Q331 WeakPolarHBondContact O-CA 3.4Å; S328-Q331 WeakPolarHBondContact O-CB 3.46Å; S328-Q331 PolarHBondContact O-N 2.86Å; S328-Q331 WeakPolarHBondContact OG-CG 3.31Å; S328-Q331 PolarHBondContact OG-N 3.46Å; S328-Q331 PolarHBondContact OG-OE1 2.93Å; R329-Q331 PolarHBondContact O-N 3.31Å; Q331-M333 PolarHBondContact O-N 3.48Å; Q331-K334 WeakPolarHBondContact O-CB 3.27Å; Q331-K334 PolarHBondContact O-N 3.03Å |
| 332 | F | 78.9 | Confident | 73.5 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 179 | -179.8 | -111.3 | 0 | 0 | 0 | 112.2 | P255 D256 M327 S328 R329 K334 T335 E337 G338 L341 | P255-F332 HydrophobicContact CB-CD1 4.34Å; P255-F332 HydrophobicContact CB-CD2 4.25Å; P255-F332 HydrophobicContact CB-CE1 3.87Å; P255-F332 HydrophobicContact CB-CE2 3.77Å; P255-F332 HydrophobicContact CB-CZ 3.57Å; P255-F332 HydrophobicContact CG-CD1 4.22Å; P255-F332 HydrophobicContact CG-CE1 3.66Å; P255-F332 HydrophobicContact CG-CE2 4.48Å; P255-F332 HydrophobicContact CG-CZ 3.82Å; D256-F332 HydrophobicContact CB-CB 4Å; D256-F332 HydrophobicContact CB-CD1 4.24Å; D256-F332 HydrophobicContact CB-CG 4.26Å; M327-F332 HydrophobicContact CG-CB 3.84Å; M327-F332 HydrophobicContact SD-CB 4.22Å; S328-F332 PolarHBondContact O-N 2.72Å; R329-F332 PolarHBondContact O-N 2.89Å; F332-K334 PolarHBondContact O-N 3.29Å; F332-T335 PolarHBondContact O-N 2.96Å; F332-T335 PolarHBondContact O-OG1 3.47Å; F332-T335 VanDerWaalsContact O-OG1 3.08Å; F332-E337 HydrophobicContact CE2-CB 3.91Å; F332-E337 HydrophobicContact CZ-CB 4.22Å; F332-G338 WeakPolarHBondContact O-CA 3.42Å; F332-L341 HydrophobicContact CE1-CD1 4.23Å; F332-L341 HydrophobicContact CZ-CD1 4.42Å |
| 333 | M | 73.1 | Confident | 72.8 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 7.9 | 173.7 | -63.4 | -79.2 | 95.7 | 0 | 0 | 114.6 | R329 Q331 L342 L362 | R329-M333 HydrophobicContact CG-CG 4.41Å; R329-M333 WeakPolarHBondContact O-CB 3.33Å; R329-M333 WeakPolarHBondContact O-CG 3.46Å; R329-M333 PolarHBondContact O-N 2.8Å; Q331-M333 PolarHBondContact O-N 3.48Å; M333-L342 HydrophobicContact CE-CD1 4.5Å; M333-L342 HydrophobicContact CE-CG 4.27Å; M333-L342 HydrophobicContact SD-CD1 3.76Å; M333-L342 HydrophobicContact SD-CD2 4.24Å; M333-L342 HydrophobicContact SD-CG 3.94Å; M333-L362 HydrophobicContact SD-CB 4.44Å; M333-L362 HydrophobicContact SD-CD1 3.83Å; M333-L362 HydrophobicContact SD-CD2 4.17Å; M333-L362 HydrophobicContact SD-CG 4.35Å |
| 334 | K | 76 | Confident | 72.4 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 5.5 | 173.3 | -61.2 | 173 | -176.2 | 140.9 | 0 | 112.7 | V330 Q331 F332 | V330-K334 VanDerWaalsContact O-CD 3.28Å; V330-K334 WeakPolarHBondContact O-CD 3.37Å; V330-K334 WeakPolarHBondContact O-CE 3.41Å; V330-K334 PolarHBondContact O-NZ 2.69Å; Q331-K334 WeakPolarHBondContact O-CB 3.27Å; Q331-K334 PolarHBondContact O-N 3.03Å; F332-K334 PolarHBondContact O-N 3.29Å |
| 335 | T | 76.9 | Confident | 71.6 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 16% | 0.16 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -91.4 | 155.9 | 166.9 | 75.2 | 0 | 0 | 0 | 0 | 109.4 | M327 F332 E337 G338 E339 | M327-T335 HydrophobicContact CE-CG2 4.04Å; M327-T335 HydrophobicContact SD-CG2 3.74Å; F332-T335 PolarHBondContact O-N 2.96Å; F332-T335 PolarHBondContact O-OG1 3.47Å; F332-T335 VanDerWaalsContact O-OG1 3.08Å; T335-E337 PolarHBondContact O-N 3.41Å; T335-E337 PolarHBondContact OG1-N 3.21Å; T335-G338 PolarHBondContact O-N 2.77Å; T335-G338 VanDerWaalsContact O-N 3.08Å; T335-G338 PolarHBondContact OG1-N 2.7Å; T335-E339 PolarHBondContact O-N 3.5Å |
| 336 | P | 71.4 | Confident | 70.4 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58 | -27.6 | 172.5 | -24.2 | 35.3 | 0 | 0 | 0 | 112.8 | A340 | P336-A340 WeakPolarHBondContact O-CB 3.19Å; P336-A340 PolarHBondContact O-N 3.03Å |
| 337 | E | 67.7 | Low | 68.7 | Low | 128 Ų | 128 | 60.5 Ų | 60.5 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | 175.2 | -58.5 | 156 | -173.7 | 0 | 0 | 111.6 | F332 T335 A340 L341 | F332-E337 HydrophobicContact CE2-CB 3.91Å; F332-E337 HydrophobicContact CZ-CB 4.22Å; T335-E337 PolarHBondContact O-N 3.41Å; T335-E337 PolarHBondContact OG1-N 3.21Å; E337-A340 PolarHBondContact O-N 3.3Å; E337-L341 VanDerWaalsContact O-CB 3.25Å; E337-L341 WeakPolarHBondContact O-CB 3.4Å; E337-L341 PolarHBondContact O-N 3.43Å |
| 338 | G | 69.9 | Low | 67 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | F332 T335 L341 L342 | F332-G338 WeakPolarHBondContact O-CA 3.42Å; T335-G338 PolarHBondContact O-N 2.77Å; T335-G338 VanDerWaalsContact O-N 3.08Å; T335-G338 PolarHBondContact OG1-N 2.7Å; G338-L341 PolarHBondContact O-N 2.73Å; G338-L342 WeakPolarHBondContact O-CG 3.27Å; G338-L342 PolarHBondContact O-N 2.69Å |
| 339 | E | 69.1 | Low | 65.3 | Low | 82 Ų | 82 | 61.5 Ų | 61.5 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 174.4 | -67.4 | 173.3 | 160.6 | 0 | 0 | 111.4 | T335 S343 | T335-E339 PolarHBondContact O-N 3.5Å; E339-S343 WeakPolarHBondContact O-CB 3.18Å; E339-S343 PolarHBondContact O-N 3.19Å; E339-S343 PolarHBondContact O-OG 3Å |
| 340 | A | 66.9 | Low | 63.7 | Low | 54 Ų | 54 | 65.3 Ų | 65.3 | 45% | 0.446 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.4 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P336 E337 S343 S344 | P336-A340 WeakPolarHBondContact O-CB 3.19Å; P336-A340 PolarHBondContact O-N 3.03Å; E337-A340 PolarHBondContact O-N 3.3Å; A340-S343 PolarHBondContact O-N 2.57Å; A340-S344 WeakPolarHBondContact O-CB 3.13Å; A340-S344 PolarHBondContact O-N 2.6Å |
| 341 | L | 65 | Low | 62.6 | Low | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.6 | -177.6 | 150.5 | 0 | 0 | 0 | 110.9 | M200 P255 F332 E337 G338 M345 | M200-L341 HydrophobicContact CE-CB 4.05Å; M200-L341 HydrophobicContact CE-CD1 4.23Å; M200-L341 HydrophobicContact CE-CG 3.87Å; P255-L341 HydrophobicContact CG-CD1 4.44Å; F332-L341 HydrophobicContact CE1-CD1 4.23Å; F332-L341 HydrophobicContact CZ-CD1 4.42Å; E337-L341 VanDerWaalsContact O-CB 3.25Å; E337-L341 WeakPolarHBondContact O-CB 3.4Å; E337-L341 PolarHBondContact O-N 3.43Å; G338-L341 PolarHBondContact O-N 2.73Å; L341-M345 HydrophobicContact CD2-SD 4.36Å; L341-M345 WeakPolarHBondContact O-CB 3.47Å; L341-M345 WeakPolarHBondContact O-CG 3.24Å; L341-M345 PolarHBondContact O-N 2.59Å; L341-M345 VanDerWaalsContact O-N 3.1Å |
| 342 | L | 62.1 | Low | 61.1 | Low | 47 Ų | 47 | 62.9 Ų | 62.9 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.6 | -54.2 | 169.8 | -76.1 | 171.3 | 0 | 0 | 0 | 110.7 | M333 G338 S344 M345 H346 L362 | M333-L342 HydrophobicContact CE-CD1 4.5Å; M333-L342 HydrophobicContact CE-CG 4.27Å; M333-L342 HydrophobicContact SD-CD1 3.76Å; M333-L342 HydrophobicContact SD-CD2 4.24Å; M333-L342 HydrophobicContact SD-CG 3.94Å; G338-L342 WeakPolarHBondContact O-CG 3.27Å; G338-L342 PolarHBondContact O-N 2.69Å; L342-S344 PolarHBondContact O-N 2.85Å; L342-M345 PolarHBondContact O-N 2.96Å; L342-M345 VanDerWaalsContact O-N 3.15Å; L342-H346 PolarHBondContact O-CD2 3.12Å; L342-H346 PolarHBondContact O-N 3.49Å; L342-L362 HydrophobicContact CD2-CD1 3.63Å |
| 343 | S | 61.1 | Low | 59.7 | Low | 64 Ų | 64 | 66.1 Ų | 66.1 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | -176.1 | -58.6 | 0 | 0 | 0 | 0 | 113 | E339 A340 H346 A347 | E339-S343 WeakPolarHBondContact O-CB 3.18Å; E339-S343 PolarHBondContact O-N 3.19Å; E339-S343 PolarHBondContact O-OG 3Å; A340-S343 PolarHBondContact O-N 2.57Å; S343-H346 PolarHBondContact O-N 3.23Å; S343-A347 WeakPolarHBondContact O-CB 3.11Å; S343-A347 PolarHBondContact O-N 3.01Å |
| 344 | S | 56.6 | Low | 58.5 | Low | 59 Ų | 59 | 66 Ų | 66 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | A340 L342 H346 A347 L348 | A340-S344 WeakPolarHBondContact O-CB 3.13Å; A340-S344 PolarHBondContact O-N 2.6Å; L342-S344 PolarHBondContact O-N 2.85Å; S344-H346 VanDerWaalsContact C-N 3.32Å; S344-H346 PolarHBondContact O-N 3.44Å; S344-A347 WeakPolarHBondContact O-CB 3.31Å; S344-A347 PolarHBondContact O-N 3.35Å; S344-A347 VanDerWaalsContact O-N 3.07Å; S344-L348 PolarHBondContact O-N 2.78Å |
| 345 | M | 53.6 | Low | 57.3 | Low | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.2 | -24.7 | 176.3 | -70.9 | -158.2 | 73.9 | 0 | 0 | 114.4 | K207 L341 L342 | K207-M345 HydrophobicContact CD-CE 3.99Å; K207-M345 HydrophobicContact CD-SD 4.46Å; K207-M345 PolarHBondContact NZ-SD 3.22Å; L341-M345 HydrophobicContact CD2-SD 4.36Å; L341-M345 WeakPolarHBondContact O-CB 3.47Å; L341-M345 WeakPolarHBondContact O-CG 3.24Å; L341-M345 PolarHBondContact O-N 2.59Å; L341-M345 VanDerWaalsContact O-N 3.1Å; L342-M345 PolarHBondContact O-N 2.96Å; L342-M345 VanDerWaalsContact O-N 3.15Å |
| 346 | H | 54.6 | Low | 56.2 | Low | 109 Ų | 109 | 61.2 Ų | 61.2 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -77.2 | -20.1 | 169.2 | -75 | -67.3 | 0 | 0 | 0 | 113.2 | L342 S343 S344 | L342-H346 PolarHBondContact O-CD2 3.12Å; L342-H346 PolarHBondContact O-N 3.49Å; S343-H346 PolarHBondContact O-N 3.23Å; S344-H346 VanDerWaalsContact C-N 3.32Å; S344-H346 PolarHBondContact O-N 3.44Å |
| 347 | A | 49.1 | Very low | 55.3 | Low | 75 Ų | 75 | 60.1 Ų | 60.1 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -85.1 | -17.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | S343 S344 P349 | S343-A347 WeakPolarHBondContact O-CB 3.11Å; S343-A347 PolarHBondContact O-N 3.01Å; S344-A347 WeakPolarHBondContact O-CB 3.31Å; S344-A347 PolarHBondContact O-N 3.35Å; S344-A347 VanDerWaalsContact O-N 3.07Å; A347-P349 WeakPolarHBondContact O-CD 3.41Å |
| 348 | L | 48 | Very low | 54.6 | Low | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | trans | -64.1 | 115.3 | 178 | -72.2 | 170.2 | 0 | 0 | 0 | 111.3 | E164 S344 T350 S351 | E164-L348 HydrophobicContact CB-CD2 4.34Å; E164-L348 HydrophobicContact CG-CD2 3.75Å; S344-L348 PolarHBondContact O-N 2.78Å; L348-T350 VanDerWaalsContact C-N 3.29Å; L348-T350 PolarHBondContact O-N 2.65Å; L348-T350 VanDerWaalsContact O-N 3.15Å; L348-S351 PolarHBondContact O-N 2.93Å | ||
| 349 | P | 42.6 | Very low | 53.8 | Low | 99 Ų | 99 | 58.9 Ų | 58.9 | 64% | 0.643 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -37.7 | -168.5 | -27.4 | 34.9 | 0 | 0 | 0 | 114.7 | A347 S351 | A347-P349 WeakPolarHBondContact O-CD 3.41Å; P349-S351 VanDerWaalsContact C-N 3.31Å; P349-S351 PolarHBondContact O-N 3.49Å |
| 350 | T | 44.3 | Very low | 53.3 | Low | 102 Ų | 102 | 62.7 Ų | 62.7 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.7 | -169.4 | -23.8 | 0 | 0 | 0 | 0 | 114.1 | E164 L348 | E164-T350 PolarHBondContact O-OG1 2.75Å; L348-T350 VanDerWaalsContact C-N 3.29Å; L348-T350 PolarHBondContact O-N 2.65Å; L348-T350 VanDerWaalsContact O-N 3.15Å |
| 351 | S | 49.7 | Very low | 52.5 | Low | 5 Ų | 5 | 63.2 Ų | 63.2 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | trans | -134.8 | 21.8 | -152 | -168.2 | 0 | 0 | 0 | 0 | 117.3 | L348 P349 S353 M354 A355 | L348-S351 PolarHBondContact O-N 2.93Å; P349-S351 VanDerWaalsContact C-N 3.31Å; P349-S351 PolarHBondContact O-N 3.49Å; S351-S353 PolarHBondContact O-N 3.37Å; S351-S353 VanDerWaalsContact O-N 3.12Å; S351-M354 PolarHBondContact O-N 3.25Å; S351-M354 VanDerWaalsContact O-N 3.15Å; S351-M354 WeakPolarHBondContact OG-CB 3.46Å; S351-M354 WeakPolarHBondContact OG-CE 3.34Å; S351-A355 PolarHBondContact O-N 3.08Å | ||
| 352 | Q | 45.7 | Very low | 51.9 | Low | 137 Ų | 137 | 64 Ų | 64 | 64% | 0.64 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -53.5 | -35.1 | 174.4 | -71.2 | -169.6 | -2.4 | 0 | 0 | 113.1 | A355 S356 | Q352-A355 PolarHBondContact O-N 2.88Å; Q352-S356 PolarHBondContact O-N 3.23Å |
| 353 | S | 49.8 | Very low | 51.2 | Low | 80 Ų | 80 | 66.1 Ų | 66.1 | 56% | 0.559 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.1 | -60.1 | 173.6 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | S351 A355 S356 D357 | S351-S353 PolarHBondContact O-N 3.37Å; S351-S353 VanDerWaalsContact O-N 3.12Å; S353-A355 PolarHBondContact O-N 3.36Å; S353-S356 PolarHBondContact O-N 2.92Å; S353-S356 PolarHBondContact O-OG 3.39Å; S353-D357 PolarHBondContact O-N 2.94Å |
| 354 | M | 48.7 | Very low | 50.8 | Low | 36 Ų | 36 | 69.6 Ų | 69.6 | 18% | 0.177 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.7 | -25.7 | -178.2 | -46.3 | -164 | -60.1 | 0 | 0 | 112.7 | P166 R170 S351 M358 | P166-M354 HydrophobicContact CB-CE 3.8Å; P166-M354 HydrophobicContact CB-SD 4.19Å; P166-M354 HydrophobicContact CG-CE 3.74Å; P166-M354 HydrophobicContact CG-SD 4.22Å; R170-M354 PolarHBondContact NH2-SD 3.42Å; S351-M354 PolarHBondContact O-N 3.25Å; S351-M354 VanDerWaalsContact O-N 3.15Å; S351-M354 WeakPolarHBondContact OG-CB 3.46Å; S351-M354 WeakPolarHBondContact OG-CE 3.34Å; M354-M358 WeakPolarHBondContact O-CB 3.42Å; M354-M358 WeakPolarHBondContact O-CG 3.24Å; M354-M358 PolarHBondContact O-N 3.19Å |
| 355 | A | 50.7 | Low | 50.2 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.041 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S351 Q352 S353 M358 D359 | S351-A355 PolarHBondContact O-N 3.08Å; Q352-A355 PolarHBondContact O-N 2.88Å; S353-A355 PolarHBondContact O-N 3.36Å; A355-M358 PolarHBondContact O-N 3.42Å; A355-D359 PolarHBondContact O-N 2.79Å |
| 356 | S | 53.7 | Low | 50 | Low | 57 Ų | 57 | 72.1 Ų | 72.1 | 40% | 0.399 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.2 | -35.7 | 175.6 | 78 | 0 | 0 | 0 | 0 | 113.5 | Q352 S353 R360 | Q352-S356 PolarHBondContact O-N 3.23Å; S353-S356 PolarHBondContact O-N 2.92Å; S353-S356 PolarHBondContact O-OG 3.39Å; S356-R360 WeakPolarHBondContact O-CB 3.34Å; S356-R360 WeakPolarHBondContact O-CG 3.38Å; S356-R360 PolarHBondContact O-N 2.99Å |
| 357 | D | 53.1 | Low | 49.9 | Very low | 66 Ų | 66 | 74.6 Ų | 74.6 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.2 | -32.8 | 173.3 | -74.8 | -45.1 | 0 | 0 | 0 | 111.9 | S353 R360 M361 | S353-D357 PolarHBondContact O-N 2.94Å; D357-R360 CarbonylContact O-C 3.52Å; D357-R360 WeakPolarHBondContact O-CB 3.25Å; D357-R360 PolarHBondContact O-N 3.11Å; D357-R360 IonicContact OD1-NH1 2.77Å; D357-M361 WeakPolarHBondContact O-CB 3.29Å; D357-M361 WeakPolarHBondContact O-CG 3.15Å; D357-M361 PolarHBondContact O-N 2.82Å |
| 358 | M | 52.2 | Low | 49.6 | Very low | 17 Ų | 17 | 75 Ų | 75 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 172.2 | -81 | -54.8 | -42.1 | 0 | 0 | 112.7 | K207 M354 A355 R360 M361 L362 | K207-M358 HydrophobicContact CD-CE 4.41Å; K207-M358 HydrophobicContact CD-CG 3.8Å; K207-M358 HydrophobicContact CD-SD 3.39Å; K207-M358 WeakPolarHBondContact CD-SD 3.42Å; K207-M358 WeakPolarHBondContact CE-SD 3.49Å; K207-M358 HydrophobicContact CG-SD 3.63Å; M354-M358 WeakPolarHBondContact O-CB 3.42Å; M354-M358 WeakPolarHBondContact O-CG 3.24Å; M354-M358 PolarHBondContact O-N 3.19Å; A355-M358 PolarHBondContact O-N 3.42Å; M358-R360 VanDerWaalsContact C-N 3.27Å; M358-R360 PolarHBondContact O-N 3.15Å; M358-M361 HydrophobicContact CE-CB 4.33Å; M358-M361 CarbonylContact O-C 3.47Å; M358-M361 WeakPolarHBondContact O-CA 3.21Å; M358-M361 PolarHBondContact O-N 2.74Å; M358-L362 HydrophobicContact CB-CD1 4.48Å; M358-L362 HydrophobicContact CE-CD1 3.94Å; M358-L362 HydrophobicContact CE-CD2 3.91Å; M358-L362 HydrophobicContact CE-CG 3.71Å; M358-L362 WeakPolarHBondContact O-CB 3.27Å; M358-L362 WeakPolarHBondContact O-CG 3.16Å; M358-L362 PolarHBondContact O-N 2.95Å |
| 359 | D | 53.4 | Low | 49.2 | Very low | 85 Ų | 85 | 77.5 Ų | 77.5 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 172.2 | -177.4 | 27.2 | 0 | 0 | 0 | 110.6 | A355 M361 L362 S363 | A355-D359 PolarHBondContact O-N 2.79Å; D359-M361 PolarHBondContact O-N 2.83Å; D359-L362 PolarHBondContact O-N 2.81Å; D359-S363 WeakPolarHBondContact O-CB 2.88Å; D359-S363 PolarHBondContact O-N 3.28Å; D359-S363 PolarHBondContact O-OG 3.3Å; D359-S363 PolarHBondContact OD1-OG 3.07Å |
| 360 | R | 58 | Low | 48.9 | Very low | 161 Ų | 161 | 76.5 Ų | 76.5 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.7 | -22.1 | 170.1 | -76.3 | 170.9 | 156.7 | -171.9 | -3.6 | 114.9 | S356 D357 M358 R364 | S356-R360 WeakPolarHBondContact O-CB 3.34Å; S356-R360 WeakPolarHBondContact O-CG 3.38Å; S356-R360 PolarHBondContact O-N 2.99Å; D357-R360 CarbonylContact O-C 3.52Å; D357-R360 WeakPolarHBondContact O-CB 3.25Å; D357-R360 PolarHBondContact O-N 3.11Å; D357-R360 IonicContact OD1-NH1 2.77Å; M358-R360 VanDerWaalsContact C-N 3.27Å; M358-R360 PolarHBondContact O-N 3.15Å; R360-R364 WeakPolarHBondContact O-CB 3.05Å; R360-R364 VanDerWaalsContact O-CG 3.23Å; R360-R364 WeakPolarHBondContact O-CG 2.93Å; R360-R364 PolarHBondContact O-NE 3.37Å |
| 361 | M | 51.8 | Low | 48.6 | Very low | 66 Ų | 66 | 75.3 Ų | 75.3 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -93.7 | -33.7 | 177 | -78.9 | -178.5 | 62 | 0 | 0 | 112.7 | E210 D357 M358 D359 R364 | E210-M361 WeakPolarHBondContact OE2-CE 3.2Å; D357-M361 WeakPolarHBondContact O-CB 3.29Å; D357-M361 WeakPolarHBondContact O-CG 3.15Å; D357-M361 PolarHBondContact O-N 2.82Å; M358-M361 HydrophobicContact CE-CB 4.33Å; M358-M361 CarbonylContact O-C 3.47Å; M358-M361 WeakPolarHBondContact O-CA 3.21Å; M358-M361 PolarHBondContact O-N 2.74Å; D359-M361 PolarHBondContact O-N 2.83Å; M361-R364 PolarHBondContact O-N 2.69Å |
| 362 | L | 52.1 | Low | 48 | Very low | 29 Ų | 29 | 77.9 Ų | 77.9 | 15% | 0.152 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -73.9 | -35.4 | 175.9 | -62.9 | 163.9 | 0 | 0 | 0 | 110.8 | R329 M333 L342 M358 D359 R364 | R329-L362 HydrophobicContact CG-CD2 3.97Å; M333-L362 HydrophobicContact SD-CB 4.44Å; M333-L362 HydrophobicContact SD-CD1 3.83Å; M333-L362 HydrophobicContact SD-CD2 4.17Å; M333-L362 HydrophobicContact SD-CG 4.35Å; L342-L362 HydrophobicContact CD2-CD1 3.63Å; M358-L362 HydrophobicContact CB-CD1 4.48Å; M358-L362 HydrophobicContact CE-CD1 3.94Å; M358-L362 HydrophobicContact CE-CD2 3.91Å; M358-L362 HydrophobicContact CE-CG 3.71Å; M358-L362 WeakPolarHBondContact O-CB 3.27Å; M358-L362 WeakPolarHBondContact O-CG 3.16Å; M358-L362 PolarHBondContact O-N 2.95Å; D359-L362 PolarHBondContact O-N 2.81Å; L362-R364 VanDerWaalsContact C-N 3.34Å |
| 363 | S | 46.9 | Very low | 47.6 | Very low | 92 Ų | 92 | 74.7 Ų | 74.7 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -76.5 | -13.6 | 170.5 | -68 | 0 | 0 | 0 | 0 | 114.1 | D359 K365 | D359-S363 WeakPolarHBondContact O-CB 2.88Å; D359-S363 PolarHBondContact O-N 3.28Å; D359-S363 PolarHBondContact O-OG 3.3Å; D359-S363 PolarHBondContact OD1-OG 3.07Å; S363-K365 PolarHBondContact O-N 3.05Å |
| 364 | R | 52.2 | Low | 47 | Very low | 137 Ų | 137 | 76 Ų | 76 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -77.8 | 114.9 | 175.3 | -99.7 | 179.3 | -102.7 | -163 | 0.1 | 110.2 | R360 M361 L362 S366 | R360-R364 WeakPolarHBondContact O-CB 3.05Å; R360-R364 VanDerWaalsContact O-CG 3.23Å; R360-R364 WeakPolarHBondContact O-CG 2.93Å; R360-R364 PolarHBondContact O-NE 3.37Å; M361-R364 PolarHBondContact O-N 2.69Å; L362-R364 VanDerWaalsContact C-N 3.34Å; R364-S366 PolarHBondContact O-N 3.12Å |
| 365 | K | 44.2 | Very low | 46.4 | Very low | 116 Ų | 116 | 79.1 Ų | 79.1 | 50% | 0.504 | 39% | 0.392 | S | S | . | . | trans | -48.2 | 128.9 | 160.2 | -66 | -174.7 | -173.7 | 176.6 | 0 | 108.4 | S363 Q370 E373 | S363-K365 PolarHBondContact O-N 3.05Å; K365-Q370 PolarHBondContact O-NE2 3.43Å; K365-E373 WeakPolarHBondContact CD-OE2 3.33Å; K365-E373 IonicContact NZ-OE1 3.14Å; K365-E373 PolarHBondContact NZ-OE1 3.23Å; K365-E373 IonicContact NZ-OE2 2.82Å; K365-E373 PolarHBondContact NZ-OE2 2.64Å | ||
| 366 | S | 49.2 | Very low | 45.8 | Very low | 13 Ų | 13 | 85.9 Ų | 85.9 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | trans | -56.9 | 147.3 | -174.6 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | D262 R364 R368 F369 Q370 R1337 | D262-S366 PolarHBondContact OD1-OG 3.45Å; R364-S366 PolarHBondContact O-N 3.12Å; S366-R368 PolarHBondContact O-N 3Å; S366-F369 PolarHBondContact O-N 3.38Å; S366-Q370 PolarHBondContact O-N 2.85Å; S366-R1337 PolarHBondContact OG-NH1 3.23Å | ||
| 367 | K | 52.5 | Low | 45 | Very low | 161 Ų | 161 | 89.4 Ų | 89.4 | 70% | 0.7 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -46.5 | -38.4 | -174.9 | -62.3 | 166.4 | -176 | 164.1 | 0 | 112.2 | F369 Q370 S371 | K367-F369 VanDerWaalsContact C-N 3.34Å; K367-F369 PolarHBondContact O-N 3.25Å; K367-Q370 PolarHBondContact O-N 3.49Å; K367-S371 PolarHBondContact O-N 3.39Å |
| 368 | R | 44 | Very low | 44 | Very low | 84 Ų | 84 | 90.9 Ų | 90.9 | 32% | 0.317 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.4 | -26.2 | -177.9 | -154.2 | 163.7 | 178.4 | -157.6 | -14.5 | 114.1 | D265 S366 F1338 T1343 | D265-R368 IonicContact OD1-NH1 2.78Å; D265-R368 PolarHBondContact OD1-NH1 3.49Å; D265-R368 IonicContact OD2-NH1 3.22Å; D265-R368 PolarHBondContact OD2-NH1 2.81Å; D265-R368 VanDerWaalsContact OD2-NH1 3.14Å; S366-R368 PolarHBondContact O-N 3Å; R368-F1338 PolarHBondContact NH1-O 2.94Å; R368-T1343 PolarHBondContact NH2-OG1 2.85Å |
| 369 | F | 39.4 | Very low | 43 | Very low | 80 Ų | 80 | 93 Ų | 93 | 35% | 0.351 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -82.1 | -32.3 | 171.8 | -88.1 | -92.1 | 0 | 0 | 0 | 112.7 | S366 K367 S371 V372 E373 R1335 | S366-F369 PolarHBondContact O-N 3.38Å; K367-F369 VanDerWaalsContact C-N 3.34Å; K367-F369 PolarHBondContact O-N 3.25Å; F369-S371 PolarHBondContact O-N 3.24Å; F369-V372 PolarHBondContact O-N 2.66Å; F369-E373 PolarHBondContact O-N 2.98Å; F369-R1335 HydrophobicContact CZ-CB 4.44Å |
| 370 | Q | 35.5 | Very low | 41.9 | Very low | 77 Ų | 77 | 96.9 Ų | 96.9 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | -179.2 | -62.2 | -173.3 | 16.1 | 0 | 0 | 112 | K365 S366 K367 V372 E373 N374 | K365-Q370 PolarHBondContact O-NE2 3.43Å; S366-Q370 PolarHBondContact O-N 2.85Å; K367-Q370 PolarHBondContact O-N 3.49Å; Q370-V372 PolarHBondContact O-N 2.85Å; Q370-E373 PolarHBondContact O-N 3.41Å; Q370-N374 VanDerWaalsContact O-CB 3.28Å; Q370-N374 WeakPolarHBondContact O-CB 3.3Å; Q370-N374 PolarHBondContact O-N 2.88Å; Q370-N374 PolarHBondContact O-ND2 3.36Å |
| 371 | S | 38.5 | Very low | 40.7 | Very low | 78 Ų | 78 | 93.7 Ų | 93.7 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -29.2 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | K367 F369 L375 | K367-S371 PolarHBondContact O-N 3.39Å; F369-S371 PolarHBondContact O-N 3.24Å; S371-L375 WeakPolarHBondContact O-CD1 3.25Å; S371-L375 WeakPolarHBondContact O-CG 3.22Å; S371-L375 PolarHBondContact O-N 2.89Å |
| 372 | V | 37.4 | Very low | 39.8 | Very low | 58 Ų | 58 | 100.2 Ų | 100.2 | 35% | 0.352 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -80.3 | -43.2 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | F369 Q370 L375 Q376 | F369-V372 PolarHBondContact O-N 2.66Å; Q370-V372 PolarHBondContact O-N 2.85Å; V372-L375 PolarHBondContact O-N 3.48Å; V372-Q376 WeakPolarHBondContact O-CG 3.21Å; V372-Q376 PolarHBondContact O-N 3.27Å |
| 373 | E | 36.4 | Very low | 38.7 | Very low | 71 Ų | 71 | 104 Ų | 104 | 33% | 0.332 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.7 | -36.2 | 176.2 | -69.7 | -172.9 | 148.2 | 0 | 0 | 112.5 | K365 F369 Q370 L375 Q376 N377 | K365-E373 WeakPolarHBondContact CD-OE2 3.33Å; K365-E373 IonicContact NZ-OE1 3.14Å; K365-E373 PolarHBondContact NZ-OE1 3.23Å; K365-E373 IonicContact NZ-OE2 2.82Å; K365-E373 PolarHBondContact NZ-OE2 2.64Å; F369-E373 PolarHBondContact O-N 2.98Å; Q370-E373 PolarHBondContact O-N 3.41Å; E373-L375 VanDerWaalsContact C-N 3.35Å; E373-L375 PolarHBondContact O-N 2.95Å; E373-Q376 PolarHBondContact O-N 3.24Å; E373-Q376 VanDerWaalsContact O-N 3.12Å; E373-N377 PolarHBondContact O-N 3.28Å; E373-N377 VanDerWaalsContact O-N 3.16Å; E373-N377 PolarHBondContact O-ND2 3.49Å |
| 374 | N | 36.3 | Very low | 38 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.2 | -35.8 | 177.9 | -72.2 | -19.5 | 0 | 0 | 0 | 112.3 | Q370 Q376 S378 | Q370-N374 VanDerWaalsContact O-CB 3.28Å; Q370-N374 WeakPolarHBondContact O-CB 3.3Å; Q370-N374 PolarHBondContact O-N 2.88Å; Q370-N374 PolarHBondContact O-ND2 3.36Å; N374-Q376 PolarHBondContact O-N 2.88Å; N374-S378 PolarHBondContact O-N 3.4Å; N374-S378 PolarHBondContact O-OG 2.97Å |
| 375 | L | 36 | Very low | 37.1 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.2 | -16.7 | 173.2 | -76.9 | 169.7 | 0 | 0 | 0 | 113.8 | S371 V372 E373 V1359 | S371-L375 WeakPolarHBondContact O-CD1 3.25Å; S371-L375 WeakPolarHBondContact O-CG 3.22Å; S371-L375 PolarHBondContact O-N 2.89Å; V372-L375 PolarHBondContact O-N 3.48Å; E373-L375 VanDerWaalsContact C-N 3.35Å; E373-L375 PolarHBondContact O-N 2.95Å; L375-V1359 HydrophobicContact CD1-CG1 4.49Å; L375-V1359 HydrophobicContact CD2-CG1 4.28Å |
| 376 | Q | 39.6 | Very low | 36.3 | Very low | 146 Ų | 146 | 105.5 Ų | 105.5 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -98.6 | -18 | 179.3 | -65.9 | -172 | -75.2 | 0 | 0 | 113.5 | V372 E373 N374 | V372-Q376 WeakPolarHBondContact O-CG 3.21Å; V372-Q376 PolarHBondContact O-N 3.27Å; E373-Q376 PolarHBondContact O-N 3.24Å; E373-Q376 VanDerWaalsContact O-N 3.12Å; N374-Q376 PolarHBondContact O-N 2.88Å |
| 377 | N | 36.4 | Very low | 35.5 | Very low | 132 Ų | 132 | 111 Ų | 111 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -101 | -13.4 | -179.7 | -71.8 | -41 | 0 | 0 | 0 | 114.3 | E373 G379 | E373-N377 PolarHBondContact O-N 3.28Å; E373-N377 VanDerWaalsContact O-N 3.16Å; E373-N377 PolarHBondContact O-ND2 3.49Å; N377-G379 VanDerWaalsContact C-N 3.27Å; N377-G379 PolarHBondContact O-N 2.82Å |
| 378 | S | 31.3 | Very low | 34.3 | Very low | 97 Ų | 97 | 110.5 Ų | 110.5 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | trans | -80.2 | 63.4 | -178.7 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | N374 | N374-S378 PolarHBondContact O-N 3.4Å; N374-S378 PolarHBondContact O-OG 2.97Å | ||
| 379 | G | 31.2 | Very low | 33.7 | Very low | 60 Ų | 60 | 116.8 Ų | 116.8 | 62% | 0.619 | 65% | 0.65 | S | S | * | * | trans | -149.4 | 30.9 | -161.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | N377 | N377-G379 VanDerWaalsContact C-N 3.27Å; N377-G379 PolarHBondContact O-N 2.82Å | ||
| 380 | L | 31.2 | Very low | 33.1 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -171.6 | 123.2 | 157.4 | -104.4 | 153.7 | 0 | 0 | 0 | 113.9 | ||
| 381 | S | 31.6 | Very low | 33 | Very low | 94 Ų | 94 | 122 Ų | 122 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | trans | 58.1 | 109.1 | 151.4 | -62.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 382 | K | 33.5 | Very low | 32.6 | Very low | 203 Ų | 203 | 126.4 Ų | 126.4 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | 38.6 | 141.4 | 113.4 | -60.3 | 172 | -176.2 | 177.4 | 0 | 119.4 | |||||
| 383 | S | 28.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | cis | -178.1 | -175.2 | -6.7 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 384 | V | 32.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | trans | 84.4 | 91.2 | 159.3 | -170.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 385 | T | 33.7 | Very low | 31.9 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 46.2 | 109.2 | 135.3 | 66.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 386 | N | 27.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 53 | 112.1 | 103.7 | -164.1 | 26.5 | 0 | 0 | 0 | 120.6 | |||||
| 387 | T | 33.4 | Very low | 31.3 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | -177.2 | 157.5 | 111.6 | 25.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 388 | N | 27.2 | Very low | 31 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -83.6 | 141.1 | -175.9 | -65.8 | -35.6 | 0 | 0 | 0 | 113.5 | ||||
| 389 | F | 29.9 | Very low | 30.9 | Very low | 216 Ų | 216 | 147.1 Ų | 147.1 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | trans | -149.9 | 149.1 | 140.2 | -109.9 | -77.3 | 0 | 0 | 0 | 110.4 | ||||
| 390 | H | 28.2 | Very low | 30.8 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -135.7 | 127.8 | -164.9 | -171.5 | 69.3 | 0 | 0 | 0 | 111.1 | H392 | H390-H392 AromaticContact NE2-CD2 3.71Š| ||
| 391 | P | 33.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 150 Ų | 150 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -124.2 | 128.5 | 168.4 | 35.2 | -22 | 0 | 0 | 0 | 113.3 | ||||
| 392 | H | 29.2 | Very low | 30.6 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -96.5 | 113 | 163.2 | -105.6 | -78.2 | 0 | 0 | 0 | 109.6 | H390 | H390-H392 AromaticContact NE2-CD2 3.71Š| ||
| 393 | T | 34.5 | Very low | 30.4 | Very low | 114 Ų | 114 | 147 Ų | 147 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -152 | 122.6 | 165.8 | 20.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 394 | K | 32.8 | Very low | 30.3 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | 53 | 120.6 | 139 | -61.4 | 177.8 | -179.9 | -178.2 | 0 | 120.3 | ||||
| 395 | Q | 29.7 | Very low | 30.2 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 22.9 | 112.8 | 131.8 | -65.8 | 170.6 | -50.5 | 0 | 0 | 118.4 | ||||
| 396 | T | 33.9 | Very low | 30 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -143.9 | 129.5 | 143.9 | -37.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 397 | E | 27.2 | Very low | 30.4 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -83 | 172.2 | 169.5 | -66.4 | -176.4 | 115.2 | 0 | 0 | 111.6 | ||||
| 398 | H | 30.2 | Very low | 30.2 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 73.3 | 133.3 | 163.2 | -88.1 | -76.4 | 0 | 0 | 0 | 120.2 | ||||
| 399 | K | 30 | Very low | 30.4 | Very low | 189 Ų | 189 | 157.2 Ų | 157.2 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | 69.8 | 93.2 | 155.6 | -62.6 | 171.3 | -176.7 | 176.4 | 0 | 117.5 | ||||
| 400 | L | 30.1 | Very low | 30.4 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -137.8 | 86 | 140.9 | -131.6 | 164.9 | 0 | 0 | 0 | 110.7 | ||||
| 401 | V | 27.8 | Very low | 30.8 | Very low | 122 Ų | 122 | 157 Ų | 157 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | trans | -113.4 | 145.3 | 166.1 | 169.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 402 | N | 29.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 157.6 Ų | 157.6 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | 68.9 | 96.2 | -179 | -58.7 | -26 | 0 | 0 | 0 | 117 | ||||
| 403 | A | 28.9 | Very low | 30.6 | Very low | 83 Ų | 83 | 157.1 Ų | 157.1 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | trans | -161.9 | 61.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 404 | F | 28.4 | Very low | 30.3 | Very low | 217 Ų | 217 | 158.4 Ų | 158.4 | 95% | 0.952 | 82% | 0.816 | S | S | * | * | trans | -161.8 | 61.3 | 154.6 | -109.3 | -63.6 | 0 | 0 | 0 | 113 | ||||
| 405 | L | 28.3 | Very low | 30.3 | Very low | 176 Ų | 176 | 155.8 Ų | 155.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -112.9 | 155 | 159.4 | -90.1 | 168.4 | 0 | 0 | 0 | 109 | ||||
| 406 | A | 30.8 | Very low | 30.2 | Very low | 96 Ų | 96 | 151.3 Ų | 151.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | 80.4 | 84.9 | 179 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 407 | K | 35.2 | Very low | 30 | Very low | 215 Ų | 215 | 154.3 Ų | 154.3 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | -159.4 | 131.8 | 121.4 | -109.1 | 168.6 | -175.3 | 176.4 | 0 | 111.6 | |||||
| 408 | E | 29.2 | Very low | 30.2 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -85.6 | 163.7 | 178.5 | -55.4 | 174 | 98 | 0 | 0 | 111.8 | ||||
| 409 | G | 31.8 | Very low | 30.2 | Very low | 76 Ų | 76 | 152.2 Ų | 152.2 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 179.7 | 38.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 410 | K | 30.5 | Very low | 30.3 | Very low | 189 Ų | 189 | 153.2 Ų | 153.2 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 3.3 | 128.2 | 166.4 | -59.2 | 174.1 | -178.7 | 175.5 | 0 | 119 | ||||
| 411 | H | 35.5 | Very low | 30.3 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | -162.9 | 137.8 | 121.9 | -111.8 | -70.4 | 0 | 0 | 0 | 116.1 | |||||
| 412 | N | 31.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 160 Ų | 160 | 65% | 0.652 | 80% | 0.804 | S | S | * | * | trans | -17 | 133.1 | 176.8 | -56.7 | 14.5 | 0 | 0 | 0 | 123.4 | ||||
| 413 | E | 27.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | 31.8 | 121.2 | 120.8 | -49.9 | 177.1 | 150.8 | 0 | 0 | 120.8 | |||||
| 414 | N | 28.2 | Very low | 30.6 | Very low | 141 Ų | 141 | 163.5 Ų | 163.5 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | 177.9 | 169.7 | 98.4 | -100.9 | -76 | 0 | 0 | 0 | 114.3 | |||||
| 415 | L | 33.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 158.2 Ų | 158.2 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | trans | 71.4 | 71.4 | 162.9 | -67.4 | 149.8 | 0 | 0 | 0 | 119.5 | R1331 | L415-R1331 PolarHBondContact O-NH1 3.39Å; L415-R1331 PolarHBondContact O-NH2 3.48Å | ||
| 416 | S | 28.5 | Very low | 30.8 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | 49.1 | 138.1 | 115.7 | -163.3 | 0 | 0 | 0 | 0 | 122.1 | R1331 | S416-R1331 PolarHBondContact O-NH2 2.99Š| |||
| 417 | R | 29.6 | Very low | 30.9 | Very low | 205 Ų | 205 | 155.5 Ų | 155.5 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 97.8 | 116.9 | 158.4 | -87.8 | -172.5 | 164.3 | 144.1 | -0.8 | 121.2 | ||||
| 418 | D | 30.8 | Very low | 30.7 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 85.2 | 128.8 | 139.3 | -49.2 | -26.6 | 0 | 0 | 0 | 121.9 | ||||
| 419 | D | 30.7 | Very low | 31 | Very low | 158 Ų | 158 | 150.9 Ų | 150.9 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | 40.3 | 95.5 | 166.5 | -65.6 | -25.9 | 0 | 0 | 0 | 122.9 | ||||
| 420 | K | 30.6 | Very low | 31.2 | Very low | 210 Ų | 210 | 152.2 Ų | 152.2 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | trans | -143.1 | 113.9 | 138.9 | -70.4 | -165.9 | 179.5 | 176.9 | 0 | 113.3 | ||||
| 421 | R | 31.5 | Very low | 31.2 | Very low | 252 Ų | 252 | 147.6 Ų | 147.6 | 95% | 0.951 | 73% | 0.729 | S | S | * | * | trans | -139.2 | 92.6 | 151.3 | -86 | -162.3 | -88.4 | -164.7 | -3.9 | 110 | ||||
| 422 | K | 32.3 | Very low | 31.1 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | trans | -106.9 | 117.5 | 161.9 | -90.3 | -165.6 | 174.6 | -170.6 | 0 | 108 | ||||
| 423 | P | 31.6 | Very low | 31.4 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -93.4 | 122.9 | 164.1 | 32.7 | -27.4 | 0 | 0 | 0 | 111.5 | ||||
| 424 | E | 27.7 | Very low | 31.7 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | trans | 36.1 | 100.1 | 137.7 | -61.9 | 169 | -167.9 | 0 | 0 | 119.6 | ||||
| 425 | M | 31.9 | Very low | 32.1 | Very low | 106 Ų | 106 | 138 Ų | 138 | 52% | 0.522 | 69% | 0.686 | S | S | . | * | trans | -146.8 | 14.5 | 157.2 | -143.4 | -169.7 | -73.1 | 0 | 0 | 116.7 | G427 R1171 | M425-G427 PolarHBondContact O-N 3.27Å; M425-R1171 PolarHBondContact SD-NH2 3.46Å | ||
| 426 | N | 29.3 | Very low | 32.2 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 43.1 | -177.8 | -67.5 | 35.7 | 0 | 0 | 0 | 113.3 | ||
| 427 | G | 32.2 | Very low | 32.4 | Very low | 58 Ų | 58 | 141 Ų | 141 | 60% | 0.598 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -0.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | M425 | M425-G427 PolarHBondContact O-N 3.27Š|
| 428 | Y | 32.3 | Very low | 32.5 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -124.5 | -24.3 | -168.7 | -127.1 | -104.8 | 0 | 0 | 0 | 116.2 | D430 | Y428-D430 VanDerWaalsContact C-N 3.31Å; Y428-D430 PolarHBondContact O-N 2.74Å |
| 429 | I | 35.6 | Very low | 32.5 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 66% | 0.656 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -66.3 | -35 | -178 | -63 | 175.6 | 0 | 0 | 0 | 111.4 | N431 L432 | I429-N431 PolarHBondContact O-N 3.02Å; I429-N431 VanDerWaalsContact O-N 3.11Å; I429-L432 PolarHBondContact O-N 3.43Å |
| 430 | D | 34.4 | Very low | 32.6 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 56% | 0.556 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.7 | -10.1 | -170.2 | -155.3 | 54.3 | 0 | 0 | 0 | 114.8 | Y428 K434 | Y428-D430 VanDerWaalsContact C-N 3.31Å; Y428-D430 PolarHBondContact O-N 2.74Å; D430-K434 VanDerWaalsContact O-CD 3.3Å; D430-K434 WeakPolarHBondContact O-CD 3.41Å; D430-K434 IonicContact OD1-NZ 3.48Å; D430-K434 IonicContact OD2-NZ 2.76Å; D430-K434 PolarHBondContact OD2-NZ 2.86Å |
| 431 | N | 32.1 | Very low | 32.6 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -95.9 | -30.9 | 179.6 | -75.8 | -43.4 | 0 | 0 | 0 | 114 | I429 K434 I435 | I429-N431 PolarHBondContact O-N 3.02Å; I429-N431 VanDerWaalsContact O-N 3.11Å; N431-K434 PolarHBondContact O-N 2.96Å; N431-I435 VanDerWaalsContact O-CG1 3.3Å; N431-I435 WeakPolarHBondContact O-CG1 3.48Å; N431-I435 PolarHBondContact O-N 2.85Å; N431-I435 VanDerWaalsContact O-N 3.16Å |
| 432 | L | 33.1 | Very low | 32.5 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 53% | 0.534 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.2 | -46 | -179 | -82.1 | 162.8 | 0 | 0 | 0 | 111.5 | I429 K434 I435 Q436 | I429-L432 PolarHBondContact O-N 3.43Å; L432-K434 VanDerWaalsContact C-N 3.26Å; L432-K434 PolarHBondContact O-N 3.06Å; L432-I435 PolarHBondContact O-N 3.5Å; L432-I435 VanDerWaalsContact O-N 3.07Å; L432-Q436 PolarHBondContact O-N 2.75Å; L432-Q436 VanDerWaalsContact O-N 3.1Å |
| 433 | T | 36.7 | Very low | 32.4 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.3 | -37.5 | 177 | -37.7 | 0 | 0 | 0 | 0 | 112 | F437 | T433-F437 PolarHBondContact O-N 3.04Å |
| 434 | K | 34.3 | Very low | 32.5 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 47% | 0.474 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -75.2 | -24.9 | 177.7 | -70.9 | 174.9 | -174.3 | 156.8 | 0 | 113.7 | D430 N431 L432 N438 | D430-K434 VanDerWaalsContact O-CD 3.3Å; D430-K434 WeakPolarHBondContact O-CD 3.41Å; D430-K434 IonicContact OD1-NZ 3.48Å; D430-K434 IonicContact OD2-NZ 2.76Å; D430-K434 PolarHBondContact OD2-NZ 2.86Å; N431-K434 PolarHBondContact O-N 2.96Å; L432-K434 VanDerWaalsContact C-N 3.26Å; L432-K434 PolarHBondContact O-N 3.06Å; K434-N438 PolarHBondContact O-ND2 3.44Å |
| 435 | I | 36.5 | Very low | 32.8 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -83.7 | -30.9 | 178.2 | -71.2 | 168.7 | 0 | 0 | 0 | 111.9 | N431 L432 | N431-I435 VanDerWaalsContact O-CG1 3.3Å; N431-I435 WeakPolarHBondContact O-CG1 3.48Å; N431-I435 PolarHBondContact O-N 2.85Å; N431-I435 VanDerWaalsContact O-N 3.16Å; L432-I435 PolarHBondContact O-N 3.5Å; L432-I435 VanDerWaalsContact O-N 3.07Å |
| 436 | Q | 35.7 | Very low | 32.6 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 67% | 0.673 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -77.4 | -37.6 | 174.7 | -72.9 | 178.7 | -100.2 | 0 | 0 | 112.7 | L432 R439 | L432-Q436 PolarHBondContact O-N 2.75Å; L432-Q436 VanDerWaalsContact O-N 3.1Å; Q436-R439 PolarHBondContact O-N 3.2Å |
| 437 | F | 31.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.3 | -35.8 | -179.9 | -148.5 | -96.2 | 0 | 0 | 0 | 113.1 | T433 R439 | T433-F437 PolarHBondContact O-N 3.04Å; F437-R439 VanDerWaalsContact C-N 3.28Å; F437-R439 PolarHBondContact O-N 3.12Å |
| 438 | N | 32.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 4.6 | -179.2 | -74.9 | -55.7 | 0 | 0 | 0 | 115 | K434 | K434-N438 PolarHBondContact O-ND2 3.44Š|
| 439 | R | 30.2 | Very low | 32.5 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 5.5 | 179.8 | -151.4 | 179.8 | -69.8 | -168.6 | -3.1 | 114.2 | Q436 F437 | Q436-R439 PolarHBondContact O-N 3.2Å; F437-R439 VanDerWaalsContact C-N 3.28Å; F437-R439 PolarHBondContact O-N 3.12Å |
| 440 | L | 32.1 | Very low | 32.4 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 86% | 0.859 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -123.3 | 11.4 | 178.3 | -68.9 | 171.7 | 0 | 0 | 0 | 113.1 | ||
| 441 | A | 30.2 | Very low | 32.3 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -140.3 | 47.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 442 | S | 29.4 | Very low | 32 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | trans | -149.7 | 122.9 | 170.1 | -77.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 443 | N | 31 | Very low | 32.1 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | trans | 65.3 | 133.3 | 155.4 | -58.6 | 62.5 | 0 | 0 | 0 | 118.6 | ||||
| 444 | E | 33.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | cis | -164.2 | 163 | -19.9 | -133.5 | 155.2 | -168.3 | 0 | 0 | 110.7 | ||||
| 445 | N | 33.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -75.9 | 134 | 166.6 | -60.3 | -59.5 | 0 | 0 | 0 | 108.7 | ||||
| 446 | G | 29 | Very low | 31.4 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | -92.5 | 163.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 447 | E | 30 | Very low | 31.1 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | trans | -155.9 | 135.6 | 155.5 | -125 | 174.4 | -174.1 | 0 | 0 | 114.6 | ||||
| 448 | A | 33.1 | Very low | 31.3 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | trans | 29.1 | 113.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 449 | T | 28.9 | Very low | 31.2 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | 79.7 | 155.4 | 123.8 | 64.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 450 | H | 32.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | trans | 74.3 | 132.3 | 171.6 | -61.7 | -58.6 | 0 | 0 | 0 | 117 | ||||
| 451 | K | 32.2 | Very low | 30.9 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | cis | -152.7 | 150.7 | 4.4 | -109.2 | 158.7 | -176.7 | 176.1 | 0 | 111.3 | ||||
| 452 | L | 26.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | -98.2 | 159.7 | 164.5 | -79 | 164.9 | 0 | 0 | 0 | 110.4 | ||||
| 453 | P | 34.4 | Very low | 30.7 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | -130.3 | 153.5 | 84.7 | 34.3 | -21.4 | 0 | 0 | 0 | 113.1 | |||||
| 454 | H | 29.5 | Very low | 30.6 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | cis | 94.4 | 110 | 31.3 | -177.3 | 31.5 | 0 | 0 | 0 | 114.9 | D456 | H454-D456 IonicContact CE1-OD1 2.52Å; H454-D456 PolarHBondContact CE1-OD1 3.48Å; H454-D456 IonicContact ND1-OD1 2.51Å; H454-D456 IonicContact NE2-OD1 3.78Å | ||
| 455 | F | 30.2 | Very low | 30.5 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -164.8 | 109.3 | 152.9 | -95.5 | -78.5 | 0 | 0 | 0 | 104.1 | ||||
| 456 | D | 33.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 58% | 0.583 | 77% | 0.765 | S | S | * | * | 78.6 | 137.8 | 86.5 | -66.6 | 4.5 | 0 | 0 | 0 | 112.7 | H454 | H454-D456 IonicContact CE1-OD1 2.52Å; H454-D456 PolarHBondContact CE1-OD1 3.48Å; H454-D456 IonicContact ND1-OD1 2.51Å; H454-D456 IonicContact NE2-OD1 3.78Å | |||
| 457 | E | 30.3 | Very low | 30.7 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | cis | -164.7 | -179.7 | -24.7 | -119.4 | -117.9 | 120.8 | 0 | 0 | 107.1 | ||||
| 458 | P | 35.1 | Very low | 30.5 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 59% | 0.591 | 75% | 0.751 | S | S | * | * | trans | -106.5 | -168.4 | -155.4 | 42.9 | -39.9 | 0 | 0 | 0 | 116.5 | ||||
| 459 | L | 30.5 | Very low | 30.4 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 171 | 105.3 | 151 | -89.1 | 161.6 | 0 | 0 | 0 | 107.5 | ||||
| 460 | T | 29.3 | Very low | 30.2 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | 71 | 116.5 | 75.6 | 66.6 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 461 | N | 26.6 | Very low | 30 | Very low | 170 Ų | 170 | 145 Ų | 145 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 66.5 | 149.2 | 143.5 | -61.4 | -8.7 | 0 | 0 | 0 | 122.8 | ||||
| 462 | G | 30.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | 114.2 | 93.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 463 | Q | 25 | Very low | 29.7 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | cis | 70.1 | 89.9 | 42.7 | -166.9 | 179.3 | -26.3 | 0 | 0 | 114 | ||||
| 464 | V | 30.5 | Very low | 29.3 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | -141.9 | 101.8 | 162 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 465 | D | 30.9 | Very low | 29.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 38.4 | 138.9 | 139.9 | -52.5 | -36.5 | 0 | 0 | 0 | 124.7 | ||||
| 466 | S | 30.3 | Very low | 29 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -79.9 | -179 | 162.1 | -156 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 467 | P | 35.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | -161.8 | 175.9 | 76.1 | 45.8 | -24.8 | 0 | 0 | 0 | 119.1 | |||||
| 468 | Y | 26.8 | Very low | 28.8 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | 51.4 | 123.3 | 151.3 | -58.8 | -49.9 | 0 | 0 | 0 | 122.1 | ||||
| 469 | Y | 29.9 | Very low | 28.4 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 92% | 0.918 | 78% | 0.781 | S | S | * | * | -147 | 160.5 | 90.6 | -122.6 | -91.1 | 0 | 0 | 0 | 111.3 | |||||
| 470 | N | 25.4 | Very low | 28.2 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | -136.2 | 177.9 | -166.1 | -155 | 2.1 | 0 | 0 | 0 | 111.4 | ||||
| 471 | N | 29.3 | Very low | 28.1 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | 78.7 | 147.2 | 172 | -54.1 | -15.8 | 0 | 0 | 0 | 115.7 | ||||
| 472 | S | 26.2 | Very low | 28 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | -171.7 | 146.6 | -13.2 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 473 | V | 24.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | 47.8 | 124 | 147.6 | 172.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 474 | D | 27.5 | Very low | 27.8 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | -148.9 | 168.5 | 66.7 | -126 | -40.9 | 0 | 0 | 0 | 115.9 | |||||
| 475 | V | 24.9 | Very low | 27.8 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -108.5 | 127.8 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 476 | D | 28.3 | Very low | 27.8 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -144.5 | 145.5 | 159.3 | -145.4 | -18.1 | 0 | 0 | 0 | 111.9 | ||||
| 477 | S | 28.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | trans | -107.6 | 116.3 | -163.1 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 478 | N | 29.2 | Very low | 27.7 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 94% | 0.941 | 73% | 0.728 | S | S | * | * | trans | -162.1 | 147.7 | 150.1 | -103.2 | -51.5 | 0 | 0 | 0 | 112.2 | ||||
| 479 | G | 26.2 | Very low | 27.9 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -84.2 | 115.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 480 | A | 27.2 | Very low | 28 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | trans | -153.2 | 125.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K482 | A480-K482 PolarHBondContact O-N 3.05Š| ||
| 481 | I | 26.8 | Very low | 28.5 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -72.3 | 119.2 | 171.3 | -61.8 | 175.6 | 0 | 0 | 0 | 107.4 | ||||
| 482 | K | 24.1 | Very low | 29.2 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | trans | -112.3 | 104.4 | 171.2 | -71.5 | 178.3 | 178.5 | 174.3 | 0 | 108.5 | A480 Y484 | A480-K482 PolarHBondContact O-N 3.05Å; K482-Y484 HydrophobicContact CB-CE2 4.34Å; K482-Y484 WeakPolarHBondContact O-CD2 3.03Å | ||
| 483 | T | 26.8 | Very low | 29.8 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | trans | -65.8 | 155.7 | 163.1 | -13.8 | 0 | 0 | 0 | 0 | 109.4 | E72 | E72-T483 VanDerWaalsContact CD-OG1 3.3Å; E72-T483 WeakPolarHBondContact OE1-CB 3.35Å; E72-T483 PolarHBondContact OE1-OG1 3.34Å; E72-T483 WeakPolarHBondContact OE2-CB 3.28Å; E72-T483 WeakPolarHBondContact OE2-CG2 3.36Å; E72-T483 PolarHBondContact OE2-OG1 3.07Å | ||
| 484 | Y | 25.2 | Very low | 30.4 | Very low | 204 Ų | 204 | 115.4 Ų | 115.4 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | trans | -113.9 | 134.9 | -177.9 | -84.8 | -96.2 | 0 | 0 | 0 | 111.9 | K482 | K482-Y484 HydrophobicContact CB-CE2 4.34Å; K482-Y484 WeakPolarHBondContact O-CD2 3.03Å | ||
| 485 | R | 29 | Very low | 31 | Very low | 158 Ų | 158 | 111 Ų | 111 | 60% | 0.596 | 60% | 0.602 | S | S | * | * | trans | -63.2 | 136.3 | -171.1 | -165.2 | -166.2 | -133.2 | 120.1 | -7.5 | 112.4 | D70 T487 | D70-R485 IonicContact OD1-CZ 2.6Å; D70-R485 IonicContact OD1-NE 3.31Å; D70-R485 PolarHBondContact OD1-NE 3.07Å; D70-R485 IonicContact OD1-NH2 3.76Å; D70-R485 PolarHBondContact OD1-NH2 2.73Å; R485-T487 HydrophobicContact CB-CG2 4.29Å; R485-T487 HydrophobicContact CG-CG2 4.21Å; R485-T487 PolarHBondContact O-N 3.42Å; R485-T487 PolarHBondContact O-OG1 3.03Å | ||
| 486 | I | 31.1 | Very low | 31.4 | Very low | 44 Ų | 44 | 106.6 Ų | 106.6 | 23% | 0.226 | 57% | 0.571 | C | S | . | * | trans | -59 | 106.6 | 168.3 | -62.8 | 177.3 | 0 | 0 | 0 | 108.3 | W62 N73 | W62-I486 HydrophobicContact CH2-CG2 3.97Å; W62-I486 HydrophobicContact CZ2-CG2 4.43Å; N73-I486 HydrophobicContact CB-CD1 3.99Å | ||
| 487 | T | 30.1 | Very low | 31.8 | Very low | 82 Ų | 82 | 101.9 Ų | 101.9 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | trans | -129.8 | 151.9 | 178.4 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | R485 S489 K490 | R485-T487 HydrophobicContact CB-CG2 4.29Å; R485-T487 HydrophobicContact CG-CG2 4.21Å; R485-T487 PolarHBondContact O-N 3.42Å; R485-T487 PolarHBondContact O-OG1 3.03Å; T487-S489 PolarHBondContact O-N 3Å; T487-K490 PolarHBondContact O-N 2.74Å | ||
| 488 | R | 34 | Very low | 31.9 | Very low | 256 Ų | 256 | 104 Ų | 104 | 97% | 0.966 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 25 | -152.8 | -144.2 | -178.2 | -166.4 | -175.7 | 4.7 | 117.3 | ||
| 489 | S | 31.4 | Very low | 31.9 | Very low | 102 Ų | 102 | 100.8 Ų | 100.8 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.2 | -6.7 | -178.4 | 57.7 | 0 | 0 | 0 | 0 | 117.3 | T487 | T487-S489 PolarHBondContact O-N 3Š|
| 490 | K | 32 | Very low | 32 | Very low | 170 Ų | 170 | 102.2 Ų | 102.2 | 74% | 0.739 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -147.5 | 116.2 | -171.9 | -67.6 | -173.5 | 179.7 | -179.4 | 0 | 116.1 | T487 | T487-K490 PolarHBondContact O-N 2.74Š|
| 491 | G | 36.4 | Very low | 32 | Very low | 41 Ų | 41 | 105.1 Ų | 105.1 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | trans | 79.2 | 131.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 492 | I | 42.2 | Very low | 32 | Very low | 38 Ų | 38 | 104.2 Ų | 104.2 | 20% | 0.195 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.4 | 166.1 | -72.8 | 176.2 | 0 | 0 | 0 | 108.4 | S5 F6 I8 L58 V75 | S5-I492 WeakPolarHBondContact CA-O 3.22Å; F6-I492 PolarHBondContact N-O 2.96Å; F6-I492 PolarHBondContact O-N 3.24Å; F6-I492 VanDerWaalsContact O-N 3.1Å; I8-I492 HydrophobicContact CB-CD1 4.12Å; I8-I492 HydrophobicContact CD1-CD1 3.9Å; I8-I492 HydrophobicContact CD1-CG2 4.45Å; I8-I492 HydrophobicContact CG1-CD1 4.11Å; L58-I492 HydrophobicContact CD2-CD1 3.64Å; V75-I492 HydrophobicContact CG2-CG2 4.01Å |
| 493 | S | 40.1 | Very low | 32.2 | Very low | 38 Ų | 38 | 105.2 Ų | 105.2 | 27% | 0.266 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.5 | 168.7 | -66.7 | 0 | 0 | 0 | 0 | 110.1 | V75 | V75-S493 PolarHBondContact N-O 3.23Å |
| 494 | L | 37.7 | Very low | 32.2 | Very low | 1 Ų | 1 | 107.7 Ų | 107.7 | 1% | 0.005 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 141.3 | 164.4 | -58.5 | 171.4 | 0 | 0 | 0 | 109.1 | I4 F6 I21 L25 V75 | I4-L494 PolarHBondContact N-O 3.39Å; I4-L494 VanDerWaalsContact N-O 3.14Å; I4-L494 WeakPolarHBondContact O-CA 3.16Å; I4-L494 WeakPolarHBondContact O-CB 3.4Å; I4-L494 PolarHBondContact O-N 2.92Å; F6-L494 HydrophobicContact CB-CD1 3.39Å; F6-L494 HydrophobicContact CB-CD2 4.47Å; F6-L494 HydrophobicContact CB-CG 3.69Å; F6-L494 HydrophobicContact CD2-CD1 4.45Å; F6-L494 HydrophobicContact CG-CD1 3.92Å; I21-L494 HydrophobicContact CB-CD1 4.4Å; I21-L494 HydrophobicContact CD1-CD2 4.38Å; I21-L494 HydrophobicContact CG1-CD1 4.2Å; I21-L494 HydrophobicContact CG1-CD2 4.42Å; I21-L494 HydrophobicContact CG2-CD1 3.93Å; I21-L494 HydrophobicContact CG2-CD2 4.07Å; L25-L494 HydrophobicContact CD1-CB 4.3Å; L25-L494 HydrophobicContact CD1-CD1 4.31Å; L25-L494 HydrophobicContact CD2-CB 4.03Å; L25-L494 HydrophobicContact CD2-CD1 4.13Å; L25-L494 HydrophobicContact CG-CD1 4.27Å; V75-L494 HydrophobicContact CB-CD2 4.49Å |
| 495 | V | 40.3 | Very low | 32.6 | Very low | 61 Ų | 61 | 105.3 Ų | 105.3 | 37% | 0.37 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.2 | 161.8 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | V75 | V75-V495 PolarHBondContact O-N 3.31Å |
| 496 | Y | 31.5 | Very low | 32.5 | Very low | 39 Ų | 39 | 100.9 Ų | 100.9 | 15% | 0.153 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.4 | 163.6 | -173.5 | -120.6 | 0 | 0 | 0 | 108 | L25 P27 P28 L77 E498 E499 | L25-Y496 HydrophobicContact CB-CD2 4.09Å; L25-Y496 HydrophobicContact CB-CG 4.14Å; L25-Y496 HydrophobicContact CD1-CD2 4.32Å; P27-Y496 HydrophobicContact CB-CD2 4.42Å; P27-Y496 HydrophobicContact CB-CE2 3.61Å; P28-Y496 WeakPolarHBondContact CD-OH 3.43Å; L77-Y496 HydrophobicContact CB-CD2 4.21Å; L77-Y496 HydrophobicContact CD2-CD2 4.08Å; L77-Y496 HydrophobicContact CD2-CE2 4.08Å; Y496-E498 HydrophobicContact CD1-CB 4.33Å; Y496-E498 HydrophobicContact CD1-CG 4.47Å; Y496-E498 HydrophobicContact CE1-CB 4.16Å; Y496-E498 HydrophobicContact CE1-CG 4.12Å; Y496-E499 PolarHBondContact OH-O 3.23Å |
| 497 | D | 37.4 | Very low | 32.5 | Very low | 61 Ų | 61 | 103.9 Ų | 103.9 | 33% | 0.326 | 56% | 0.556 | S | S | . | * | trans | -91.9 | 119.1 | 169.7 | -158.5 | 2.2 | 0 | 0 | 0 | 106.9 | V76 R78 E499 | V76-D497 HydrophobicContact CG1-CB 3.92Å; R78-D497 IonicContact CZ-OD2 3.43Å; R78-D497 IonicContact NH1-OD2 3.57Å; R78-D497 PolarHBondContact NH1-OD2 3.16Å; R78-D497 IonicContact NH2-OD2 2.66Å; R78-D497 PolarHBondContact NH2-OD2 2.83Å; D497-E499 PolarHBondContact O-N 2.8Å | ||
| 498 | E | 30.6 | Very low | 32.3 | Very low | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | trans | -82.7 | 42 | -162.9 | -161.1 | 155.3 | -150 | 0 | 0 | 112.8 | Y496 L500 | Y496-E498 HydrophobicContact CD1-CB 4.33Å; Y496-E498 HydrophobicContact CD1-CG 4.47Å; Y496-E498 HydrophobicContact CE1-CB 4.16Å; Y496-E498 HydrophobicContact CE1-CG 4.12Å; E498-L500 PolarHBondContact O-N 3.47Å | ||
| 499 | E | 30.7 | Very low | 32.1 | Very low | 109 Ų | 109 | 99.3 Ų | 99.3 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | trans | -79.1 | 115.3 | 173 | -67.2 | -169.1 | 125.6 | 0 | 0 | 110.1 | R78 Y496 D497 | R78-E499 IonicContact CZ-OE2 2.79Å; R78-E499 IonicContact NH1-OE2 3.82Å; R78-E499 PolarHBondContact NH1-OE2 3.38Å; Y496-E499 PolarHBondContact OH-O 3.23Å; D497-E499 PolarHBondContact O-N 2.8Å | ||
| 500 | L | 27.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 70.2 | 162.8 | -168.3 | -63.4 | 79.8 | 0 | 0 | 0 | 113.8 | P28 E498 | P28-L500 HydrophobicContact CB-CB 4.01Å; P28-L500 VanDerWaalsContact CG-C 3.47Å; P28-L500 HydrophobicContact CG-CB 3.45Å; P28-L500 VanDerWaalsContact CG-CB 3.45Å; P28-L500 WeakPolarHBondContact CG-O 3.27Å; E498-L500 PolarHBondContact O-N 3.47Å |
| 501 | R | 26.7 | Very low | 32.2 | Very low | 141 Ų | 141 | 96.8 Ų | 96.8 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | trans | 98.9 | 40.4 | -176.3 | -136.9 | 178.3 | -163.4 | 164.2 | 10.2 | 119 | H26 P27 P28 | H26-R501 VanDerWaalsContact C-NH1 3.3Å; H26-R501 WeakPolarHBondContact O-CD 3.39Å; H26-R501 PolarHBondContact O-NH1 3.06Å; P27-R501 PolarHBondContact O-NH1 2.75Å; P28-R501 HydrophobicContact CB-CB 3.58Å; P28-R501 HydrophobicContact CB-CG 3.79Å; P28-R501 HydrophobicContact CG-CB 3.9Å | ||
| 502 | T | 27.7 | Very low | 32.1 | Very low | 151 Ų | 151 | 102.1 Ų | 102.1 | 93% | 0.926 | 57% | 0.571 | S | S | * | * | trans | -102.2 | 104.3 | 130.6 | 42.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 503 | R | 27.4 | Very low | 31.5 | Very low | 180 Ų | 180 | 105.4 Ų | 105.4 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | trans | -154.7 | 121.7 | -174.3 | -177.5 | 176.5 | 178.9 | 137.2 | 21.1 | 111.1 | ||||
| 504 | E | 28.3 | Very low | 31.2 | Very low | 135 Ų | 135 | 108.3 Ų | 108.3 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | trans | 61.3 | 132.7 | 160.8 | -66.6 | 152.3 | -168.5 | 0 | 0 | 118.4 | ||||
| 505 | T | 32.3 | Very low | 31 | Very low | 153 Ų | 153 | 113.7 Ų | 113.7 | 94% | 0.939 | 65% | 0.651 | S | S | * | * | trans | 67.3 | 153.5 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 506 | G | 27.4 | Very low | 30.8 | Very low | 66 Ų | 66 | 117.8 Ų | 117.8 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | cis | 151.3 | 112.6 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 507 | A | 30.2 | Very low | 31.2 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 88% | 0.876 | 69% | 0.691 | S | S | * | * | trans | 60.2 | 166.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 508 | C | 26.9 | Very low | 31 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | cis | -179.5 | 150.7 | -43.5 | -154.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 509 | D | 30.4 | Very low | 31.2 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | 66.4 | 151.4 | 164.8 | -65.6 | -59.6 | 0 | 0 | 0 | 120.9 | ||||
| 510 | T | 30.7 | Very low | 31.4 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | cis | 176 | 125.5 | -31.5 | -93.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 511 | S | 33.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 154.2 | 149.6 | 153.8 | 47.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 512 | I | 34.7 | Very low | 32.1 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | cis | -159 | 137 | -17.9 | -113.5 | 161.4 | 0 | 0 | 0 | 108.5 | ||||
| 513 | S | 30.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | 54.3 | 150.7 | 156.5 | -146.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 514 | S | 34.7 | Very low | 32.8 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | cis | -164.8 | 165.1 | 14.4 | -18.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 515 | T | 32.9 | Very low | 33.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -158.2 | 134.4 | -1.7 | -41.3 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 516 | I | 35.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | 54.1 | 147 | 70.3 | -41.6 | 157.9 | 0 | 0 | 0 | 111.8 | |||||
| 517 | P | 40.3 | Very low | 33.7 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | cis | -98.9 | -158 | -6.3 | -4.1 | 29.4 | 0 | 0 | 0 | 113.5 | ||||
| 518 | Y | 34.3 | Very low | 33.8 | Very low | 201 Ų | 201 | 128.3 Ų | 128.3 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | cis | -167.4 | -173.7 | -6.3 | -102.1 | -26.8 | 0 | 0 | 0 | 106 | ||||
| 519 | E | 34 | Very low | 34 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | 178 | 157.3 | -55.7 | -108.7 | -164.7 | 72.2 | 0 | 0 | 107.9 | |||||
| 520 | N | 35.4 | Very low | 34.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | cis | -164.3 | 172.9 | -11 | -152.2 | -19.3 | 0 | 0 | 0 | 110.6 | ||||
| 521 | A | 35.9 | Very low | 34.1 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 60% | 0.603 | 73% | 0.725 | S | S | * | * | trans | 67.3 | 154.1 | 144.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 522 | E | 33 | Very low | 34 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | cis | -171.6 | 157.5 | -16.5 | -112.2 | 172.3 | 176.9 | 0 | 0 | 113.2 | ||||
| 523 | S | 34.3 | Very low | 33.9 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 72% | 0.723 | S | S | * | * | trans | 70.5 | 161.6 | 147.5 | 84.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 524 | M | 33.7 | Very low | 34 | Very low | 150 Ų | 150 | 131 Ų | 131 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | cis | -162.3 | 174.7 | -7.8 | -132 | 159.9 | 66.8 | 0 | 0 | 113.5 | ||||
| 525 | D | 36 | Very low | 34.1 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 72.7 | 155.1 | 156 | -58.7 | -26 | 0 | 0 | 0 | 122.6 | ||||
| 526 | D | 34.8 | Very low | 34.1 | Very low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | cis | -177.3 | 177.2 | -47.7 | 177.5 | 34.9 | 0 | 0 | 0 | 108.4 | ||||
| 527 | V | 37.5 | Very low | 33.9 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | trans | 98.9 | 99.5 | 150.1 | -170 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 528 | K | 31.5 | Very low | 33.6 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 46.2 | 142.1 | 132.6 | -50.8 | 172.3 | -171 | 69.4 | 0 | 120.4 | ||||
| 529 | G | 32.2 | Very low | 33.4 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | cis | 143.7 | -176.8 | 3.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 530 | K | 32.9 | Very low | 33.1 | Very low | 216 Ų | 216 | 126.2 Ų | 126.2 | 94% | 0.939 | 74% | 0.738 | S | S | * | * | trans | 70 | 147.8 | 169.7 | -80.7 | 171.6 | 177.6 | 174.8 | 0 | 117.2 | ||||
| 531 | S | 29.4 | Very low | 32.9 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -166.7 | -174.1 | -8.3 | -168.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 532 | I | 31.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 81.8 | 92.3 | 168.2 | -51.3 | 175.1 | 0 | 0 | 0 | 113.2 | ||||
| 533 | V | 33 | Very low | 32.7 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | 77.9 | 105.9 | 76.8 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 534 | V | 32.4 | Very low | 32.6 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | 73.5 | 140.6 | 59.7 | 174 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 535 | P | 35.2 | Very low | 32.5 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -105.4 | -158.5 | 5.2 | 43 | -31.7 | 0 | 0 | 0 | 112.2 | ||||
| 536 | D | 32.7 | Very low | 32.4 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -155.4 | -174.4 | 8.3 | -140.7 | -39.1 | 0 | 0 | 0 | 113.3 | ||||
| 537 | S | 31.9 | Very low | 32.5 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -122.6 | -156.4 | 167 | -138.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 538 | P | 34.1 | Very low | 32.3 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -142.7 | 165.7 | 17.3 | 44.2 | -24.1 | 0 | 0 | 0 | 119.1 | ||||
| 539 | V | 29.1 | Very low | 32.5 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 50.6 | 120.6 | 136.7 | 174.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 540 | A | 28.5 | Very low | 32.5 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | 174.6 | 136 | 116.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 541 | G | 30.3 | Very low | 32.4 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 88% | 0.876 | 75% | 0.747 | S | S | * | * | trans | -160.5 | 24.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 542 | S | 33.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -149.4 | 131.5 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 543 | L | 31.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | -176.2 | 96.4 | 129.3 | -101.8 | 162.8 | 0 | 0 | 0 | 111.7 | N545 K546 | L543-N545 PolarHBondContact O-N 3.29Å; L543-K546 HydrophobicContact CD1-CB 4.27Å; L543-K546 HydrophobicContact CD1-CD 4.33Å; L543-K546 HydrophobicContact CD2-CB 4.48Å | |||
| 544 | K | 32.5 | Very low | 32.8 | Very low | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -62.7 | 120 | 149.7 | -159.1 | 171.4 | -175.4 | 175.3 | 0 | 106.1 | ||
| 545 | N | 33 | Very low | 32.9 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 78.2 | 76.9 | 176.9 | -43.5 | -14.6 | 0 | 0 | 0 | 118.1 | L543 | L543-N545 PolarHBondContact O-N 3.29Š|
| 546 | K | 33.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | -159.7 | 10.7 | 157.7 | -128.2 | -179.7 | 179.9 | 177.5 | 0 | 123.5 | L543 | L543-K546 HydrophobicContact CD1-CB 4.27Å; L543-K546 HydrophobicContact CD1-CD 4.33Å; L543-K546 HydrophobicContact CD2-CB 4.48Å | ||
| 547 | I | 36.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | -123.7 | 54.5 | 175.5 | -40.4 | -177.6 | 0 | 0 | 0 | 113.4 | A549 L550 | I547-A549 VanDerWaalsContact C-N 3.26Å; I547-L550 HydrophobicContact CD1-CD1 4.39Å; I547-L550 HydrophobicContact CG2-CB 3.84Å; I547-L550 HydrophobicContact CG2-CD1 4.09Å; I547-L550 HydrophobicContact CG2-CG 3.98Å | ||
| 548 | E | 32.2 | Very low | 32.9 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 95% | 0.953 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -90.5 | 68 | 139.3 | -172.3 | 175.2 | -154 | 0 | 0 | 107.2 | ||
| 549 | A | 35.5 | Very low | 32.9 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | -158.2 | -29.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | I547 S551 | I547-A549 VanDerWaalsContact C-N 3.26Å; A549-S551 PolarHBondContact O-N 2.71Å; A549-S551 VanDerWaalsContact O-N 3.17Å | ||
| 550 | L | 32.5 | Very low | 33.1 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -94.1 | 60.8 | -173.8 | -72.9 | 175.9 | 0 | 0 | 0 | 113.4 | I547 | I547-L550 HydrophobicContact CD1-CD1 4.39Å; I547-L550 HydrophobicContact CG2-CB 3.84Å; I547-L550 HydrophobicContact CG2-CD1 4.09Å; I547-L550 HydrophobicContact CG2-CG 3.98Å | ||
| 551 | S | 31.7 | Very low | 33.3 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | -113.2 | 140.6 | 158.4 | 69.8 | 0 | 0 | 0 | 0 | 109.7 | A549 | A549-S551 PolarHBondContact O-N 2.71Å; A549-S551 VanDerWaalsContact O-N 3.17Å | ||
| 552 | R | 33.4 | Very low | 33.5 | Very low | 239 Ų | 239 | 137.9 Ų | 137.9 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | 88.4 | 141.3 | 176.2 | -52.5 | 162.2 | 176.5 | 148.2 | 0.6 | 116.4 | ||||
| 553 | A | 34.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | trans | 63.3 | 134.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 554 | S | 33.8 | Very low | 33.7 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -141.5 | 126.7 | -2.6 | -177 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 555 | Q | 34.5 | Very low | 33.8 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | 43.8 | 116.4 | 89.9 | -96.2 | -170.3 | 26.7 | 0 | 0 | 112.3 | |||||
| 556 | K | 34.8 | Very low | 33.9 | Very low | 167 Ų | 167 | 135 Ų | 135 | 73% | 0.726 | 74% | 0.742 | S | S | * | * | cis | -148.3 | 167 | 21.6 | -77.2 | 157.8 | 178.3 | 176.6 | 0 | 108.9 | ||||
| 557 | Q | 33.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -157.6 | -178.1 | -0.1 | -124.3 | 163.5 | -96.8 | 0 | 0 | 106.9 | ||||
| 558 | S | 32.5 | Very low | 33.7 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -157.9 | 179.2 | 4.3 | 38.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 559 | E | 33.4 | Very low | 33.8 | Very low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | -4.2 | 139.4 | 149.9 | -61.9 | 143.8 | -114.4 | 0 | 0 | 119 | ||||
| 560 | N | 32.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | cis | -171.8 | 164.1 | 0.3 | -101.4 | -15.6 | 0 | 0 | 0 | 109.2 | ||||
| 561 | S | 33.4 | Very low | 33.2 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | cis | -175.7 | 128.1 | -23.3 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 562 | T | 33.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | 62 | 161.2 | 152.2 | 55.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 563 | P | 36.6 | Very low | 32.9 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | cis | -115 | -148.4 | -19.5 | 22.6 | 2.7 | 0 | 0 | 0 | 109.8 | ||||
| 564 | I | 34.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | cis | -141.2 | 163.4 | 6.8 | -62.7 | 171.7 | 0 | 0 | 0 | 108.3 | ||||
| 565 | S | 32.9 | Very low | 32.5 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -105.7 | 158.4 | -168.9 | -38.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 566 | P | 35.7 | Very low | 32.4 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -107.2 | 159.7 | 159.1 | 38.8 | -31.1 | 0 | 0 | 0 | 113.5 | ||||
| 567 | P | 37.6 | Very low | 32.4 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -100.1 | 172 | 170.2 | 37.8 | -32.7 | 0 | 0 | 0 | 113.9 | ||||
| 568 | S | 28.9 | Very low | 32 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -140.2 | -159.5 | 176.8 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 569 | V | 34.2 | Very low | 32.2 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 84.3 | 141 | 169.8 | -176.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 570 | T | 29.8 | Very low | 32.2 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | cis | -164.9 | 163.2 | -28.3 | -84.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 571 | L | 26 | Very low | 32.1 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -59.9 | 145.2 | 174 | -68.9 | 136.8 | 0 | 0 | 0 | 115.2 | ||||
| 572 | S | 30.8 | Very low | 32 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -164.9 | 143.2 | 147.4 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 573 | N | 26.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -79.7 | 163.9 | 174.4 | -62.4 | -13.6 | 0 | 0 | 0 | 112.1 | ||||
| 574 | T | 31.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | 169.6 | 142.4 | 120.7 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 575 | T | 28.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 148.8 | -179.2 | -47.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 576 | G | 33.1 | Very low | 31.6 | Very low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | 178.3 | 87.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 577 | T | 33.1 | Very low | 31.3 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | trans | 69.9 | 156 | 134.9 | -47.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 578 | V | 26.7 | Very low | 31 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | trans | -123.3 | 137.2 | -169 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 579 | H | 35.7 | Very low | 30.9 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -166.4 | 114.5 | 140.9 | -128.2 | -108 | 0 | 0 | 0 | 117.2 | ||||
| 580 | L | 32.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | 39.2 | 147.8 | 127.4 | -142.3 | 72.8 | 0 | 0 | 0 | 124.4 | |||||
| 581 | L | 32.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | 94.2 | 150.3 | 156.8 | -56.2 | 171.6 | 0 | 0 | 0 | 119.1 | ||||
| 582 | K | 30.4 | Very low | 31 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | cis | -179 | 139.9 | -45.8 | 163.7 | 170.9 | 173.5 | 179.3 | 0 | 110.3 | ||||
| 583 | E | 31.7 | Very low | 31.1 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 62.2 | 140.6 | 167 | -81 | 173.9 | -159.5 | 0 | 0 | 117.5 | ||||
| 584 | K | 33.8 | Very low | 31.4 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | -178.5 | 149.3 | 66 | -131.5 | 172.8 | -174.5 | -176.1 | 0 | 113.5 | |||||
| 585 | H | 36.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | trans | 57 | 164.7 | 157.7 | -58.6 | -53.2 | 0 | 0 | 0 | 120.3 | ||||
| 586 | S | 27.1 | Very low | 31.6 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -178.8 | 160.2 | -37.8 | -164.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 587 | S | 30.2 | Very low | 31.6 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 66.9 | 112.9 | 160.5 | -48.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 588 | F | 31.2 | Very low | 31.6 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | -175.4 | 164.8 | 98.3 | -110 | -82.3 | 0 | 0 | 0 | 112 | |||||
| 589 | E | 26.2 | Very low | 31.7 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -153 | 159.7 | -164.9 | -175 | -176.7 | -133.3 | 0 | 0 | 111.4 | ||||
| 590 | N | 29.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 111 | 161.2 | 160.7 | -61.7 | -77.4 | 0 | 0 | 0 | 120.2 | ||||
| 591 | A | 33.4 | Very low | 31.6 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 71.7 | 123.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 592 | E | 29.3 | Very low | 31.5 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | 75.5 | 139 | 50.6 | -62.4 | -176.5 | 128.4 | 0 | 0 | 112.8 | |||||
| 593 | E | 31.8 | Very low | 31.6 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -145.1 | 170.1 | 21.7 | -124 | -165.9 | 135.5 | 0 | 0 | 112.3 | ||||
| 594 | P | 33.3 | Very low | 31.5 | Very low | 113 Ų | 113 | 158 Ų | 158 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -113.2 | 160.6 | -176.5 | 40 | -30.4 | 0 | 0 | 0 | 116.3 | ||||
| 595 | V | 36.1 | Very low | 31.5 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 137 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 596 | K | 28.7 | Very low | 31.3 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -143.4 | 176.3 | 167.9 | -97.3 | -177.5 | 178.9 | 175.6 | 0 | 106.6 | ||||
| 597 | P | 34.7 | Very low | 31.6 | Very low | 107 Ų | 107 | 159.6 Ų | 159.6 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | cis | -132.7 | -172.8 | 0.7 | 36.4 | -16.2 | 0 | 0 | 0 | 114 | ||||
| 598 | Q | 31.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | 170.8 | 156.5 | 115 | -88.9 | -167 | 23.1 | 0 | 0 | 113.2 | |||||
| 599 | L | 28.8 | Very low | 31.6 | Very low | 166 Ų | 166 | 157.5 Ų | 157.5 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -136.6 | 130.9 | -179 | -97.3 | 167.1 | 0 | 0 | 0 | 110.8 | ||||
| 600 | P | 35 | Very low | 32 | Very low | 128 Ų | 128 | 157 Ų | 157 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | trans | -82.3 | 159.1 | 166.8 | -14.7 | 31.7 | 0 | 0 | 0 | 113.6 | ||||
| 601 | R | 32.6 | Very low | 32 | Very low | 235 Ų | 235 | 157.9 Ų | 157.9 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -93.4 | 168.3 | -170.5 | -92.1 | 178.7 | 161.9 | 127 | -8.3 | 115.7 | ||||
| 602 | E | 28.6 | Very low | 32 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | -45.3 | 156.4 | 170.4 | -52.7 | 158.5 | 109.2 | 0 | 0 | 115.8 | ||||
| 603 | R | 34 | Very low | 32.1 | Very low | 256 Ų | 256 | 160.3 Ų | 160.3 | 97% | 0.966 | 82% | 0.818 | S | S | * | * | trans | -150.8 | 114.4 | 144.8 | -113.5 | 176.6 | -175.6 | -179.1 | 1.4 | 111.4 | ||||
| 604 | T | 29.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 159.7 Ų | 159.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -82.3 | 138.9 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 605 | G | 32.7 | Very low | 32.3 | Very low | 79 Ų | 79 | 161.7 Ų | 161.7 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -120.8 | 130.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 606 | K | 31.8 | Very low | 32 | Very low | 204 Ų | 204 | 160.1 Ų | 160.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -107.1 | 131.2 | 170.2 | -67.7 | 178 | 178 | 177.5 | 0 | 109.3 | ||||
| 607 | I | 33.3 | Very low | 32.3 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 177.4 | 139.2 | 165.8 | -98.5 | 145.3 | 0 | 0 | 0 | 105.9 | ||||
| 608 | L | 33.2 | Very low | 32.4 | Very low | 160 Ų | 160 | 157 Ų | 157 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | cis | -149.2 | 174 | -15.3 | -109.2 | 170.3 | 0 | 0 | 0 | 108.8 | ||||
| 609 | S | 29.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 153 Ų | 153 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -87.4 | 147.7 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 610 | V | 35.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 151 Ų | 151 | 92% | 0.915 | 80% | 0.797 | S | S | * | * | trans | -131.5 | 144.9 | 159.2 | -176.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 611 | K | 29.7 | Very low | 32.6 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 70% | 0.7 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 152 | -164.3 | 168.8 | 170.9 | 174.5 | 173.6 | 0 | 113.1 | ||||
| 612 | D | 33.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 60% | 0.599 | 79% | 0.788 | S | S | * | * | trans | 85.9 | 138.1 | 155.1 | -90.5 | 5.7 | 0 | 0 | 0 | 122.6 | ||||
| 613 | R | 31 | Very low | 33.9 | Very low | 216 Ų | 216 | 145.1 Ų | 145.1 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | 67.9 | 124.7 | 152.8 | -64.6 | 168.2 | -171.3 | -146.3 | 1.2 | 120.2 | ||||
| 614 | F | 33.5 | Very low | 34 | Very low | 171 Ų | 171 | 138 Ų | 138 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | -161.3 | 144.2 | 94.4 | -120.9 | -112.1 | 0 | 0 | 0 | 112.3 | |||||
| 615 | E | 35.1 | Very low | 34.4 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | 27.6 | 135.2 | 153.3 | -62.8 | 175 | 167.9 | 0 | 0 | 121.7 | ||||
| 616 | S | 30.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | cis | 101 | 116.6 | 23.4 | 76.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 617 | G | 34.3 | Very low | 34.9 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 174.9 | 86.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 618 | I | 36 | Very low | 35 | Very low | 166 Ų | 166 | 130 Ų | 130 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | 26 | 114.3 | 135.8 | -58.3 | 158.3 | 0 | 0 | 0 | 116.6 | ||||
| 619 | S | 34.3 | Very low | 34.9 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | 166.1 | 166.8 | 72.4 | -126.2 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 620 | T | 34.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -141.2 | -157.8 | -5.7 | 45.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 621 | K | 32.7 | Very low | 35.2 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | cis | -156.5 | 157.7 | 0.6 | -152.8 | 168.8 | 179.8 | -180 | 0 | 111 | ||||
| 622 | P | 41.2 | Very low | 35.9 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | trans | -129.2 | -165.3 | -173.2 | 41.7 | -24.2 | 0 | 0 | 0 | 114.1 | ||||
| 623 | P | 47 | Very low | 36 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -141.4 | -173.5 | -46.4 | 36.7 | -18.2 | 0 | 0 | 0 | 115.8 | ||||
| 624 | S | 35.4 | Very low | 36 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | 74.7 | 159 | 145 | 77.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 625 | S | 37.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -151.4 | -163.4 | 22.3 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 626 | P | 40.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | -135.6 | 169.8 | -70.3 | 41 | -25 | 0 | 0 | 0 | 116.6 | |||||
| 627 | G | 35.1 | Very low | 36.4 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | 80.6 | 163 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 628 | S | 36.1 | Very low | 36.5 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | -174.4 | 159.6 | -1.7 | -93.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 629 | L | 31.8 | Very low | 36.3 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | cis | -169.6 | -176.7 | -14.3 | -174 | 54.4 | 0 | 0 | 0 | 108.5 | ||||
| 630 | V | 37.9 | Very low | 36.1 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | trans | 89.6 | 146.7 | 165.6 | -167.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 631 | S | 32.6 | Very low | 36.1 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -172 | -154.1 | -160.9 | -152.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 632 | P | 44.4 | Very low | 36.1 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | cis | -142.7 | -161 | -14.8 | 33.1 | -8 | 0 | 0 | 0 | 115 | ||||
| 633 | K | 35.2 | Very low | 35.7 | Very low | 191 Ų | 191 | 125 Ų | 125 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | trans | 82.2 | 148.5 | 152.3 | -71.9 | 165.9 | -176.1 | 174.8 | 0 | 119.1 | ||||
| 634 | K | 32.1 | Very low | 34.8 | Very low | 174 Ų | 174 | 124.5 Ų | 124.5 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | cis | -170.4 | 153.4 | -23.4 | -150.6 | -176.8 | -179.1 | -172.3 | 0 | 107.1 | ||||
| 635 | V | 36.4 | Very low | 34.5 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | 168.3 | 129 | 95.4 | 160.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 636 | N | 34.5 | Very low | 34.2 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | 40.3 | 153.9 | 143.1 | -61.2 | 31 | 0 | 0 | 0 | 122.4 | ||||
| 637 | T | 34.8 | Very low | 33.8 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | cis | -160.8 | 142.5 | 1.8 | -118.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 638 | E | 36.3 | Very low | 33.9 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 66% | 0.659 | 75% | 0.75 | S | S | * | * | trans | 56.4 | 125.8 | 147.6 | -61.7 | -174.9 | 110.6 | 0 | 0 | 125.8 | ||||
| 639 | Q | 33.5 | Very low | 33.8 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 61 | 142.4 | 126 | -58.6 | -169 | 58.4 | 0 | 0 | 121.5 | |||||
| 640 | T | 29.2 | Very low | 34.2 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 63% | 0.632 | 74% | 0.738 | S | S | * | * | cis | -163.3 | 150.4 | -15.5 | 20.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 641 | N | 34.6 | Very low | 34.3 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 135.9 | 125.6 | 142.2 | -72.2 | -33.9 | 0 | 0 | 0 | 117.8 | ||||
| 642 | T | 33.2 | Very low | 35.2 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | 69.8 | 132.6 | 149.6 | -41.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 643 | P | 31.5 | Very low | 35.8 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | -113.6 | 179.3 | -164.4 | 43.4 | -36.5 | 0 | 0 | 0 | 116.7 | ||||
| 644 | A | 28.4 | Very low | 37.9 | Very low | 96 Ų | 96 | 119 Ų | 119 | 79% | 0.793 | 69% | 0.685 | S | S | * | * | trans | 87.6 | 69.5 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 645 | S | 30.5 | Very low | 40.4 | Very low | 120 Ų | 120 | 111.5 Ų | 111.5 | 84% | 0.839 | 65% | 0.653 | S | S | * | * | trans | -170.4 | 62.8 | 140 | 44.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 646 | S | 29 | Very low | 42.9 | Very low | 117 Ų | 117 | 110.1 Ų | 110.1 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | trans | -147.8 | 71.6 | -175.7 | -47.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 647 | I | 33.2 | Very low | 45.3 | Very low | 136 Ų | 136 | 107.2 Ų | 107.2 | 70% | 0.697 | 63% | 0.626 | S | S | * | * | trans | -139.7 | 79.1 | 167.8 | -50 | 177.5 | 0 | 0 | 0 | 109 | ||||
| 648 | L | 36.1 | Very low | 47.8 | Very low | 156 Ų | 156 | 103.7 Ų | 103.7 | 82% | 0.817 | 60% | 0.602 | S | S | * | * | trans | -137.6 | 100.6 | 153.4 | -64.2 | 176.5 | 0 | 0 | 0 | 105.7 | E652 | L648-E652 WeakPolarHBondContact CA-OE2 3.47Å; L648-E652 WeakPolarHBondContact CB-OE2 3.47Å; L648-E652 WeakPolarHBondContact CD2-OE2 3.32Å | ||
| 649 | S | 34.9 | Very low | 50.4 | Low | 79 Ų | 79 | 97.4 Ų | 97.4 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | trans | -112.2 | 159 | -179 | 61.2 | 0 | 0 | 0 | 0 | 111 | A651 E652 | S649-A651 PolarHBondContact O-N 2.58Å; S649-E652 PolarHBondContact O-N 3.05Å; S649-E652 VanDerWaalsContact O-N 3.09Å | ||
| 650 | E | 40.4 | Very low | 53.1 | Low | 181 Ų | 181 | 94.1 Ų | 94.1 | 85% | 0.846 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -59.5 | -10.6 | -159.3 | -60.3 | 167.5 | 132.9 | 0 | 0 | 115.8 | E652 T653 | E650-E652 PolarHBondContact O-N 2.81Å; E650-T653 WeakPolarHBondContact O-CG2 3.38Å; E650-T653 PolarHBondContact O-OG1 2.85Å |
| 651 | A | 39.3 | Very low | 56 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 60% | 0.603 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -68.9 | -11.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S649 T653 T657 | S649-A651 PolarHBondContact O-N 2.58Å; A651-T653 PolarHBondContact O-N 3.37Å; A651-T657 PolarHBondContact O-OG1 2.97Å |
| 652 | E | 51.2 | Low | 58.6 | Low | 45 Ų | 45 | 88.9 Ų | 88.9 | 21% | 0.21 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -83.1 | 11.6 | -178.9 | -66.9 | 171 | 167 | 0 | 0 | 113.4 | L648 S649 E650 N654 R661 | L648-E652 WeakPolarHBondContact CA-OE2 3.47Å; L648-E652 WeakPolarHBondContact CB-OE2 3.47Å; L648-E652 WeakPolarHBondContact CD2-OE2 3.32Å; S649-E652 PolarHBondContact O-N 3.05Å; S649-E652 VanDerWaalsContact O-N 3.09Å; E650-E652 PolarHBondContact O-N 2.81Å; E652-N654 VanDerWaalsContact C-N 3.35Å; E652-N654 PolarHBondContact O-N 3.33Å; E652-R661 IonicContact OE1-CZ 2.9Å; E652-R661 IonicContact OE1-NH1 3.51Å; E652-R661 PolarHBondContact OE1-NH1 3.19Å; E652-R661 IonicContact OE1-NH2 2.97Å |
| 653 | T | 58.2 | Low | 61.4 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -79.1 | -9 | -177.4 | 44.8 | 0 | 0 | 0 | 0 | 114.9 | E650 A651 R1097 | E650-T653 WeakPolarHBondContact O-CG2 3.38Å; E650-T653 PolarHBondContact O-OG1 2.85Å; A651-T653 PolarHBondContact O-N 3.37Å; T653-R1097 VanDerWaalsContact C-NH1 3.35Å; T653-R1097 VanDerWaalsContact O-CZ 3.25Å; T653-R1097 PolarHBondContact O-NH1 3.02Å; T653-R1097 PolarHBondContact O-NH2 3.13Å |
| 654 | N | 78.1 | Confident | 64.1 | Low | 84 Ų | 84 | 80.8 Ų | 80.8 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | trans | -116 | 137 | -178.4 | -173.8 | -19.6 | 0 | 0 | 0 | 111.6 | E652 E656 T657 F658 | E652-N654 VanDerWaalsContact C-N 3.35Å; E652-N654 PolarHBondContact O-N 3.33Å; N654-E656 VanDerWaalsContact C-N 3.35Å; N654-E656 PolarHBondContact OD1-N 2.85Å; N654-T657 HydrophobicContact CB-CG2 4.03Å; N654-T657 PolarHBondContact O-OG1 3.34Å; N654-F658 PolarHBondContact O-N 3.03Å | ||
| 655 | V | 86 | Confident | 67.1 | Low | 16 Ų | 16 | 80.4 Ų | 80.4 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 111 | F658 W659 K1090 E1094 | V655-F658 PolarHBondContact O-N 3.41Å; V655-W659 WeakPolarHBondContact O-CB 3.35Å; V655-W659 PolarHBondContact O-N 2.76Å; V655-K1090 HydrophobicContact CG1-CB 4.11Å; V655-K1090 HydrophobicContact CG1-CG 4.2Å; V655-E1094 HydrophobicContact CG2-CG 3.44Å; V655-E1094 VanDerWaalsContact CG2-CG 3.44Å |
| 656 | E | 87.8 | Confident | 69.9 | Low | 88 Ų | 88 | 75.1 Ų | 75.1 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -76.3 | -29.5 | -175.1 | -161.9 | 59.1 | -143.4 | 0 | 0 | 111.8 | N654 F658 W659 Q660 K1090 | N654-E656 VanDerWaalsContact C-N 3.35Å; N654-E656 PolarHBondContact OD1-N 2.85Å; E656-F658 VanDerWaalsContact C-N 3.34Å; E656-W659 PolarHBondContact O-N 2.94Å; E656-W659 VanDerWaalsContact OE1-CD1 3.23Å; E656-Q660 VanDerWaalsContact O-CB 3.29Å; E656-Q660 WeakPolarHBondContact O-CB 3.35Å; E656-Q660 PolarHBondContact O-N 2.98Å; E656-K1090 IonicContact OE1-NZ 3.74Å; E656-K1090 PolarHBondContact OE1-NZ 3.07Å; E656-K1090 IonicContact OE2-NZ 3.22Å; E656-K1090 PolarHBondContact OE2-NZ 2.75Å |
| 657 | T | 85.4 | Confident | 72.7 | Confident | 68 Ų | 68 | 74.9 Ų | 74.9 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.7 | -34.2 | 171.1 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | A651 N654 R661 | A651-T657 PolarHBondContact O-OG1 2.97Å; N654-T657 HydrophobicContact CB-CG2 4.03Å; N654-T657 PolarHBondContact O-OG1 3.34Å; T657-R661 WeakPolarHBondContact O-CB 3.44Å; T657-R661 PolarHBondContact O-N 2.97Å; T657-R661 VanDerWaalsContact O-N 3.1Å |
| 658 | F | 88 | Confident | 75.1 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.3 | -45.1 | 172 | -171.1 | -101.7 | 0 | 0 | 0 | 112 | N654 V655 E656 Q660 R661 C662 W1093 T1117 M1120 | N654-F658 PolarHBondContact O-N 3.03Å; V655-F658 PolarHBondContact O-N 3.41Å; E656-F658 VanDerWaalsContact C-N 3.34Å; F658-Q660 PolarHBondContact O-N 3.31Å; F658-R661 WeakPolarHBondContact O-CB 3.4Å; F658-R661 PolarHBondContact O-N 3.08Å; F658-R661 VanDerWaalsContact O-N 3.14Å; F658-C662 PolarHBondContact O-N 2.7Å; F658-C662 PolarHBondContact O-SG 3.47Å; F658-W1093 AromaticContact CD1-CD2 3.98Å; F658-W1093 HydrophobicContact CD1-CD2 3.98Å; F658-W1093 AromaticContact CD1-CE2 3.5Å; F658-W1093 HydrophobicContact CD1-CG 4.44Å; F658-W1093 HydrophobicContact CD1-CH2 4.25Å; F658-W1093 AromaticContact CD1-CZ2 3.67Å; F658-W1093 HydrophobicContact CD1-CZ2 3.67Å; F658-W1093 AromaticContact CD1-NE1 3.66Å; F658-W1093 HydrophobicContact CD2-CH2 4.46Å; F658-W1093 AromaticContact CD2-CZ2 3.78Å; F658-W1093 HydrophobicContact CD2-CZ2 3.78Å; F658-W1093 AromaticContact CE1-CD2 3.96Å; F658-W1093 HydrophobicContact CE1-CD2 3.96Å; F658-W1093 AromaticContact CE1-CE2 3.66Å; F658-W1093 HydrophobicContact CE1-CE3 4.03Å; F658-W1093 AromaticContact CE1-CH2 3.59Å; F658-W1093 HydrophobicContact CE1-CH2 3.59Å; F658-W1093 AromaticContact CE1-CZ2 3.49Å; F658-W1093 HydrophobicContact CE1-CZ2 3.49Å; F658-W1093 VanDerWaalsContact CE1-CZ2 3.49Å; F658-W1093 AromaticContact CE1-CZ3 3.86Å; F658-W1093 HydrophobicContact CE1-CZ3 3.86Å; F658-W1093 AromaticContact CE2-CH2 3.84Å; F658-W1093 HydrophobicContact CE2-CH2 3.84Å; F658-W1093 AromaticContact CE2-CZ2 3.61Å; F658-W1093 HydrophobicContact CE2-CZ2 3.61Å; F658-W1093 AromaticContact CG-CE2 3.84Å; F658-W1093 AromaticContact CG-CZ2 3.81Å; F658-W1093 HydrophobicContact CG-CZ2 3.81Å; F658-W1093 AromaticContact CG-NE1 3.78Å; F658-W1093 AromaticContact CZ-CH2 3.36Å; F658-W1093 HydrophobicContact CZ-CH2 3.36Å; F658-W1093 AromaticContact CZ-CZ2 3.46Å; F658-W1093 HydrophobicContact CZ-CZ2 3.46Å; F658-W1093 VanDerWaalsContact CZ-CZ2 3.46Å; F658-W1093 AromaticContact CZ-CZ3 3.96Å; F658-W1093 HydrophobicContact CZ-CZ3 3.96Å; F658-T1117 HydrophobicContact CZ-CG2 4.06Å; F658-M1120 HydrophobicContact CD1-CE 3.75Å; F658-M1120 HydrophobicContact CD1-SD 3.93Å; F658-M1120 HydrophobicContact CE1-CE 4.2Å; F658-M1120 HydrophobicContact CE1-SD 3.76Å |
| 659 | W | 89.8 | Confident | 77.4 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 174 | -176.7 | -104.2 | 0 | 0 | 0 | 111.9 | V655 E656 R661 C662 L663 E1086 K1090 M1120 V1123 I1124 | V655-W659 WeakPolarHBondContact O-CB 3.35Å; V655-W659 PolarHBondContact O-N 2.76Å; E656-W659 PolarHBondContact O-N 2.94Å; E656-W659 VanDerWaalsContact OE1-CD1 3.23Å; W659-R661 VanDerWaalsContact C-N 3.31Å; W659-R661 PolarHBondContact O-N 2.72Å; W659-C662 WeakPolarHBondContact O-CB 3.29Å; W659-C662 PolarHBondContact O-N 3.19Å; W659-L663 VanDerWaalsContact O-CB 3.28Å; W659-L663 WeakPolarHBondContact O-CB 3.24Å; W659-L663 PolarHBondContact O-N 3.37Å; W659-E1086 HydrophobicContact CH2-CB 4.02Å; W659-E1086 HydrophobicContact CH2-CG 3.61Å; W659-E1086 HydrophobicContact CZ2-CB 4.39Å; W659-E1086 VanDerWaalsContact CZ2-CD 3.46Å; W659-E1086 HydrophobicContact CZ2-CG 3.69Å; W659-E1086 WeakPolarHBondContact CZ2-OE1 3.34Å; W659-E1086 HydrophobicContact CZ3-CG 4.35Å; W659-K1090 VanDerWaalsContact CE2-CE 3.45Å; W659-K1090 HydrophobicContact CE3-CG 4.1Å; W659-K1090 VanDerWaalsContact CG-CE 3.41Å; W659-K1090 HydrophobicContact CZ3-CG 4.35Å; W659-M1120 HydrophobicContact CE3-CB 4.36Å; W659-M1120 HydrophobicContact CE3-CE 3.75Å; W659-M1120 HydrophobicContact CE3-CG 4.43Å; W659-M1120 HydrophobicContact CZ3-CB 4.24Å; W659-M1120 HydrophobicContact CZ3-CE 4.43Å; W659-M1120 HydrophobicContact CZ3-CG 4.29Å; W659-V1123 HydrophobicContact CH2-CB 4.43Å; W659-V1123 HydrophobicContact CH2-CG1 3.98Å; W659-I1124 HydrophobicContact CD2-CD1 3.97Å; W659-I1124 HydrophobicContact CD2-CG1 4.22Å; W659-I1124 HydrophobicContact CE3-CD1 4.02Å; W659-I1124 HydrophobicContact CE3-CG1 4.29Å; W659-I1124 HydrophobicContact CH2-CD1 4.28Å; W659-I1124 HydrophobicContact CH2-CG1 3.65Å; W659-I1124 HydrophobicContact CZ2-CD1 4.23Å; W659-I1124 HydrophobicContact CZ2-CG1 3.54Å; W659-I1124 HydrophobicContact CZ3-CD1 4.18Å; W659-I1124 HydrophobicContact CZ3-CG1 4.03Å |
| 660 | Q | 90.5 | Very high | 79.6 | Confident | 82 Ų | 82 | 77.1 Ų | 77.1 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 176 | -178.1 | 59.5 | 37.9 | 0 | 0 | 112.3 | E656 F658 L663 D664 | E656-Q660 VanDerWaalsContact O-CB 3.29Å; E656-Q660 WeakPolarHBondContact O-CB 3.35Å; E656-Q660 PolarHBondContact O-N 2.98Å; F658-Q660 PolarHBondContact O-N 3.31Å; Q660-L663 PolarHBondContact O-N 3.42Å; Q660-D664 VanDerWaalsContact NE2-CG 3.29Å; Q660-D664 PolarHBondContact NE2-OD1 3.21Å; Q660-D664 PolarHBondContact NE2-OD2 3Å; Q660-D664 PolarHBondContact O-N 2.81Å |
| 661 | R | 89 | Confident | 81.9 | Confident | 132 Ų | 132 | 68.9 Ų | 68.9 | 50% | 0.498 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.5 | -174.4 | 177.6 | -179.7 | -176.8 | -3.8 | 112.5 | E652 T657 F658 W659 L663 K665 | E652-R661 IonicContact OE1-CZ 2.9Å; E652-R661 IonicContact OE1-NH1 3.51Å; E652-R661 PolarHBondContact OE1-NH1 3.19Å; E652-R661 IonicContact OE1-NH2 2.97Å; T657-R661 WeakPolarHBondContact O-CB 3.44Å; T657-R661 PolarHBondContact O-N 2.97Å; T657-R661 VanDerWaalsContact O-N 3.1Å; F658-R661 WeakPolarHBondContact O-CB 3.4Å; F658-R661 PolarHBondContact O-N 3.08Å; F658-R661 VanDerWaalsContact O-N 3.14Å; W659-R661 VanDerWaalsContact C-N 3.31Å; W659-R661 PolarHBondContact O-N 2.72Å; R661-L663 VanDerWaalsContact C-N 3.34Å; R661-K665 WeakPolarHBondContact O-CB 3.4Å; R661-K665 PolarHBondContact O-N 3.48Å |
| 662 | C | 91.2 | Very high | 84 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 170.1 | -69 | 0 | 0 | 0 | 0 | 110.8 | F658 W659 K665 V666 E1121 I1124 | F658-C662 PolarHBondContact O-N 2.7Å; F658-C662 PolarHBondContact O-SG 3.47Å; W659-C662 WeakPolarHBondContact O-CB 3.29Å; W659-C662 PolarHBondContact O-N 3.19Å; C662-K665 WeakPolarHBondContact O-CB 3.37Å; C662-K665 PolarHBondContact O-N 3.45Å; C662-K665 VanDerWaalsContact O-N 3.14Å; C662-V666 VanDerWaalsContact O-CG2 3.3Å; C662-V666 WeakPolarHBondContact O-CG2 3.45Å; C662-V666 PolarHBondContact O-N 3.03Å; C662-E1121 HydrophobicContact CB-CG 3.95Å; C662-I1124 HydrophobicContact CB-CD1 3.67Å |
| 663 | L | 91.2 | Very high | 85.7 | Confident | 34 Ų | 34 | 70.7 Ų | 70.7 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | -177.5 | 177.8 | 143 | 0 | 0 | 0 | 112.8 | W659 Q660 R661 K665 V666 K667 I1124 | W659-L663 VanDerWaalsContact O-CB 3.28Å; W659-L663 WeakPolarHBondContact O-CB 3.24Å; W659-L663 PolarHBondContact O-N 3.37Å; Q660-L663 PolarHBondContact O-N 3.42Å; R661-L663 VanDerWaalsContact C-N 3.34Å; L663-K665 VanDerWaalsContact C-N 3.28Å; L663-K665 PolarHBondContact O-N 2.81Å; L663-V666 PolarHBondContact O-N 3.26Å; L663-K667 HydrophobicContact CD2-CD 4.27Å; L663-K667 WeakPolarHBondContact O-CG 3.47Å; L663-K667 PolarHBondContact O-N 3.34Å; L663-I1124 HydrophobicContact CB-CD1 3.94Å; L663-I1124 HydrophobicContact CB-CG2 4.05Å; L663-I1124 HydrophobicContact CD1-CG2 4.05Å; L663-I1124 HydrophobicContact CG-CG2 4Å |
| 664 | D | 89 | Confident | 86.9 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -74.3 | -16.4 | 173.9 | -69.4 | -31 | 0 | 0 | 0 | 113.8 | Q660 K667 R668 | Q660-D664 VanDerWaalsContact NE2-CG 3.29Å; Q660-D664 PolarHBondContact NE2-OD1 3.21Å; Q660-D664 PolarHBondContact NE2-OD2 3Å; Q660-D664 PolarHBondContact O-N 2.81Å; D664-K667 IonicContact OD1-NZ 3.75Å; D664-K667 PolarHBondContact OD1-NZ 3.05Å; D664-R668 WeakPolarHBondContact O-CD 3.49Å; D664-R668 WeakPolarHBondContact O-CG 3.29Å |
| 665 | K | 89.8 | Confident | 87.3 | Confident | 88 Ų | 88 | 74.1 Ų | 74.1 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -79.4 | -40.4 | 169.3 | 179.4 | 179.5 | 172.5 | -168.4 | 0 | 111.6 | R661 C662 L663 R669 E1121 | R661-K665 WeakPolarHBondContact O-CB 3.4Å; R661-K665 PolarHBondContact O-N 3.48Å; C662-K665 WeakPolarHBondContact O-CB 3.37Å; C662-K665 PolarHBondContact O-N 3.45Å; C662-K665 VanDerWaalsContact O-N 3.14Å; L663-K665 VanDerWaalsContact C-N 3.28Å; L663-K665 PolarHBondContact O-N 2.81Å; K665-R669 VanDerWaalsContact CE-NH2 3.34Å; K665-E1121 WeakPolarHBondContact CD-OE1 3.47Å; K665-E1121 VanDerWaalsContact CE-OE1 3.23Å; K665-E1121 WeakPolarHBondContact CE-OE1 3.42Å; K665-E1121 WeakPolarHBondContact CE-OE2 3.43Å; K665-E1121 IonicContact NZ-OE1 3.86Å; K665-E1121 PolarHBondContact NZ-OE1 3.19Å; K665-E1121 IonicContact NZ-OE2 2.66Å; K665-E1121 PolarHBondContact NZ-OE2 2.83Å |
| 666 | V | 89.7 | Confident | 87.4 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -45 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | C662 L663 R668 R669 E1121 I1124 C1125 M1128 | C662-V666 VanDerWaalsContact O-CG2 3.3Å; C662-V666 WeakPolarHBondContact O-CG2 3.45Å; C662-V666 PolarHBondContact O-N 3.03Å; L663-V666 PolarHBondContact O-N 3.26Å; V666-R668 PolarHBondContact O-N 2.71Å; V666-R669 PolarHBondContact O-N 3.03Å; V666-E1121 HydrophobicContact CG2-CB 3.76Å; V666-E1121 HydrophobicContact CG2-CG 3.93Å; V666-E1121 VanDerWaalsContact CG2-O 3.23Å; V666-E1121 WeakPolarHBondContact CG2-O 3.22Å; V666-I1124 HydrophobicContact CB-CG2 4.21Å; V666-I1124 HydrophobicContact CG1-CG2 4.18Å; V666-I1124 HydrophobicContact CG2-CB 4.4Å; V666-I1124 HydrophobicContact CG2-CG2 4.47Å; V666-C1125 HydrophobicContact CG1-CB 4.1Å; V666-M1128 HydrophobicContact CG1-SD 4Å |
| 667 | K | 87 | Confident | 87.4 | Confident | 113 Ų | 113 | 73.3 Ų | 73.3 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -24.1 | 176 | -78.4 | 175.2 | -171.4 | 161.3 | 0 | 114.9 | L663 D664 M1128 | L663-K667 HydrophobicContact CD2-CD 4.27Å; L663-K667 WeakPolarHBondContact O-CG 3.47Å; L663-K667 PolarHBondContact O-N 3.34Å; D664-K667 IonicContact OD1-NZ 3.75Å; D664-K667 PolarHBondContact OD1-NZ 3.05Å; K667-M1128 HydrophobicContact CG-CE 4.25Å; K667-M1128 HydrophobicContact CG-SD 4.17Å |
| 668 | R | 84.4 | Confident | 87.6 | Confident | 211 Ų | 211 | 70.1 Ų | 70.1 | 80% | 0.796 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2.5 | -177 | -65.3 | 175.1 | -176.6 | 152.6 | 4.3 | 113.6 | D664 V666 | D664-R668 WeakPolarHBondContact O-CD 3.49Å; D664-R668 WeakPolarHBondContact O-CG 3.29Å; V666-R668 PolarHBondContact O-N 2.71Å |
| 669 | R | 83.9 | Confident | 87.6 | Confident | 131 Ų | 131 | 72 Ų | 72 | 49% | 0.494 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -111.2 | 156.8 | 179.9 | -75.1 | 174.4 | 167 | 174.6 | -1.2 | 111 | K665 V666 E1121 | K665-R669 VanDerWaalsContact CE-NH2 3.34Å; V666-R669 PolarHBondContact O-N 3.03Å; R669-E1121 IonicContact CZ-OE2 2.74Å; R669-E1121 IonicContact NH1-OE2 3.15Å; R669-E1121 PolarHBondContact NH1-OE2 3.23Å; R669-E1121 IonicContact NH2-OE2 2.73Å |
| 670 | P | 82.7 | Confident | 87.3 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 49% | 0.494 | 34% | 0.341 | S | S | . | . | trans | -59.2 | 139.8 | 164.8 | 26.8 | -34.4 | 0 | 0 | 0 | 110.1 | R672 T679 | P670-R672 HydrophobicContact CB-CG 4.46Å; P670-R672 PolarHBondContact O-N 3.42Å; P670-T679 HydrophobicContact CB-CG2 3.69Å; P670-T679 WeakPolarHBondContact CB-OG1 3.19Å | ||
| 671 | L | 86.9 | Confident | 86.9 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | trans | -72.7 | 90.9 | 176.6 | -67.6 | 177.8 | 0 | 0 | 0 | 109.4 | F678 T679 L681 M1128 V1129 | L671-F678 HydrophobicContact CB-CB 3.98Å; L671-F678 CarbonylContact O-C 2.93Å; L671-F678 VanDerWaalsContact O-C 3.28Å; L671-F678 VanDerWaalsContact O-CA 3.29Å; L671-F678 WeakPolarHBondContact O-CA 3.3Å; L671-F678 WeakPolarHBondContact O-CB 3.12Å; L671-F678 PolarHBondContact O-N 2.89Å; L671-T679 PolarHBondContact O-N 3.32Å; L671-L681 HydrophobicContact CD1-CB 4.21Å; L671-M1128 HydrophobicContact CD1-CB 4.49Å; L671-M1128 HydrophobicContact CD2-CB 3.96Å; L671-M1128 HydrophobicContact CD2-CE 4.25Å; L671-M1128 HydrophobicContact CD2-SD 4.36Å; L671-V1129 HydrophobicContact CB-CG2 4.3Å; L671-V1129 HydrophobicContact CD1-CG2 4.28Å | ||
| 672 | R | 85.3 | Confident | 86.1 | Confident | 153 Ų | 153 | 68.2 Ų | 68.2 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.7 | 177.4 | -72.3 | -178.7 | 167.2 | -176.3 | -8.5 | 110 | P670 L676 D677 | P670-R672 HydrophobicContact CB-CG 4.46Å; P670-R672 PolarHBondContact O-N 3.42Å; R672-L676 WeakPolarHBondContact CA-O 3.26Å; R672-D677 HydrophobicContact CG-CB 4.43Å; R672-D677 IonicContact CZ-OD2 3.96Å; R672-D677 VanDerWaalsContact NE-CG 3.34Å; R672-D677 IonicContact NE-OD1 3.6Å; R672-D677 IonicContact NE-OD2 2.7Å; R672-D677 PolarHBondContact NE-OD2 3.25Å; R672-D677 IonicContact NH2-OD2 2.69Å; R672-D677 PolarHBondContact NH2-OD2 3.48Å |
| 673 | L | 86.1 | Confident | 84.6 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 96.6 | -171.7 | -164.9 | 73.6 | 0 | 0 | 0 | 109.2 | D675 L676 E977 A981 R1122 C1125 L1126 | L673-D675 PolarHBondContact O-N 2.86Å; L673-D675 VanDerWaalsContact O-N 3.14Å; L673-L676 PolarHBondContact N-O 3.36Å; L673-L676 WeakPolarHBondContact O-CB 3.45Å; L673-L676 PolarHBondContact O-N 2.8Å; L673-E977 VanDerWaalsContact CD1-OE1 3.25Å; L673-E977 WeakPolarHBondContact CD1-OE1 3.43Å; L673-E977 VanDerWaalsContact CG-OE1 3.3Å; L673-E977 WeakPolarHBondContact CG-OE1 3.14Å; L673-A981 HydrophobicContact CD2-CB 3.61Å; L673-R1122 HydrophobicContact CD1-CB 3.96Å; L673-R1122 HydrophobicContact CD1-CG 4.15Å; L673-C1125 HydrophobicContact CD1-CB 4.38Å; L673-L1126 HydrophobicContact CD1-CG 4.43Å; L673-L1126 HydrophobicContact CD2-CD1 4.41Å; L673-L1126 HydrophobicContact CD2-CD2 3.42Å; L673-L1126 VanDerWaalsContact CD2-CD2 3.42Å; L673-L1126 HydrophobicContact CD2-CG 3.71Å |
| 674 | K | 84.2 | Confident | 83 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 46% | 0.457 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -114.3 | -163.7 | -83.9 | 145 | -177.7 | 170.8 | 0 | 108.6 | E974 E977 R1122 | K674-E974 IonicContact NZ-OE1 2.73Å; K674-E974 PolarHBondContact NZ-OE1 3.43Å; K674-E977 IonicContact NZ-OE2 2.69Å; K674-E977 PolarHBondContact NZ-OE2 2.98Å; K674-R1122 VanDerWaalsContact CD-NH2 3.27Å |
| 675 | D | 84.6 | Confident | 81.6 | Confident | 148 Ų | 148 | 74.9 Ų | 74.9 | 79% | 0.791 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -7.9 | -178.6 | 51.9 | -54.1 | 0 | 0 | 0 | 113.8 | L673 | L673-D675 PolarHBondContact O-N 2.86Å; L673-D675 VanDerWaalsContact O-N 3.14Å |
| 676 | L | 88.4 | Confident | 79.8 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.2 | 175.6 | -57.3 | 175.2 | 0 | 0 | 0 | 111.1 | R672 L673 F678 A981 N985 | R672-L676 WeakPolarHBondContact CA-O 3.26Å; L673-L676 PolarHBondContact N-O 3.36Å; L673-L676 WeakPolarHBondContact O-CB 3.45Å; L673-L676 PolarHBondContact O-N 2.8Å; L676-F678 HydrophobicContact CB-CD2 4.4Å; L676-F678 HydrophobicContact CB-CE2 3.76Å; L676-F678 HydrophobicContact CB-CZ 4.43Å; L676-F678 HydrophobicContact CD1-CE2 4.43Å; L676-A981 HydrophobicContact CD1-CB 3.81Å; L676-N985 HydrophobicContact CD1-CB 4.28Å; L676-N985 HydrophobicContact CD2-CB 4.08Å |
| 677 | D | 88.1 | Confident | 77.8 | Confident | 55 Ų | 55 | 82.9 Ų | 82.9 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.2 | 179.3 | -161.2 | -18.4 | 0 | 0 | 0 | 111.4 | R672 T679 K988 | R672-D677 HydrophobicContact CG-CB 4.43Å; R672-D677 IonicContact CZ-OD2 3.96Å; R672-D677 VanDerWaalsContact NE-CG 3.34Å; R672-D677 IonicContact NE-OD1 3.6Å; R672-D677 IonicContact NE-OD2 2.7Å; R672-D677 PolarHBondContact NE-OD2 3.25Å; R672-D677 IonicContact NH2-OD2 2.69Å; R672-D677 PolarHBondContact NH2-OD2 3.48Å; D677-T679 WeakPolarHBondContact OD1-CB 3.45Å; D677-T679 PolarHBondContact OD1-N 2.97Å; D677-T679 PolarHBondContact OD1-OG1 3.41Å; D677-K988 PolarHBondContact O-NZ 2.93Å |
| 678 | F | 90.6 | Very high | 75.6 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | trans | -123.3 | 16.9 | 177.1 | -61.4 | -84.8 | 0 | 0 | 0 | 111.9 | L671 L676 D680 L681 L984 N985 K988 V1129 | L671-F678 HydrophobicContact CB-CB 3.98Å; L671-F678 CarbonylContact O-C 2.93Å; L671-F678 VanDerWaalsContact O-C 3.28Å; L671-F678 VanDerWaalsContact O-CA 3.29Å; L671-F678 WeakPolarHBondContact O-CA 3.3Å; L671-F678 WeakPolarHBondContact O-CB 3.12Å; L671-F678 PolarHBondContact O-N 2.89Å; L676-F678 HydrophobicContact CB-CD2 4.4Å; L676-F678 HydrophobicContact CB-CE2 3.76Å; L676-F678 HydrophobicContact CB-CZ 4.43Å; L676-F678 HydrophobicContact CD1-CE2 4.43Å; F678-D680 VanDerWaalsContact C-OD1 3.32Å; F678-D680 PolarHBondContact O-N 2.97Å; F678-L681 HydrophobicContact CB-CD1 3.97Å; F678-L681 HydrophobicContact CB-CG 4.45Å; F678-L681 HydrophobicContact CD1-CD1 4.08Å; F678-L681 HydrophobicContact CG-CD1 4.44Å; F678-L681 WeakPolarHBondContact O-CB 3.42Å; F678-L681 PolarHBondContact O-N 2.71Å; F678-L984 HydrophobicContact CE1-CB 4.32Å; F678-L984 HydrophobicContact CZ-CB 4.23Å; F678-N985 HydrophobicContact CE1-CB 4.2Å; F678-N985 HydrophobicContact CZ-CB 3.84Å; F678-K988 HydrophobicContact CD1-CD 3.99Å; F678-K988 HydrophobicContact CE1-CD 4.38Å; F678-V1129 HydrophobicContact CB-CG1 4.41Å; F678-V1129 HydrophobicContact CB-CG2 3.78Å; F678-V1129 HydrophobicContact CD1-CG1 3.49Å; F678-V1129 VanDerWaalsContact CD1-CG1 3.49Å; F678-V1129 HydrophobicContact CD1-CG2 4.36Å; F678-V1129 HydrophobicContact CD2-CG1 4.04Å; F678-V1129 HydrophobicContact CD2-CG2 3.86Å; F678-V1129 HydrophobicContact CE1-CG1 3.54Å; F678-V1129 HydrophobicContact CE2-CG1 4.09Å; F678-V1129 HydrophobicContact CE2-CG2 4.5Å; F678-V1129 HydrophobicContact CG-CB 4.46Å; F678-V1129 HydrophobicContact CG-CG1 3.74Å; F678-V1129 HydrophobicContact CG-CG2 3.77Å; F678-V1129 HydrophobicContact CZ-CG1 3.84Å | ||
| 679 | T | 86.8 | Confident | 73.3 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.1 | -175.3 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | P670 L671 D677 | P670-T679 HydrophobicContact CB-CG2 3.69Å; P670-T679 WeakPolarHBondContact CB-OG1 3.19Å; L671-T679 PolarHBondContact O-N 3.32Å; D677-T679 WeakPolarHBondContact OD1-CB 3.45Å; D677-T679 PolarHBondContact OD1-N 2.97Å; D677-T679 PolarHBondContact OD1-OG1 3.41Å |
| 680 | D | 84.2 | Confident | 70.9 | Confident | 62 Ų | 62 | 79.9 Ų | 79.9 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.6 | 174.3 | 64 | -56 | 0 | 0 | 0 | 114.5 | F678 E682 K988 R1136 | F678-D680 VanDerWaalsContact C-OD1 3.32Å; F678-D680 PolarHBondContact O-N 2.97Å; D680-E682 PolarHBondContact O-N 3.47Å; D680-K988 VanDerWaalsContact CG-NZ 3.35Å; D680-K988 WeakPolarHBondContact OD1-CE 3.4Å; D680-K988 IonicContact OD1-NZ 2.77Å; D680-K988 PolarHBondContact OD1-NZ 2.77Å; D680-K988 WeakPolarHBondContact OD2-CE 3.48Å; D680-K988 IonicContact OD2-NZ 2.88Å; D680-K988 PolarHBondContact OD2-NZ 3.45Å; D680-R1136 PolarHBondContact O-NH2 3.01Å; D680-R1136 IonicContact OD2-CZ 2.74Å; D680-R1136 IonicContact OD2-NH1 3.96Å; D680-R1136 PolarHBondContact OD2-NH1 2.78Å |
| 681 | L | 82.6 | Confident | 68.5 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.016 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -75.4 | 103.2 | 172.5 | -68.3 | 176.7 | 0 | 0 | 0 | 110 | L671 F678 E685 V1129 R1132 M1133 R1136 | L671-L681 HydrophobicContact CD1-CB 4.21Å; F678-L681 HydrophobicContact CB-CD1 3.97Å; F678-L681 HydrophobicContact CB-CG 4.45Å; F678-L681 HydrophobicContact CD1-CD1 4.08Å; F678-L681 HydrophobicContact CG-CD1 4.44Å; F678-L681 WeakPolarHBondContact O-CB 3.42Å; F678-L681 PolarHBondContact O-N 2.71Å; L681-E685 WeakPolarHBondContact CA-OE2 3.31Å; L681-V1129 HydrophobicContact CD1-CB 4.36Å; L681-V1129 HydrophobicContact CD1-CG1 4Å; L681-V1129 HydrophobicContact CD1-CG2 4.39Å; L681-R1132 HydrophobicContact CB-CB 3.89Å; L681-R1132 HydrophobicContact CD1-CB 4Å; L681-R1132 HydrophobicContact CD2-CB 4.17Å; L681-R1132 HydrophobicContact CG-CB 4.25Å; L681-R1132 PolarHBondContact O-NH1 3.32Å; L681-M1133 HydrophobicContact CD1-CB 4.45Å; L681-M1133 HydrophobicContact CD2-SD 4.04Å; L681-R1136 HydrophobicContact CD2-CB 4.36Å |
| 682 | E | 70.8 | Confident | 65.9 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | trans | -72.4 | 151.4 | -172.5 | -69.9 | 176.2 | 147.7 | 0 | 0 | 111.9 | D680 E684 E685 K826 R1132 | D680-E682 PolarHBondContact O-N 3.47Å; E682-E684 PolarHBondContact O-N 2.97Å; E682-E685 HydrophobicContact CB-CG 4.3Å; E682-E685 PolarHBondContact N-OE2 3.15Å; E682-E685 WeakPolarHBondContact O-CB 3.45Å; E682-E685 PolarHBondContact O-N 3.25Å; E682-E685 VanDerWaalsContact O-N 3.16Å; E682-K826 IonicContact OE2-NZ 3.42Å; E682-K826 PolarHBondContact OE2-NZ 2.94Å; E682-R1132 WeakPolarHBondContact O-CD 3.41Å; E682-R1132 PolarHBondContact O-NE 3.5Å | ||
| 683 | A | 61.5 | Low | 63.6 | Low | 70 Ų | 70 | 89.4 Ų | 89.4 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E685 Q686 | A683-E685 VanDerWaalsContact C-N 3.26Å; A683-E685 PolarHBondContact O-N 3Å; A683-Q686 VanDerWaalsContact O-CB 3.24Å; A683-Q686 WeakPolarHBondContact O-CB 3.49Å |
| 684 | E | 57 | Low | 60.9 | Low | 157 Ų | 157 | 101.3 Ų | 101.3 | 73% | 0.734 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.7 | 174.5 | -62 | 179.7 | -179.7 | 0 | 0 | 112.5 | E682 Q686 | E682-E684 PolarHBondContact O-N 2.97Å; E684-Q686 PolarHBondContact O-N 2.9Å |
| 685 | E | 59.4 | Low | 58.6 | Low | 3 Ų | 3 | 102 Ų | 102 | 1% | 0.014 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 33.5 | 173.6 | -57.8 | 175.6 | 143 | 0 | 0 | 111.5 | L681 E682 A683 R1132 A1135 R1136 | L681-E685 WeakPolarHBondContact CA-OE2 3.31Å; E682-E685 HydrophobicContact CB-CG 4.3Å; E682-E685 PolarHBondContact N-OE2 3.15Å; E682-E685 WeakPolarHBondContact O-CB 3.45Å; E682-E685 PolarHBondContact O-N 3.25Å; E682-E685 VanDerWaalsContact O-N 3.16Å; A683-E685 VanDerWaalsContact C-N 3.26Å; A683-E685 PolarHBondContact O-N 3Å; E685-R1132 HydrophobicContact CB-CB 4.49Å; E685-R1132 HydrophobicContact CB-CG 4.46Å; E685-A1135 HydrophobicContact CB-CB 4.32Å; E685-A1135 WeakPolarHBondContact O-CB 3.31Å; E685-R1136 VanDerWaalsContact CD-NH2 3.31Å; E685-R1136 IonicContact OE1-CZ 2.68Å; E685-R1136 VanDerWaalsContact OE1-CZ 3.3Å; E685-R1136 IonicContact OE1-NE 3.83Å; E685-R1136 PolarHBondContact OE1-NE 3.34Å; E685-R1136 IonicContact OE1-NH2 3.86Å; E685-R1136 PolarHBondContact OE1-NH2 3.46Å; E685-R1136 IonicContact OE2-CZ 2.67Å; E685-R1136 IonicContact OE2-NE 3.87Å; E685-R1136 IonicContact OE2-NH2 2.67Å; E685-R1136 PolarHBondContact OE2-NH2 3.02Å |
| 686 | Q | 52.6 | Low | 56.2 | Low | 83 Ų | 83 | 103.1 Ų | 103.1 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.5 | -1.5 | -169 | -155.3 | 163.2 | -11.7 | 0 | 0 | 114.4 | A683 E684 | A683-Q686 VanDerWaalsContact O-CB 3.24Å; A683-Q686 WeakPolarHBondContact O-CB 3.49Å; E684-Q686 PolarHBondContact O-N 2.9Å |
| 687 | E | 46.6 | Very low | 53.8 | Low | 180 Ų | 180 | 104.9 Ų | 104.9 | 84% | 0.841 | 58% | 0.581 | S | S | * | * | trans | -89.5 | 101.7 | 172.2 | -75 | -156.8 | 127.5 | 0 | 0 | 112.5 | ||||
| 688 | D | 40.1 | Very low | 51.5 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 61% | 0.61 | 61% | 0.61 | S | S | * | * | trans | -99.1 | 113.8 | 156.9 | -78.9 | -51.1 | 0 | 0 | 0 | 110.1 | R1138 | D688-R1138 IonicContact OD1-CZ 2.68Å; D688-R1138 VanDerWaalsContact OD1-CZ 3.25Å; D688-R1138 IonicContact OD1-NH1 2.96Å; D688-R1138 PolarHBondContact OD1-NH1 3.39Å; D688-R1138 IonicContact OD1-NH2 2.86Å; D688-R1138 PolarHBondContact OD1-NH2 2.97Å; D688-R1138 IonicContact OD2-CZ 3.6Å; D688-R1138 IonicContact OD2-NH1 2.7Å; D688-R1138 IonicContact OD2-NH2 3.48Å; D688-R1138 PolarHBondContact OD2-NH2 3.39Å | ||
| 689 | G | 36.3 | Very low | 48.7 | Very low | 75 Ų | 75 | 112.5 Ų | 112.5 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | trans | 95 | 75 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 690 | K | 35.1 | Very low | 46.6 | Very low | 204 Ų | 204 | 117 Ų | 117 | 89% | 0.887 | 67% | 0.667 | S | S | * | * | trans | -149 | 112.1 | 145.2 | -115.2 | 170.8 | -171.5 | 173.8 | 0 | 111.7 | ||||
| 691 | E | 32 | Very low | 44.6 | Very low | 201 Ų | 201 | 119.8 Ų | 119.8 | 94% | 0.939 | 69% | 0.688 | S | S | * | * | trans | -78.9 | 140 | 173.9 | -61.2 | -179.1 | 129.7 | 0 | 0 | 110.7 | ||||
| 692 | S | 31.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -155.3 | 122.7 | 157.6 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 693 | P | 38 | Very low | 41.7 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -77.4 | 147.4 | -173.4 | 30.5 | -34.4 | 0 | 0 | 0 | 112.5 | ||||
| 694 | R | 29.4 | Very low | 41 | Very low | 253 Ų | 253 | 129.5 Ų | 129.5 | 96% | 0.955 | 75% | 0.752 | S | S | * | * | trans | -72.4 | 134.2 | 175.6 | -66.6 | 177.5 | 176.2 | 175 | -2.2 | 111.1 | ||||
| 695 | S | 35.7 | Very low | 40.3 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -132 | 146 | 157.9 | -171 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 696 | L | 33.8 | Very low | 39.6 | Very low | 171 Ų | 171 | 133 Ų | 133 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -106.4 | 145.5 | 176.6 | -62.4 | 105.7 | 0 | 0 | 0 | 109.9 | ||||
| 697 | G | 37.9 | Very low | 39.2 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 140.4 | 138.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 698 | P | 39.1 | Very low | 39.1 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 143 | -176.1 | 35.2 | -33.5 | 0 | 0 | 0 | 112.6 | ||||
| 699 | G | 32.8 | Very low | 39 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -163.1 | 139.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 700 | L | 41.2 | Very low | 39.2 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 153.8 | 167.5 | -69.7 | 106.4 | 0 | 0 | 0 | 110.3 | ||
| 701 | P | 43.2 | Very low | 39.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 133 | 171.4 | 28.8 | -34.2 | 0 | 0 | 0 | 111 | ||
| 702 | P | 46.8 | Very low | 40.2 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 150.5 | 169.5 | 31.8 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 703 | P | 45 | Very low | 41.1 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 152.1 | 178.1 | 32.9 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 704 | P | 47.5 | Very low | 41.8 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74 | 154.3 | 169.5 | 33.9 | -35.9 | 0 | 0 | 0 | 110.9 | ||
| 705 | P | 43 | Very low | 43.2 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | -144.4 | -153.5 | 60.8 | 43.7 | -23.8 | 0 | 0 | 0 | 111.6 | |||||
| 706 | P | 44.1 | Very low | 44 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | cis | -123.9 | 176.3 | -14.4 | 41 | -25.2 | 0 | 0 | 0 | 114.3 | ||||
| 707 | P | 44.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | trans | -100.2 | 144.1 | -177.7 | 36.6 | -32.1 | 0 | 0 | 0 | 114.5 | ||||
| 708 | F | 44.1 | Very low | 45.8 | Very low | 221 Ų | 221 | 122 Ų | 122 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | -168.8 | 130.4 | 152.5 | -101.2 | -63.2 | 0 | 0 | 0 | 114.2 | ||||
| 709 | G | 38 | Very low | 46.2 | Very low | 82 Ų | 82 | 121.6 Ų | 121.6 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 76.8 | 140 | 141.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 710 | G | 40.2 | Very low | 46.7 | Very low | 86 Ų | 86 | 121.9 Ų | 121.9 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | 120.4 | 107.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 711 | G | 40.8 | Very low | 46.5 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 712 | L | 47 | Very low | 46.5 | Very low | 176 Ų | 176 | 116.6 Ų | 116.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -91.4 | 144.7 | 179.6 | -68 | 166.4 | 0 | 0 | 0 | 113.5 | ||||
| 713 | P | 51.3 | Low | 46 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | trans | -112.4 | 173.9 | 156 | -1.7 | 24.3 | 0 | 0 | 0 | 114.2 | ||||
| 714 | P | 52.1 | Low | 45.7 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | trans | -121.1 | 178.5 | -150 | 42.8 | -32 | 0 | 0 | 0 | 117.5 | ||||
| 715 | P | 58.3 | Low | 45.4 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -103.6 | 154.7 | -174.6 | 38.7 | -34.4 | 0 | 0 | 0 | 116.6 | ||||
| 716 | P | 53.3 | Low | 46 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | trans | -130 | -171.4 | 175.3 | 49.2 | -35 | 0 | 0 | 0 | 113.3 | ||||
| 717 | P | 49.7 | Very low | 46.3 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | -131.3 | -174.8 | -126 | 29.5 | -2.4 | 0 | 0 | 0 | 117.1 | |||||
| 718 | P | 58.7 | Low | 46.5 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -109.5 | 146.2 | -175 | 38.5 | -31.9 | 0 | 0 | 0 | 117.4 | ||||
| 719 | P | 48.9 | Very low | 46.9 | Very low | 130 Ų | 130 | 112 Ų | 112 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | trans | -93.1 | -176.2 | 148.3 | 37.9 | -31.1 | 0 | 0 | 0 | 110.6 | ||||
| 720 | G | 42.4 | Very low | 47.5 | Very low | 80 Ų | 80 | 114 Ų | 114 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | cis | 178.1 | -165.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 721 | G | 37.9 | Very low | 47.9 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 92% | 0.918 | 82% | 0.821 | S | S | * | * | trans | -173.7 | 166 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 722 | G | 42.3 | Very low | 48.5 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 170.1 | 159.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 723 | G | 37.1 | Very low | 48.3 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -156.6 | 169.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 724 | G | 39.1 | Very low | 47.9 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -176.2 | 165.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 725 | L | 40.1 | Very low | 47.2 | Very low | 175 Ų | 175 | 115 Ų | 115 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | trans | -126.7 | -155.3 | -175.1 | -61.3 | 169.4 | 0 | 0 | 0 | 111.9 | ||||
| 726 | P | 55.8 | Low | 46.3 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | -128.5 | -179.8 | -114.8 | 39.1 | -18.4 | 0 | 0 | 0 | 116.2 | |||||
| 727 | P | 49.2 | Very low | 45.5 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | trans | -142.8 | 169.6 | 145.6 | 28.4 | -7.8 | 0 | 0 | 0 | 116.4 | ||||
| 728 | P | 51.1 | Low | 44.7 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | trans | -111.4 | 176.5 | -170 | 42.1 | -35.1 | 0 | 0 | 0 | 117.1 | ||||
| 729 | P | 52.4 | Low | 44 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | trans | -115.7 | 170.2 | -170.9 | 42.2 | -33.8 | 0 | 0 | 0 | 117.9 | ||||
| 730 | P | 50 | Low | 43.7 | Very low | 124 Ų | 124 | 115 Ų | 115 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -110.6 | 175.8 | 177.6 | 41.2 | -33.4 | 0 | 0 | 0 | 116.7 | ||||
| 731 | P | 48.1 | Very low | 43.7 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -115.4 | 178.9 | -160.2 | 43.1 | -34.9 | 0 | 0 | 0 | 118.5 | ||||
| 732 | P | 54 | Low | 43.9 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -118.3 | 174.1 | -169.6 | 43.1 | -33.6 | 0 | 0 | 0 | 117.8 | ||||
| 733 | P | 43.4 | Very low | 44.3 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -115.8 | -171.7 | 171.2 | 41.4 | -30.8 | 0 | 0 | 0 | 115.4 | ||||
| 734 | T | 41.8 | Very low | 44.7 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -135.4 | 155.4 | -152.4 | 53.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 735 | A | 38.4 | Very low | 44.6 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 88.2 | 159.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 736 | L | 38.4 | Very low | 44.8 | Very low | 177 Ų | 177 | 120 Ų | 120 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | 100.9 | 162.1 | 164.8 | -73.7 | 170.9 | 0 | 0 | 0 | 121.1 | ||||
| 737 | V | 37.2 | Very low | 43.9 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -110.8 | 142.6 | -150.5 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 738 | G | 31.5 | Very low | 43.2 | Very low | 68 Ų | 68 | 118.2 Ų | 118.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 168.1 | 145.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 739 | A | 45.5 | Very low | 42.3 | Very low | 106 Ų | 106 | 117 Ų | 117 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -98.3 | 129.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 740 | P | 41.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | trans | -142.5 | -158.7 | 154.4 | 36.3 | -15.6 | 0 | 0 | 0 | 111.2 | ||||
| 741 | P | 42 | Very low | 40.6 | Very low | 108 Ų | 108 | 119.1 Ų | 119.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -125.9 | 177.3 | -74.1 | 39.2 | -24.7 | 0 | 0 | 0 | 113.4 | |||||
| 742 | P | 43.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 118.4 Ų | 118.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -65.1 | 168.8 | 168.1 | 25.9 | -34.8 | 0 | 0 | 0 | 114.7 | ||||
| 743 | P | 50.7 | Low | 38.7 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -100.9 | 166.3 | -149.4 | 38.8 | -38.6 | 0 | 0 | 0 | 117.2 | ||||
| 744 | P | 44.3 | Very low | 38 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -105.6 | 153.1 | 167.8 | 38.4 | -31.3 | 0 | 0 | 0 | 114.4 | ||||
| 745 | P | 38.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | trans | -87.4 | 167.1 | 170.5 | 35.8 | -34.7 | 0 | 0 | 0 | 113.5 | ||||
| 746 | A | 44.1 | Very low | 37.2 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -104.8 | 154 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 747 | P | 36.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 116.1 Ų | 116.1 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -137.6 | 146.4 | 158.8 | 37.9 | -22.8 | 0 | 0 | 0 | 116.3 | ||||
| 748 | G | 35.4 | Very low | 36.5 | Very low | 75 Ų | 75 | 116.2 Ų | 116.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 87.5 | 88.9 | 132 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 749 | A | 31.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | 64.9 | 155.1 | 126.4 | 0 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 750 | S | 34.9 | Very low | 35.8 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | 76.8 | 95 | 153.9 | 31.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 751 | E | 30.9 | Very low | 35.5 | Very low | 181 Ų | 181 | 120.1 Ų | 120.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | 61.1 | 114.5 | 121.9 | -63.5 | -175 | 167.3 | 0 | 0 | 125.1 | |||||
| 752 | S | 31.6 | Very low | 35.1 | Very low | 109 Ų | 109 | 118.1 Ų | 118.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 89.8 | 108.7 | 130.8 | 74.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 753 | S | 30.1 | Very low | 34.5 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | 65 | 84.8 | 126.9 | -54.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 754 | A | 30.3 | Very low | 33.9 | Very low | 100 Ų | 100 | 114.7 Ų | 114.7 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | -170.8 | 137.4 | 123 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 755 | I | 33.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 113.9 Ų | 113.9 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -41.1 | 133.2 | 178.9 | -54.6 | 162.7 | 0 | 0 | 0 | 116.2 | ||||
| 756 | P | 29.5 | Very low | 33.4 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -125.3 | 158.2 | 141.1 | 37.7 | -29 | 0 | 0 | 0 | 113.2 | ||||
| 757 | S | 30.1 | Very low | 33.1 | Very low | 97 Ų | 97 | 116.4 Ų | 116.4 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -104 | 168.5 | 174.5 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 758 | N | 30.2 | Very low | 33.4 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 80.3 | 118 | 176.1 | -47.9 | -32.3 | 0 | 0 | 0 | 116.7 | ||||
| 759 | L | 31.2 | Very low | 33.5 | Very low | 171 Ų | 171 | 122 Ų | 122 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | 167 | 144.4 | 143.1 | -96.9 | 164.4 | 0 | 0 | 0 | 110.5 | ||||
| 760 | P | 30.9 | Very low | 34.1 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | cis | -103 | 168.3 | -34.3 | 39 | -29.5 | 0 | 0 | 0 | 111.6 | ||
| 761 | P | 35.4 | Very low | 34.9 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 154.3 | 166.9 | 30.2 | -35.1 | 0 | 0 | 0 | 111.9 | ||
| 762 | A | 34.8 | Very low | 36 | Very low | 66 Ų | 66 | 122.1 Ų | 122.1 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 141.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G764 T765 | A762-G764 PolarHBondContact O-N 3.29Å; A762-T765 PolarHBondContact O-OG1 3.23Å |
| 763 | P | 31 | Very low | 36.7 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 64% | 0.643 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 129.1 | -176.5 | -28.2 | 35.5 | 0 | 0 | 0 | 113.8 | P843 | P763-P843 HydrophobicContact CB-CB 4.11Å; P763-P843 HydrophobicContact CB-CG 4.48Å; P763-P843 HydrophobicContact CG-CB 4.19Å; P763-P843 HydrophobicContact CG-CG 4.01Å |
| 764 | G | 36.9 | Very low | 37.7 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.7 | 3 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | A762 E766 | A762-G764 PolarHBondContact O-N 3.29Å; G764-E766 PolarHBondContact O-N 3.11Å |
| 765 | T | 38.5 | Very low | 38.7 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 61% | 0.613 | 68% | 0.684 | S | S | * | * | trans | -90.7 | 16.2 | -170.7 | 43.9 | 0 | 0 | 0 | 0 | 116.8 | A762 | A762-T765 PolarHBondContact O-OG1 3.23Š| ||
| 766 | E | 33.3 | Very low | 39.4 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | -128.7 | 89.1 | 172.1 | -72.5 | -169.6 | -150.9 | 0 | 0 | 112.7 | G764 | G764-E766 PolarHBondContact O-N 3.11Š| ||
| 767 | L | 38.2 | Very low | 40.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 57% | 0.571 | 67% | 0.673 | S | S | * | * | trans | -132 | 138 | 159.3 | -85.6 | 95.5 | 0 | 0 | 0 | 110.7 | K769 P848 | L767-K769 PolarHBondContact O-N 3.27Å; L767-K769 VanDerWaalsContact O-N 3.1Å; L767-P848 HydrophobicContact CD2-CB 3.67Å; L767-P848 HydrophobicContact CD2-CG 3.8Å | ||
| 768 | P | 42.8 | Very low | 40.9 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | -77 | 96.7 | -178.5 | 31.3 | -34.3 | 0 | 0 | 0 | 111.2 | S770 | P768-S770 PolarHBondContact O-N 3.1Š| ||
| 769 | K | 38.3 | Very low | 41.9 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 84% | 0.839 | 68% | 0.683 | S | S | * | * | trans | -54.1 | 120.1 | -176.4 | -62.9 | 173.9 | -176.7 | 173.7 | 0 | 112.3 | L767 | L767-K769 PolarHBondContact O-N 3.27Å; L767-K769 VanDerWaalsContact O-N 3.1Å | ||
| 770 | S | 43.3 | Very low | 42.7 | Very low | 47 Ų | 47 | 128.2 Ų | 128.2 | 33% | 0.329 | 67% | 0.673 | S | S | . | * | trans | -66.9 | 160.8 | 171.3 | 84 | 0 | 0 | 0 | 0 | 110.7 | P768 K772 E852 | P768-S770 PolarHBondContact O-N 3.1Å; S770-K772 PolarHBondContact O-N 3.43Å; S770-E852 WeakPolarHBondContact CB-OE1 3.31Å; S770-E852 PolarHBondContact N-OE1 3.47Å; S770-E852 VanDerWaalsContact OG-CD 3.25Å; S770-E852 PolarHBondContact OG-OE1 3.02Å; S770-E852 PolarHBondContact OG-OE2 3.36Å | ||
| 771 | K | 53.2 | Low | 43.8 | Very low | 219 Ų | 219 | 131.5 Ų | 131.5 | 95% | 0.952 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -84.6 | 19.8 | -175.7 | -69.5 | -178.7 | 176.7 | 175.5 | 0 | 114 | ||
| 772 | K | 53.1 | Low | 44.9 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 54% | 0.543 | 67% | 0.672 | S | S | . | * | trans | -119.3 | -21.8 | -165 | -75.9 | -177.3 | 161.2 | -164 | 0 | 116.7 | S770 E856 | S770-K772 PolarHBondContact O-N 3.43Å; K772-E856 WeakPolarHBondContact CD-OE2 3.19Å; K772-E856 WeakPolarHBondContact CE-OE2 3.5Å; K772-E856 IonicContact NZ-OE2 3.81Å; K772-E856 PolarHBondContact NZ-OE2 3.26Å | ||
| 773 | T | 46.3 | Very low | 46 | Very low | 53 Ų | 53 | 133.2 Ų | 133.2 | 33% | 0.325 | 66% | 0.664 | S | S | . | * | B | Isolated β-bridge | trans | -83.5 | 147.8 | -169.1 | -16.6 | 0 | 0 | 0 | 0 | 113.1 | E852 F855 | T773-E852 PolarHBondContact OG1-OE1 3.39Å; T773-F855 HydrophobicContact CG2-CB 3.85Å |
| 774 | I | 51.2 | Low | 47.8 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 53% | 0.533 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 134.5 | 177.2 | -66.4 | 163.3 | 0 | 0 | 0 | 111.1 | F855 | I774-F855 HydrophobicContact CD1-CD1 4.43Å; I774-F855 PolarHBondContact N-O 2.89Å |
| 775 | R | 51.2 | Low | 49.2 | Very low | 210 Ų | 210 | 132.4 Ų | 132.4 | 79% | 0.792 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 121.1 | -174.5 | -173.6 | 174.5 | -177.9 | 160.2 | -0.7 | 111.9 | H777 | R775-H777 PolarHBondContact O-CD2 2.94Š|
| 776 | L | 47.5 | Very low | 50.4 | Low | 113 Ų | 113 | 135.7 Ų | 135.7 | 59% | 0.592 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 138.1 | 173.7 | -63.5 | 174.7 | 0 | 0 | 0 | 111.5 | W778 | L776-W778 HydrophobicContact CB-CD2 4.22Å; L776-W778 HydrophobicContact CB-CH2 4.35Å; L776-W778 HydrophobicContact CB-CZ2 3.84Å; L776-W778 HydrophobicContact CD1-CH2 3.42Å; L776-W778 VanDerWaalsContact CD1-CH2 3.42Å; L776-W778 HydrophobicContact CD1-CZ2 3.57Å; L776-W778 HydrophobicContact CD1-CZ3 4.07Å; L776-W778 HydrophobicContact CG-CZ2 4.34Å |
| 777 | H | 44.2 | Very low | 51.5 | Low | 179 Ų | 179 | 129.7 Ų | 129.7 | 83% | 0.829 | 63% | 0.631 | S | S | * | * | trans | -103.2 | 66.6 | -172.7 | -85.3 | -112 | 0 | 0 | 0 | 112.4 | R775 | R775-H777 PolarHBondContact O-CD2 2.94Š| ||
| 778 | W | 47.1 | Very low | 52.5 | Low | 210 Ų | 210 | 129.2 Ų | 129.2 | 80% | 0.795 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 146.9 | 170.7 | 30.3 | 42.3 | 0 | 0 | 0 | 112.6 | L776 | L776-W778 HydrophobicContact CB-CD2 4.22Å; L776-W778 HydrophobicContact CB-CH2 4.35Å; L776-W778 HydrophobicContact CB-CZ2 3.84Å; L776-W778 HydrophobicContact CD1-CH2 3.42Å; L776-W778 VanDerWaalsContact CD1-CH2 3.42Å; L776-W778 HydrophobicContact CD1-CZ2 3.57Å; L776-W778 HydrophobicContact CD1-CZ3 4.07Å; L776-W778 HydrophobicContact CG-CZ2 4.34Å |
| 779 | T | 52.2 | Low | 53.4 | Low | 145 Ų | 145 | 130.4 Ų | 130.4 | 89% | 0.89 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 130.8 | 176.3 | 42.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 780 | E | 46.8 | Very low | 54.3 | Low | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 120.4 | -179.7 | -177.6 | 175.7 | -134.8 | 0 | 0 | 112.1 | K782 | E780-K782 HydrophobicContact CG-CG 4.37Å; E780-K782 WeakPolarHBondContact OE2-CE 3.22Å; E780-K782 IonicContact OE2-NZ 3.82Å; E780-K782 PolarHBondContact OE2-NZ 3.17Å |
| 781 | W | 55.6 | Low | 54.7 | Low | 174 Ų | 174 | 130 Ų | 130 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 128.9 | 172.1 | 179.3 | 76.4 | 0 | 0 | 0 | 110.5 | P783 | W781-P783 HydrophobicContact CH2-CB 3.63Å; W781-P783 HydrophobicContact CH2-CG 4.22Å; W781-P783 HydrophobicContact CZ2-CB 4.02Å; W781-P783 HydrophobicContact CZ3-CB 3.98Å; W781-P783 HydrophobicContact CZ3-CG 4.06Å |
| 782 | K | 57 | Low | 54.7 | Low | 140 Ų | 140 | 122.9 Ų | 122.9 | 61% | 0.609 | 60% | 0.602 | S | S | * | * | trans | -121.6 | 111.8 | 179.3 | -63.7 | -172.3 | -178.6 | -172.8 | 0 | 109.2 | E780 T784 | E780-K782 HydrophobicContact CG-CG 4.37Å; E780-K782 WeakPolarHBondContact OE2-CE 3.22Å; E780-K782 IonicContact OE2-NZ 3.82Å; E780-K782 PolarHBondContact OE2-NZ 3.17Å; K782-T784 PolarHBondContact O-N 3.38Å | ||
| 783 | P | 58.4 | Low | 54.7 | Low | 56 Ų | 56 | 121.6 Ų | 121.6 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | trans | -62.4 | 130.6 | 177.5 | 23.8 | -31.6 | 0 | 0 | 0 | 110 | W781 D787 L788 | W781-P783 HydrophobicContact CH2-CB 3.63Å; W781-P783 HydrophobicContact CH2-CG 4.22Å; W781-P783 HydrophobicContact CZ2-CB 4.02Å; W781-P783 HydrophobicContact CZ3-CB 3.98Å; W781-P783 HydrophobicContact CZ3-CG 4.06Å; P783-D787 HydrophobicContact CB-CB 4.18Å; P783-L788 HydrophobicContact CB-CG 4.31Å | ||
| 784 | T | 70 | Confident | 54.8 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 44% | 0.442 | 62% | 0.617 | S | S | . | * | trans | -75.8 | 166.5 | 173.3 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | K782 K786 D787 L788 | K782-T784 PolarHBondContact O-N 3.38Å; T784-K786 PolarHBondContact O-N 3.35Å; T784-K786 VanDerWaalsContact O-N 3.11Å; T784-K786 PolarHBondContact OG1-N 3.26Å; T784-D787 WeakPolarHBondContact CA-OD2 3.48Å; T784-D787 VanDerWaalsContact CB-OD2 3.26Å; T784-D787 WeakPolarHBondContact CB-OD2 3.25Å; T784-D787 WeakPolarHBondContact CG2-OD2 3.5Å; T784-D787 PolarHBondContact N-OD2 3.16Å; T784-D787 PolarHBondContact O-N 3.38Å; T784-D787 VanDerWaalsContact OG1-CG 3.27Å; T784-D787 PolarHBondContact OG1-N 2.68Å; T784-D787 PolarHBondContact OG1-OD2 2.92Å; T784-L788 PolarHBondContact O-N 3.36Å | ||
| 785 | A | 65.7 | Low | 54.2 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.5 | -17.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | K789 | A785-K789 WeakPolarHBondContact O-CB 3.26Å; A785-K789 PolarHBondContact O-N 2.65Å |
| 786 | K | 63.3 | Low | 53.5 | Low | 168 Ų | 168 | 121.9 Ų | 121.9 | 73% | 0.73 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -77.7 | -43 | 170.8 | -69.3 | -175 | 178.5 | 180 | 0 | 111.5 | T784 K789 M790 | T784-K786 PolarHBondContact O-N 3.35Å; T784-K786 VanDerWaalsContact O-N 3.11Å; T784-K786 PolarHBondContact OG1-N 3.26Å; K786-K789 CarbonylContact O-C 3.53Å; K786-K789 WeakPolarHBondContact O-CA 3.27Å; K786-K789 WeakPolarHBondContact O-CB 3.21Å; K786-K789 PolarHBondContact O-N 2.81Å; K786-K789 VanDerWaalsContact O-N 3.12Å; K786-M790 WeakPolarHBondContact O-CG 3.37Å; K786-M790 PolarHBondContact O-N 3.34Å |
| 787 | D | 56 | Low | 52.9 | Low | 49 Ų | 49 | 121.2 Ų | 121.2 | 26% | 0.262 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.7 | -46.3 | 179 | -50.8 | -50.9 | 0 | 0 | 0 | 110.2 | P783 T784 K789 M790 I791 | P783-D787 HydrophobicContact CB-CB 4.18Å; T784-D787 WeakPolarHBondContact CA-OD2 3.48Å; T784-D787 VanDerWaalsContact CB-OD2 3.26Å; T784-D787 WeakPolarHBondContact CB-OD2 3.25Å; T784-D787 WeakPolarHBondContact CG2-OD2 3.5Å; T784-D787 PolarHBondContact N-OD2 3.16Å; T784-D787 PolarHBondContact O-N 3.38Å; T784-D787 VanDerWaalsContact OG1-CG 3.27Å; T784-D787 PolarHBondContact OG1-N 2.68Å; T784-D787 PolarHBondContact OG1-OD2 2.92Å; D787-K789 VanDerWaalsContact C-N 3.26Å; D787-K789 PolarHBondContact O-N 3.24Å; D787-M790 PolarHBondContact O-N 3Å; D787-M790 VanDerWaalsContact O-N 3.15Å; D787-I791 WeakPolarHBondContact O-CB 3.31Å; D787-I791 WeakPolarHBondContact O-CD1 3.34Å; D787-I791 VanDerWaalsContact O-CG1 3.22Å; D787-I791 WeakPolarHBondContact O-CG1 3.33Å; D787-I791 PolarHBondContact O-N 2.95Å |
| 788 | L | 58.8 | Low | 52.3 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -56.7 | -38.1 | 171.4 | -69.9 | 168.5 | 0 | 0 | 0 | 112.2 | P783 T784 A792 | P783-L788 HydrophobicContact CB-CG 4.31Å; T784-L788 PolarHBondContact O-N 3.36Å; L788-A792 VanDerWaalsContact O-CB 3.29Å; L788-A792 WeakPolarHBondContact O-CB 3.44Å; L788-A792 PolarHBondContact O-N 2.86Å |
| 789 | K | 63.3 | Low | 51.6 | Low | 153 Ų | 153 | 113.7 Ų | 113.7 | 67% | 0.665 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.2 | -45 | 173.8 | -104.1 | -172 | 174.6 | -175.8 | 0 | 112.7 | A785 K786 D787 A792 S793 | A785-K789 WeakPolarHBondContact O-CB 3.26Å; A785-K789 PolarHBondContact O-N 2.65Å; K786-K789 CarbonylContact O-C 3.53Å; K786-K789 WeakPolarHBondContact O-CA 3.27Å; K786-K789 WeakPolarHBondContact O-CB 3.21Å; K786-K789 PolarHBondContact O-N 2.81Å; K786-K789 VanDerWaalsContact O-N 3.12Å; D787-K789 VanDerWaalsContact C-N 3.26Å; D787-K789 PolarHBondContact O-N 3.24Å; K789-A792 PolarHBondContact O-N 3.23Å; K789-S793 WeakPolarHBondContact O-CB 3.45Å; K789-S793 PolarHBondContact O-N 3.4Å; K789-S793 PolarHBondContact O-OG 2.96Å; K789-S793 VanDerWaalsContact O-OG 3.11Å |
| 790 | M | 56.6 | Low | 50.8 | Low | 127 Ų | 127 | 112.6 Ų | 112.6 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.7 | -38.9 | 179.2 | -63.3 | -149.4 | -57.9 | 0 | 0 | 111.7 | K786 D787 A792 S793 T794 | K786-M790 WeakPolarHBondContact O-CG 3.37Å; K786-M790 PolarHBondContact O-N 3.34Å; D787-M790 PolarHBondContact O-N 3Å; D787-M790 VanDerWaalsContact O-N 3.15Å; M790-A792 VanDerWaalsContact C-N 3.32Å; M790-A792 PolarHBondContact O-N 2.92Å; M790-S793 PolarHBondContact O-N 3.42Å; M790-T794 WeakPolarHBondContact O-CG2 3.25Å; M790-T794 PolarHBondContact O-N 2.87Å; M790-T794 PolarHBondContact O-OG1 3.38Å; M790-T794 VanDerWaalsContact O-OG1 3.13Å |
| 791 | I | 51.5 | Low | 50.2 | Low | 105 Ų | 105 | 111.1 Ų | 111.1 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.4 | -38.7 | 173.9 | -67.3 | 164 | 0 | 0 | 0 | 111.2 | D787 T794 | D787-I791 WeakPolarHBondContact O-CB 3.31Å; D787-I791 WeakPolarHBondContact O-CD1 3.34Å; D787-I791 VanDerWaalsContact O-CG1 3.22Å; D787-I791 WeakPolarHBondContact O-CG1 3.33Å; D787-I791 PolarHBondContact O-N 2.95Å; I791-T794 PolarHBondContact O-OG1 2.77Å; I791-T794 VanDerWaalsContact O-OG1 3.05Å |
| 792 | A | 52.5 | Low | 49.2 | Very low | 69 Ų | 69 | 111.4 Ų | 111.4 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.3 | -38.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L788 K789 M790 T794 | L788-A792 VanDerWaalsContact O-CB 3.29Å; L788-A792 WeakPolarHBondContact O-CB 3.44Å; L788-A792 PolarHBondContact O-N 2.86Å; K789-A792 PolarHBondContact O-N 3.23Å; M790-A792 VanDerWaalsContact C-N 3.32Å; M790-A792 PolarHBondContact O-N 2.92Å; A792-T794 PolarHBondContact O-N 2.93Å |
| 793 | S | 53 | Low | 48.3 | Very low | 98 Ų | 98 | 110 Ų | 110 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.9 | -3.3 | -178.1 | -68.5 | 0 | 0 | 0 | 0 | 114.6 | K789 M790 | K789-S793 WeakPolarHBondContact O-CB 3.45Å; K789-S793 PolarHBondContact O-N 3.4Å; K789-S793 PolarHBondContact O-OG 2.96Å; K789-S793 VanDerWaalsContact O-OG 3.11Å; M790-S793 PolarHBondContact O-N 3.42Å |
| 794 | T | 48.7 | Very low | 47 | Very low | 80 Ų | 80 | 113.3 Ų | 113.3 | 49% | 0.491 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | 7.4 | 179.1 | 44.5 | 0 | 0 | 0 | 0 | 115.6 | M790 I791 A792 | M790-T794 WeakPolarHBondContact O-CG2 3.25Å; M790-T794 PolarHBondContact O-N 2.87Å; M790-T794 PolarHBondContact O-OG1 3.38Å; M790-T794 VanDerWaalsContact O-OG1 3.13Å; I791-T794 PolarHBondContact O-OG1 2.77Å; I791-T794 VanDerWaalsContact O-OG1 3.05Å; A792-T794 PolarHBondContact O-N 2.93Å |
| 795 | K | 39.5 | Very low | 45.1 | Very low | 186 Ų | 186 | 117.9 Ų | 117.9 | 81% | 0.809 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -137.2 | 55.9 | -174 | -70.3 | -170.7 | 175.4 | 179.4 | 0 | 116.8 | ||
| 796 | S | 35.4 | Very low | 43.4 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | trans | -176.9 | 153.8 | 161.3 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 797 | S | 34.7 | Very low | 41.9 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | cis | -174 | 110.7 | -17.9 | 48.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 798 | S | 32.6 | Very low | 40.6 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | 62.1 | 106 | 90.8 | 69.3 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 799 | S | 33 | Very low | 39.2 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -179 | 117.8 | 149.2 | -137.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 800 | V | 33.5 | Very low | 37.4 | Very low | 123 Ų | 123 | 118 Ų | 118 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | 65 | 127.3 | 85 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 801 | D | 36.2 | Very low | 36.1 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | cis | -148.2 | 133.7 | 42.6 | -119.3 | -28.9 | 0 | 0 | 0 | 111.9 | ||||
| 802 | K | 34.2 | Very low | 35.2 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | 92.7 | 158.9 | 101.9 | -93.1 | -166.1 | -160.8 | 90.5 | 0 | 117.2 | |||||
| 803 | P | 37.2 | Very low | 34.1 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -133.2 | 179.5 | -137 | 44.7 | -29.1 | 0 | 0 | 0 | 115.7 | ||||
| 804 | D | 30.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | -154.7 | 147.7 | 143.3 | -135.4 | -8.7 | 0 | 0 | 0 | 116.3 | ||||
| 805 | K | 30.9 | Very low | 31.8 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 74% | 0.735 | 76% | 0.756 | S | S | * | * | trans | 40.1 | 115.4 | 152.2 | -76.9 | 158.7 | -165.7 | 93.1 | 0 | 123 | ||||
| 806 | A | 30.4 | Very low | 31.4 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | 116.1 | 135.6 | 113 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 807 | T | 32.2 | Very low | 31 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | 35.4 | 128.4 | 151.7 | 55.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 808 | G | 27.7 | Very low | 30.6 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | cis | 139.2 | 132 | 12.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G810 | G808-G810 PolarHBondContact O-N 3.15Š| ||
| 809 | I | 29.1 | Very low | 30.3 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 96% | 0.964 | 76% | 0.759 | S | S | * | * | trans | 13.5 | 103.7 | 153.5 | -50.7 | 170.7 | 0 | 0 | 0 | 115.1 | ||||
| 810 | G | 27 | Very low | 30 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -172.2 | 103.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G808 | G808-G810 PolarHBondContact O-N 3.15Š| ||
| 811 | S | 28 | Very low | 29.8 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -23.3 | 132.7 | 158.9 | 179.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 812 | R | 32.9 | Very low | 29.4 | Very low | 231 Ų | 231 | 134.9 Ų | 134.9 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | -165.5 | 116.4 | 115.1 | -107.4 | 156.7 | -69.9 | -174 | 1.2 | 114.8 | |||||
| 813 | F | 29.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | trans | -69.2 | 173.9 | 144.6 | -115.2 | -117.6 | 0 | 0 | 0 | 110 | F1054 | F813-F1054 HydrophobicContact CE2-CE1 4.1Š| ||
| 814 | T | 28.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | 81.1 | 114.6 | 171.7 | 77.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 815 | S | 26.1 | Very low | 29.1 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | 164.1 | 151 | 128.6 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 816 | A | 30.7 | Very low | 29.3 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 49.7 | 108.1 | 178 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 817 | L | 27.1 | Very low | 29.6 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 90% | 0.901 | 71% | 0.712 | S | S | * | * | cis | 59 | 122.5 | 19.6 | -141.2 | 82.4 | 0 | 0 | 0 | 115.3 | ||||
| 818 | S | 25.9 | Very low | 30 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | 88.7 | 124.8 | 167.2 | -149.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 819 | N | 26.1 | Very low | 31 | Very low | 143 Ų | 143 | 118.6 Ų | 118.6 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | 76.8 | 151.6 | 161 | -61 | -31.7 | 0 | 0 | 0 | 121.1 | ||||
| 820 | N | 28.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 111.9 Ų | 111.9 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | trans | 74.2 | 62.9 | 163.5 | -59 | -13.3 | 0 | 0 | 0 | 119.7 | ||||
| 821 | K | 27.2 | Very low | 33.3 | Very low | 192 Ų | 192 | 109.1 Ų | 109.1 | 84% | 0.835 | 57% | 0.571 | S | S | * | * | 2.5 | 125.6 | 124.2 | -166.6 | 172.4 | -173.5 | 173.8 | 0 | 116 | |||||
| 822 | T | 28.6 | Very low | 34.6 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 77% | 0.767 | 54% | 0.54 | S | S | * | . | S | Bend | trans | 58.2 | 78.3 | 167.1 | 51.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 823 | K | 29.6 | Very low | 35.6 | Very low | 180 Ų | 180 | 94.6 Ų | 94.6 | 78% | 0.783 | 51% | 0.505 | S | S | * | . | trans | 175.9 | 101.1 | 142.3 | -101.7 | 169.1 | -177.9 | -171.9 | 0 | 112.1 | ||||
| 824 | E | 31.2 | Very low | 36.9 | Very low | 124 Ų | 124 | 92.3 Ų | 92.3 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | trans | -171.2 | 93.3 | 139.6 | -111.2 | -173.1 | 152.3 | 0 | 0 | 111.2 | R827 | E824-R827 IonicContact OE1-CZ 2.73Å; E824-R827 VanDerWaalsContact OE1-CZ 3.23Å; E824-R827 IonicContact OE1-NH1 3.51Å; E824-R827 PolarHBondContact OE1-NH1 3.46Å; E824-R827 IonicContact OE1-NH2 2.68Å; E824-R827 PolarHBondContact OE1-NH2 2.84Å | ||
| 825 | V | 34 | Very low | 38 | Very low | 30 Ų | 30 | 89.1 Ų | 89.1 | 18% | 0.182 | 49% | 0.486 | C | S | . | . | trans | -135.5 | 73.4 | 157.8 | 175.2 | 0 | 0 | 0 | 0 | 104.7 | V991 I992 I995 R1136 | V825-V991 HydrophobicContact CG1-CG1 3.33Å; V825-I992 HydrophobicContact CG2-CG1 4.35Å; V825-I995 HydrophobicContact CB-CD1 4.22Å; V825-I995 HydrophobicContact CG1-CD1 3.89Å; V825-I995 HydrophobicContact CG2-CD1 4.2Å; V825-R1136 HydrophobicContact CG1-CG 3.78Å | ||
| 826 | K | 35.3 | Very low | 39.5 | Very low | 69 Ų | 69 | 87.4 Ų | 87.4 | 30% | 0.3 | 47% | 0.47 | S | S | . | . | trans | -173.1 | 162.5 | -177.6 | -111.5 | 164 | -168.7 | 179.8 | 0 | 111.1 | E682 | E682-K826 IonicContact OE2-NZ 3.42Å; E682-K826 PolarHBondContact OE2-NZ 2.94Å | ||
| 827 | R | 36.3 | Very low | 40.8 | Very low | 129 Ų | 129 | 86.4 Ų | 86.4 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | S | Bend | 59.2 | 143.4 | -121.5 | -51.9 | 167.8 | -144.4 | 78.8 | -4.5 | 108.4 | E824 H1139 E1142 | E824-R827 IonicContact OE1-CZ 2.73Å; E824-R827 VanDerWaalsContact OE1-CZ 3.23Å; E824-R827 IonicContact OE1-NH1 3.51Å; E824-R827 PolarHBondContact OE1-NH1 3.46Å; E824-R827 IonicContact OE1-NH2 2.68Å; E824-R827 PolarHBondContact OE1-NH2 2.84Å; R827-H1139 CarbonylContact C-O 3.07Å; R827-H1139 CarbonylContact O-C 3.52Å; R827-E1142 HydrophobicContact CB-CG 4.32Å | |
| 828 | D | 42.4 | Very low | 42.2 | Very low | 3 Ų | 3 | 87.3 Ų | 87.3 | 2% | 0.016 | 45% | 0.446 | C | S | . | . | trans | 175.5 | -155.5 | 138.2 | 129 | -54.3 | 0 | 0 | 0 | 102.9 | K830 T1140 L1141 E1142 Y1143 L1144 | D828-K830 VanDerWaalsContact O-CE 3.25Å; D828-K830 WeakPolarHBondContact O-CE 3.47Å; D828-T1140 VanDerWaalsContact CA-N 3.25Å; D828-T1140 WeakPolarHBondContact OD1-CA 3.41Å; D828-T1140 VanDerWaalsContact OD1-O 3.13Å; D828-L1141 VanDerWaalsContact CB-N 3.34Å; D828-L1141 VanDerWaalsContact CG-C 3.45Å; D828-L1141 PolarHBondContact OD1-N 2.83Å; D828-L1141 WeakPolarHBondContact OD2-CA 3.45Å; D828-L1141 PolarHBondContact OD2-N 3.45Å; D828-L1141 VanDerWaalsContact OD2-N 3.11Å; D828-E1142 VanDerWaalsContact C-CB 3.49Å; D828-E1142 VanDerWaalsContact CA-N 3.29Å; D828-E1142 HydrophobicContact CB-CB 3.91Å; D828-E1142 HydrophobicContact CB-CG 3.69Å; D828-E1142 VanDerWaalsContact CG-N 3.35Å; D828-E1142 WeakPolarHBondContact O-CB 3.28Å; D828-E1142 VanDerWaalsContact O-CD 3.26Å; D828-E1142 WeakPolarHBondContact O-CG 3.17Å; D828-E1142 VanDerWaalsContact O-OE1 3.11Å; D828-E1142 PolarHBondContact OD2-N 3.13Å; D828-E1142 VanDerWaalsContact OD2-N 3.07Å; D828-Y1143 VanDerWaalsContact CG-N 3.33Å; D828-Y1143 VanDerWaalsContact OD2-CA 3.3Å; D828-Y1143 WeakPolarHBondContact OD2-CA 3.43Å; D828-Y1143 WeakPolarHBondContact OD2-CB 3.44Å; D828-Y1143 PolarHBondContact OD2-N 2.92Å; D828-L1144 PolarHBondContact OD2-N 3.34Å | ||
| 829 | V | 47.8 | Very low | 43.7 | Very low | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 44% | 0.442 | C | S | . | . | cis | -126.4 | -1.3 | -3.6 | 70.8 | 0 | 0 | 0 | 0 | 113 | T831 F1137 R1138 L1141 A1151 | V829-T831 PolarHBondContact O-N 3.31Å; V829-F1137 WeakPolarHBondContact CB-O 3.34Å; V829-F1137 HydrophobicContact CG2-CD1 4.47Å; V829-F1137 HydrophobicContact CG2-CE1 4.29Å; V829-F1137 WeakPolarHBondContact CG2-O 3.17Å; V829-R1138 VanDerWaalsContact CB-C 3.41Å; V829-R1138 VanDerWaalsContact CB-CA 3.48Å; V829-R1138 HydrophobicContact CB-CB 4.47Å; V829-R1138 WeakPolarHBondContact CB-O 3.46Å; V829-R1138 HydrophobicContact CG1-CB 4Å; V829-R1138 HydrophobicContact CG1-CG 4.29Å; V829-R1138 WeakPolarHBondContact CG1-O 3.27Å; V829-L1141 VanDerWaalsContact C-CB 3.42Å; V829-L1141 VanDerWaalsContact CA-CA 3.45Å; V829-L1141 HydrophobicContact CB-CG 4.34Å; V829-L1141 HydrophobicContact CG2-CD1 4.08Å; V829-L1141 HydrophobicContact CG2-CG 3.78Å; V829-L1141 WeakPolarHBondContact O-CB 3.32Å; V829-L1141 VanDerWaalsContact O-CD1 3.31Å; V829-L1141 WeakPolarHBondContact O-CD1 3.43Å; V829-L1141 WeakPolarHBondContact O-CG 3.29Å; V829-A1151 HydrophobicContact CG1-CB 3.29Å | ||
| 830 | K | 53.9 | Low | 45 | Very low | 47 Ų | 47 | 85.6 Ų | 85.6 | 20% | 0.204 | 43% | 0.432 | C | S | . | . | -80.3 | 15.8 | -120.7 | -68.4 | 174.1 | -163.6 | 160.3 | 0 | 119.6 | D828 E1142 S1147 P1148 R1150 A1151 | D828-K830 VanDerWaalsContact O-CE 3.25Å; D828-K830 WeakPolarHBondContact O-CE 3.47Å; K830-E1142 HydrophobicContact CB-CB 4.05Å; K830-E1142 HydrophobicContact CD-CB 4.15Å; K830-E1142 VanDerWaalsContact CD-OE2 3.25Å; K830-E1142 WeakPolarHBondContact CD-OE2 3.17Å; K830-E1142 VanDerWaalsContact CE-CD 3.47Å; K830-E1142 WeakPolarHBondContact CE-OE1 3.4Å; K830-E1142 VanDerWaalsContact CE-OE2 3.28Å; K830-E1142 WeakPolarHBondContact CE-OE2 3.46Å; K830-E1142 HydrophobicContact CG-CB 4.05Å; K830-E1142 IonicContact NZ-OE1 3.71Å; K830-E1142 PolarHBondContact NZ-OE1 3.37Å; K830-E1142 IonicContact NZ-OE2 3.54Å; K830-E1142 PolarHBondContact NZ-OE2 3.03Å; K830-S1147 CarbonylContact O-C 3.47Å; K830-P1148 HydrophobicContact CD-CB 4.07Å; K830-P1148 HydrophobicContact CD-CG 4.17Å; K830-R1150 VanDerWaalsContact C-C 3.48Å; K830-R1150 CarbonylContact C-O 3.59Å; K830-R1150 CarbonylContact O-C 3.54Å; K830-R1150 WeakPolarHBondContact O-CA 3.14Å; K830-R1150 WeakPolarHBondContact O-CB 3.42Å; K830-A1151 HydrophobicContact CB-CB 4.27Å; K830-A1151 HydrophobicContact CG-CB 4.11Å; K830-A1151 PolarHBondContact O-N 3.08Å | |||
| 831 | T | 50.7 | Low | 46.1 | Very low | 14 Ų | 14 | 83 Ų | 83 | 9% | 0.086 | 42% | 0.417 | C | S | . | . | trans | -149.8 | 76.5 | -172.5 | -68.3 | 0 | 0 | 0 | 0 | 117.1 | V829 T1023 Y1146 S1147 R1150 | V829-T831 PolarHBondContact O-N 3.31Å; T831-T1023 HydrophobicContact CG2-CG2 3.46Å; T831-T1023 VanDerWaalsContact CG2-CG2 3.46Å; T831-Y1146 HydrophobicContact CG2-CD1 4.46Å; T831-Y1146 HydrophobicContact CG2-CD2 3.95Å; T831-Y1146 HydrophobicContact CG2-CG 3.9Å; T831-Y1146 WeakPolarHBondContact OG1-CB 3.4Å; T831-S1147 PolarHBondContact OG1-N 3.33Å; T831-S1147 VanDerWaalsContact OG1-N 3.11Å; T831-S1147 PolarHBondContact OG1-O 3.15Å; T831-S1147 PolarHBondContact OG1-OG 2.88Å; T831-R1150 VanDerWaalsContact C-CD 3.48Å; T831-R1150 CarbonylContact C-O 3.53Å; T831-R1150 VanDerWaalsContact CA-CB 3.5Å; T831-R1150 VanDerWaalsContact CA-CG 3.49Å; T831-R1150 VanDerWaalsContact CA-O 3.29Å; T831-R1150 WeakPolarHBondContact CA-O 3.49Å; T831-R1150 HydrophobicContact CG2-CB 4.3Å; T831-R1150 HydrophobicContact CG2-CG 4.1Å; T831-R1150 PolarHBondContact N-O 2.78Å; T831-R1150 PolarHBondContact O-NH1 3.43Å | ||
| 832 | I | 54.7 | Low | 47.1 | Very low | 10 Ų | 10 | 79.5 Ų | 79.5 | 5% | 0.051 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -121.1 | -37.8 | 152.4 | -83.7 | 162.2 | 0 | 0 | 0 | 116 | N834 D1025 L1141 R1150 T1154 Y1158 F1159 | I832-N834 PolarHBondContact O-N 3.41Å; I832-D1025 WeakPolarHBondContact CG1-OD1 3.3Å; I832-L1141 HydrophobicContact CD1-CD1 4.21Å; I832-R1150 CarbonylContact C-O 3.5Å; I832-R1150 VanDerWaalsContact CA-CZ 3.46Å; I832-R1150 PolarHBondContact N-O 3.03Å; I832-R1150 VanDerWaalsContact O-CZ 3.27Å; I832-R1150 PolarHBondContact O-NE 3.31Å; I832-R1150 PolarHBondContact O-NH2 2.99Å; I832-T1154 HydrophobicContact CB-CG2 3.78Å; I832-T1154 WeakPolarHBondContact CB-OG1 3.48Å; I832-T1154 HydrophobicContact CD1-CG2 3.72Å; I832-T1154 HydrophobicContact CG1-CG2 4.31Å; I832-T1154 HydrophobicContact CG2-CG2 3.95Å; I832-Y1158 HydrophobicContact CD1-CD1 4.03Å; I832-Y1158 HydrophobicContact CD1-CE1 3.99Å; I832-Y1158 HydrophobicContact CG1-CD1 4.49Å; I832-Y1158 HydrophobicContact CG1-CE1 4.11Å; I832-Y1158 HydrophobicContact CG2-CD1 3.73Å; I832-Y1158 HydrophobicContact CG2-CE1 3.69Å; I832-F1159 HydrophobicContact CD1-CB 4.1Å; I832-F1159 HydrophobicContact CD1-CD2 3.95Å; I832-F1159 HydrophobicContact CD1-CG 4.47Å |
| 833 | A | 54.6 | Low | 48 | Very low | 17 Ų | 17 | 77.2 Ų | 77.2 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 30.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | R1150 S1153 | A833-R1150 WeakPolarHBondContact CB-O 3.33Å; A833-R1150 PolarHBondContact N-O 2.96Å; A833-S1153 WeakPolarHBondContact CA-OG 3.49Å; A833-S1153 WeakPolarHBondContact CB-OG 3.42Å |
| 834 | N | 55.6 | Low | 48.6 | Very low | 93 Ų | 93 | 74.2 Ų | 74.2 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | 9.3 | 178.5 | -68.1 | 21.3 | 0 | 0 | 0 | 110.6 | I832 R1150 | I832-N834 PolarHBondContact O-N 3.41Å; N834-R1150 HydrophobicContact CB-CB 4.2Å; N834-R1150 HydrophobicContact CB-CG 3.58Å; N834-R1150 VanDerWaalsContact N-CG 3.29Å; N834-R1150 WeakPolarHBondContact OD1-CA 3.01Å; N834-R1150 VanDerWaalsContact OD1-CB 3.27Å; N834-R1150 WeakPolarHBondContact OD1-CB 3.34Å; N834-R1150 WeakPolarHBondContact OD1-CG 3.33Å; N834-R1150 PolarHBondContact OD1-N 3.32Å |
| 835 | A | 51.9 | Low | 49.5 | Very low | 57 Ų | 57 | 78.1 Ų | 78.1 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | trans | -144.9 | 157.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 836 | T | 57.8 | Low | 50.3 | Low | 83 Ų | 83 | 83 Ų | 83 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | trans | -136.6 | 151.4 | 178.3 | 76.3 | 0 | 0 | 0 | 0 | 110.9 | W838 S839 | T836-W838 PolarHBondContact O-N 3.28Å; T836-S839 VanDerWaalsContact O-CB 3.31Å; T836-S839 WeakPolarHBondContact O-CB 3.47Å; T836-S839 PolarHBondContact O-N 3.15Å; T836-S839 VanDerWaalsContact O-N 3.16Å; T836-S839 PolarHBondContact O-OG 3.37Å; T836-S839 PolarHBondContact OG1-OG 2.96Å | ||
| 837 | V | 57.6 | Low | 51.6 | Low | 72 Ų | 72 | 84.2 Ų | 84.2 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -62.1 | -29.6 | -178.9 | 73.4 | 0 | 0 | 0 | 0 | 113 | S839 E840 | V837-S839 PolarHBondContact O-N 3.1Å; V837-S839 VanDerWaalsContact O-N 3.09Å; V837-E840 PolarHBondContact O-N 3.3Å |
| 838 | W | 57.1 | Low | 52.5 | Low | 191 Ų | 191 | 80.5 Ų | 80.5 | 72% | 0.723 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -61.1 | -19.9 | 177.8 | -53.4 | 102.5 | 0 | 0 | 0 | 113.6 | T836 E840 I841 | T836-W838 PolarHBondContact O-N 3.28Å; W838-E840 PolarHBondContact O-N 3.03Å; W838-I841 HydrophobicContact CD2-CD1 4.18Å; W838-I841 HydrophobicContact CE3-CD1 3.37Å; W838-I841 HydrophobicContact CZ3-CD1 3.7Å |
| 839 | S | 58.1 | Low | 53.6 | Low | 90 Ų | 90 | 86.1 Ų | 86.1 | 63% | 0.629 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -69.8 | -13.7 | 174.3 | -28.9 | 0 | 0 | 0 | 0 | 113.4 | T836 V837 | T836-S839 VanDerWaalsContact O-CB 3.31Å; T836-S839 WeakPolarHBondContact O-CB 3.47Å; T836-S839 PolarHBondContact O-N 3.15Å; T836-S839 VanDerWaalsContact O-N 3.16Å; T836-S839 PolarHBondContact O-OG 3.37Å; T836-S839 PolarHBondContact OG1-OG 2.96Å; V837-S839 PolarHBondContact O-N 3.1Å; V837-S839 VanDerWaalsContact O-N 3.09Å |
| 840 | E | 51.8 | Low | 54.5 | Low | 118 Ų | 118 | 91.9 Ų | 91.9 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -128.5 | 7.9 | -164.7 | -46 | -159.8 | 147.6 | 0 | 0 | 113.5 | V837 W838 V842 R1029 | V837-E840 PolarHBondContact O-N 3.3Å; W838-E840 PolarHBondContact O-N 3.03Å; E840-V842 PolarHBondContact O-N 3.42Å; E840-R1029 IonicContact OE1-CZ 3.25Å; E840-R1029 IonicContact OE1-NH2 3.6Å; E840-R1029 PolarHBondContact OE1-NH2 2.72Å; E840-R1029 IonicContact OE2-CZ 3.68Å; E840-R1029 IonicContact OE2-NH2 2.76Å; E840-R1029 PolarHBondContact OE2-NH2 3.04Å |
| 841 | I | 51.3 | Low | 54.5 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 124.5 | -178.5 | -61.4 | -178.8 | 0 | 0 | 0 | 111.1 | W838 | W838-I841 HydrophobicContact CD2-CD1 4.18Å; W838-I841 HydrophobicContact CE3-CD1 3.37Å; W838-I841 HydrophobicContact CZ3-CD1 3.7Å |
| 842 | V | 48.2 | Very low | 55 | Low | 117 Ų | 117 | 95.9 Ų | 95.9 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 130.3 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | E840 V844 | E840-V842 PolarHBondContact O-N 3.42Å; V842-V844 PolarHBondContact O-N 3.17Å |
| 843 | P | 48.3 | Very low | 55.4 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 131.4 | 176.3 | -22.3 | 33.7 | 0 | 0 | 0 | 113 | P763 | P763-P843 HydrophobicContact CB-CB 4.11Å; P763-P843 HydrophobicContact CB-CG 4.48Å; P763-P843 HydrophobicContact CG-CB 4.19Å; P763-P843 HydrophobicContact CG-CG 4.01Å |
| 844 | V | 41.6 | Very low | 55.1 | Low | 117 Ų | 117 | 105.6 Ų | 105.6 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 132 | 178 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | V842 L846 | V842-V844 PolarHBondContact O-N 3.17Å; V844-L846 HydrophobicContact CG1-CD2 4.43Å |
| 845 | K | 50.3 | Low | 55 | Low | 205 Ų | 205 | 105.7 Ų | 105.7 | 89% | 0.891 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 128 | 168.7 | -68.1 | -175.1 | 178.5 | -176.8 | 0 | 109.4 | ||
| 846 | L | 51.2 | Low | 55.1 | Low | 134 Ų | 134 | 106 Ų | 106 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | trans | -107.8 | 152.2 | 170.8 | -64.1 | 173.9 | 0 | 0 | 0 | 109.5 | V844 P848 L851 | V844-L846 HydrophobicContact CG1-CD2 4.43Å; L846-P848 WeakPolarHBondContact O-CD 3.34Å; L846-L851 HydrophobicContact CB-CD1 4.36Å; L846-L851 HydrophobicContact CD1-CD1 4.48Å | ||
| 847 | D | 61.9 | Low | 54.4 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | trans | -79.9 | 114.9 | 168.4 | -173.4 | -32.3 | 0 | 0 | 0 | 108.6 | D849 F850 L851 | D847-D849 PolarHBondContact OD1-N 3.08Å; D847-F850 HydrophobicContact CB-CB 4.32Å; D847-F850 PolarHBondContact OD1-N 3.19Å; D847-F850 VanDerWaalsContact OD1-N 3.16Å; D847-L851 WeakPolarHBondContact O-CD1 2.94Å; D847-L851 VanDerWaalsContact O-CG 3.3Å; D847-L851 WeakPolarHBondContact O-CG 3.44Å | ||
| 848 | P | 55.3 | Low | 54.1 | Low | 51 Ų | 51 | 114.1 Ų | 114.1 | 33% | 0.331 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.5 | -31.2 | -178.3 | 32.3 | -34 | 0 | 0 | 0 | 112.6 | L767 L846 L851 E852 | L767-P848 HydrophobicContact CD2-CB 3.67Å; L767-P848 HydrophobicContact CD2-CG 3.8Å; L846-P848 WeakPolarHBondContact O-CD 3.34Å; P848-L851 PolarHBondContact O-N 2.99Å; P848-E852 PolarHBondContact O-N 3.03Å |
| 849 | D | 65.6 | Low | 53.1 | Low | 121 Ų | 121 | 110 Ų | 110 | 65% | 0.647 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.2 | -43.9 | -168.7 | -61.4 | -27.1 | 0 | 0 | 0 | 109.7 | D847 L851 E852 E853 | D847-D849 PolarHBondContact OD1-N 3.08Å; D849-L851 PolarHBondContact O-N 2.89Å; D849-E852 PolarHBondContact O-N 3.08Å; D849-E853 PolarHBondContact O-N 2.8Å |
| 850 | F | 67.5 | Low | 51.8 | Low | 121 Ų | 121 | 111.1 Ų | 111.1 | 53% | 0.531 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57.7 | -35.2 | 170.5 | 175 | -104.3 | 0 | 0 | 0 | 112.7 | D847 T854 | D847-F850 HydrophobicContact CB-CB 4.32Å; D847-F850 PolarHBondContact OD1-N 3.19Å; D847-F850 VanDerWaalsContact OD1-N 3.16Å; F850-T854 WeakPolarHBondContact CE2-OG1 3.13Å; F850-T854 VanDerWaalsContact O-CB 3.25Å; F850-T854 WeakPolarHBondContact O-CB 3.27Å; F850-T854 PolarHBondContact O-N 2.81Å; F850-T854 PolarHBondContact O-OG1 3.48Å |
| 851 | L | 54.4 | Low | 50.9 | Low | 66 Ų | 66 | 112.1 Ų | 112.1 | 35% | 0.346 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.3 | -28.3 | -179.8 | -69.2 | 176.5 | 0 | 0 | 0 | 113.3 | L846 D847 P848 D849 F855 | L846-L851 HydrophobicContact CB-CD1 4.36Å; L846-L851 HydrophobicContact CD1-CD1 4.48Å; D847-L851 WeakPolarHBondContact O-CD1 2.94Å; D847-L851 VanDerWaalsContact O-CG 3.3Å; D847-L851 WeakPolarHBondContact O-CG 3.44Å; P848-L851 PolarHBondContact O-N 2.99Å; D849-L851 PolarHBondContact O-N 2.89Å; L851-F855 HydrophobicContact CD2-CD2 4.31Å; L851-F855 HydrophobicContact CD2-CE2 3.95Å; L851-F855 WeakPolarHBondContact O-CD2 3.16Å |
| 852 | E | 60.3 | Low | 49.8 | Very low | 79 Ų | 79 | 114.1 Ų | 114.1 | 37% | 0.369 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.9 | -37.7 | 169.3 | -70 | -144.6 | 132.3 | 0 | 0 | 112 | S770 T773 P848 D849 E856 | S770-E852 WeakPolarHBondContact CB-OE1 3.31Å; S770-E852 PolarHBondContact N-OE1 3.47Å; S770-E852 VanDerWaalsContact OG-CD 3.25Å; S770-E852 PolarHBondContact OG-OE1 3.02Å; S770-E852 PolarHBondContact OG-OE2 3.36Å; T773-E852 PolarHBondContact OG1-OE1 3.39Å; P848-E852 PolarHBondContact O-N 3.03Å; D849-E852 PolarHBondContact O-N 3.08Å; E852-E856 PolarHBondContact O-N 3.01Å |
| 853 | E | 63 | Low | 49.1 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67 | -49.3 | 177.1 | -175.5 | 172.7 | -152.2 | 0 | 0 | 112.3 | D849 F855 | D849-E853 PolarHBondContact O-N 2.8Å; E853-F855 PolarHBondContact O-N 2.81Å |
| 854 | T | 49.2 | Very low | 48.2 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.1 | -19.9 | -173.8 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | F850 | F850-T854 WeakPolarHBondContact CE2-OG1 3.13Å; F850-T854 VanDerWaalsContact O-CB 3.25Å; F850-T854 WeakPolarHBondContact O-CB 3.27Å; F850-T854 PolarHBondContact O-N 2.81Å; F850-T854 PolarHBondContact O-OG1 3.48Å |
| 855 | F | 52.4 | Low | 47.6 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -123.6 | 25.1 | -173.9 | -62.1 | -84.7 | 0 | 0 | 0 | 114.1 | T773 I774 L851 E853 | T773-F855 HydrophobicContact CG2-CB 3.85Å; I774-F855 HydrophobicContact CD1-CD1 4.43Å; I774-F855 PolarHBondContact N-O 2.89Å; L851-F855 HydrophobicContact CD2-CD2 4.31Å; L851-F855 HydrophobicContact CD2-CE2 3.95Å; L851-F855 WeakPolarHBondContact O-CD2 3.16Å; E853-F855 PolarHBondContact O-N 2.81Å |
| 856 | E | 54.3 | Low | 46.6 | Very low | 64 Ų | 64 | 123.2 Ų | 123.2 | 30% | 0.299 | 62% | 0.616 | S | S | . | * | B | Isolated β-bridge | trans | -65.8 | 129.4 | 166.3 | 178.4 | 178.2 | 76 | 0 | 0 | 111.3 | K772 E852 R858 | K772-E856 WeakPolarHBondContact CD-OE2 3.19Å; K772-E856 WeakPolarHBondContact CE-OE2 3.5Å; K772-E856 IonicContact NZ-OE2 3.81Å; K772-E856 PolarHBondContact NZ-OE2 3.26Å; E852-E856 PolarHBondContact O-N 3.01Å; E856-R858 HydrophobicContact CG-CG 4.44Å; E856-R858 IonicContact OE1-CZ 2.68Å; E856-R858 IonicContact OE1-NE 3.32Å; E856-R858 PolarHBondContact OE1-NE 3.28Å; E856-R858 IonicContact OE1-NH2 2.69Å; E856-R858 PolarHBondContact OE1-NH2 2.94Å |
| 857 | N | 44.1 | Very low | 45.5 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | trans | -95.4 | 117.8 | 178.9 | -166 | 9.2 | 0 | 0 | 0 | 112.7 | ||||
| 858 | R | 49.3 | Very low | 44.1 | Very low | 208 Ų | 208 | 129.9 Ų | 129.9 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -108.9 | 137.9 | 179.3 | -63.2 | -176.1 | 178.9 | 173.3 | 4.8 | 111.4 | E856 | E856-R858 HydrophobicContact CG-CG 4.44Å; E856-R858 IonicContact OE1-CZ 2.68Å; E856-R858 IonicContact OE1-NE 3.32Å; E856-R858 PolarHBondContact OE1-NE 3.28Å; E856-R858 IonicContact OE1-NH2 2.69Å; E856-R858 PolarHBondContact OE1-NH2 2.94Å | ||
| 859 | S | 36.1 | Very low | 43.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | trans | -152.3 | 172.4 | -175.1 | 58 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 860 | S | 32 | Very low | 41.7 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | 91.4 | 143.2 | -163.5 | 76.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 861 | D | 33.2 | Very low | 41 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | cis | -149.9 | 178.3 | 0.7 | -140.9 | -38 | 0 | 0 | 0 | 113.7 | ||||
| 862 | L | 28.5 | Very low | 40.9 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -104.9 | 153.3 | -166 | -63.5 | 150.6 | 0 | 0 | 0 | 115.4 | ||||
| 863 | K | 32 | Very low | 41.3 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | 158.9 | 129.5 | 135.7 | -83.2 | 143.5 | -152.1 | 147.4 | 0 | 111.6 | ||||
| 864 | I | 30.1 | Very low | 41.8 | Very low | 144 Ų | 144 | 133 Ų | 133 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | 70.6 | 128 | 67.8 | -66.1 | 169.2 | 0 | 0 | 0 | 110.7 | |||||
| 865 | K | 29.7 | Very low | 43.1 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | cis | -164.9 | 161 | 33.2 | -143.4 | 160 | -166.7 | 175.1 | 0 | 111.7 | ||||
| 866 | K | 29.3 | Very low | 44.6 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 89% | 0.887 | 68% | 0.677 | S | S | * | * | 174.1 | 154.6 | 112.2 | -160.3 | 166.3 | -177.8 | -175.2 | 0 | 111.1 | |||||
| 867 | Q | 27.4 | Very low | 46.1 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | -113.3 | 161.4 | -177.7 | -67.2 | 166.4 | -84.1 | 0 | 0 | 112.2 | ||||
| 868 | E | 33 | Very low | 48.2 | Very low | 198 Ų | 198 | 130.1 Ų | 130.1 | 93% | 0.925 | 66% | 0.662 | S | S | * | * | trans | -132.1 | 159.2 | 157.6 | -166.2 | 158.3 | -137.8 | 0 | 0 | 108.4 | ||||
| 869 | V | 34.8 | Very low | 49.9 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 83% | 0.83 | 66% | 0.655 | S | S | * | * | trans | -129.3 | 113.2 | -158.1 | 179 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 870 | A | 34.9 | Very low | 52.4 | Low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -168.2 | 135.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 871 | V | 53.5 | Low | 55.1 | Low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | cis | -144 | 153.8 | -13.2 | -169.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 872 | K | 50.8 | Low | 57.8 | Low | 186 Ų | 186 | 121 Ų | 121 | 81% | 0.809 | 60% | 0.599 | S | S | * | * | trans | -61 | 138.7 | -177.3 | -66.1 | -172.9 | 179.6 | -176.3 | 0 | 114 | ||||
| 873 | K | 69 | Low | 60.7 | Low | 112 Ų | 112 | 118 Ų | 118 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | trans | -136.2 | 169.5 | 168.5 | -64.9 | 176.7 | -176.4 | 172.4 | 0 | 108.8 | E875 | K873-E875 HydrophobicContact CB-CG 4.38Å; K873-E875 PolarHBondContact O-N 3.24Å | ||
| 874 | I | 73.5 | Confident | 63.4 | Low | 4 Ų | 4 | 111.4 Ų | 111.4 | 2% | 0.021 | 56% | 0.561 | C | S | . | * | B | Isolated β-bridge | trans | -78.4 | 102.3 | 167.9 | -45 | 177.8 | 0 | 0 | 0 | 108.1 | V876 A935 Q939 L942 P943 L944 G945 | I874-V876 HydrophobicContact CG2-CG2 3.78Å; I874-A935 HydrophobicContact CG2-CB 4.06Å; I874-Q939 HydrophobicContact CD1-CB 3.91Å; I874-Q939 HydrophobicContact CG1-CB 4.3Å; I874-L942 HydrophobicContact CD1-CB 3.85Å; I874-L942 VanDerWaalsContact CD1-O 3.29Å; I874-L942 WeakPolarHBondContact CD1-O 3.27Å; I874-L942 HydrophobicContact CG1-CB 3.49Å; I874-L942 VanDerWaalsContact CG1-CB 3.49Å; I874-P943 PolarHBondContact N-O 2.94Å; I874-L944 HydrophobicContact CB-CD2 4.11Å; I874-L944 HydrophobicContact CD1-CD2 4.3Å; I874-L944 HydrophobicContact CG2-CD2 4.24Å; I874-G945 PolarHBondContact O-N 3.26Å |
| 875 | E | 77.9 | Confident | 66.3 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | trans | -109.8 | 117.5 | 174.4 | -67.1 | 174.8 | -177.6 | 0 | 0 | 107.5 | K873 E948 | K873-E875 HydrophobicContact CB-CG 4.38Å; K873-E875 PolarHBondContact O-N 3.24Å; E875-E948 WeakPolarHBondContact CA-OE1 3.36Å | ||
| 876 | V | 83.9 | Confident | 69 | Low | 53 Ų | 53 | 97.7 Ų | 97.7 | 32% | 0.321 | 50% | 0.498 | S | S | . | . | trans | -116.8 | -34.3 | -172.6 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | I874 A931 I932 A935 E948 | I874-V876 HydrophobicContact CG2-CG2 3.78Å; V876-A931 HydrophobicContact CG1-CB 3.9Å; V876-I932 HydrophobicContact CB-CG1 4.08Å; V876-I932 HydrophobicContact CG1-CG1 4.26Å; V876-I932 HydrophobicContact CG2-CG1 4.36Å; V876-A935 HydrophobicContact CG1-CB 4.49Å; V876-A935 HydrophobicContact CG2-CB 3.55Å; V876-E948 HydrophobicContact CB-CG 4.27Å; V876-E948 HydrophobicContact CG2-CG 4.39Å; V876-E948 PolarHBondContact N-OE1 2.97Å | ||
| 877 | L | 85.8 | Confident | 71.8 | Confident | 19 Ų | 19 | 92.8 Ų | 92.8 | 10% | 0.099 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -74.2 | 147 | 177.5 | -61.6 | 167.7 | 0 | 0 | 0 | 109.8 | R881 I885 E928 I932 A947 E948 L951 | L877-R881 HydrophobicContact CB-CG 4.44Å; L877-R881 HydrophobicContact CD2-CG 4.22Å; L877-I885 HydrophobicContact CD1-CD1 3.83Å; L877-E928 HydrophobicContact CD2-CB 4.26Å; L877-E928 HydrophobicContact CD2-CG 3.79Å; L877-E928 WeakPolarHBondContact CD2-OE1 3.34Å; L877-I932 HydrophobicContact CD1-CD1 4.45Å; L877-I932 HydrophobicContact CD2-CD1 4.26Å; L877-I932 HydrophobicContact CG-CD1 4.31Å; L877-A947 HydrophobicContact CD1-CB 3.79Å; L877-E948 HydrophobicContact CD1-CG 3.99Å; L877-E948 HydrophobicContact CG-CG 4.06Å; L877-E948 PolarHBondContact N-OE1 3.1Å; L877-L951 HydrophobicContact CD1-CD1 3.75Å; L877-L951 HydrophobicContact CD1-CG 4.4Å; L877-L951 HydrophobicContact CD2-CD1 3.88Å; L877-L951 HydrophobicContact CG-CD1 4.43Å |
| 878 | D | 86.7 | Confident | 74.5 | Confident | 94 Ų | 94 | 84.8 Ų | 84.8 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | trans | -63.6 | 154.9 | 176.6 | 86.9 | -95.1 | 0 | 0 | 0 | 111.5 | K880 R881 S882 | D878-K880 PolarHBondContact O-N 2.75Å; D878-K880 VanDerWaalsContact O-N 3.08Å; D878-K880 WeakPolarHBondContact OD2-CA 3.39Å; D878-K880 VanDerWaalsContact OD2-CB 3.23Å; D878-K880 WeakPolarHBondContact OD2-CB 3.25Å; D878-K880 PolarHBondContact OD2-N 2.7Å; D878-R881 PolarHBondContact O-N 2.71Å; D878-R881 VanDerWaalsContact O-N 3.09Å; D878-R881 WeakPolarHBondContact OD1-CB 3.39Å; D878-R881 PolarHBondContact OD2-N 3.14Å; D878-S882 WeakPolarHBondContact O-CB 3.24Å; D878-S882 PolarHBondContact O-N 2.78Å | ||
| 879 | M | 85.9 | Confident | 77 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 64% | 0.64 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -56.4 | -29.4 | -175.5 | -175.9 | 58.8 | 62.3 | 0 | 0 | 113.4 | N883 | M879-N883 VanDerWaalsContact O-CB 3.23Å; M879-N883 WeakPolarHBondContact O-CB 3.49Å; M879-N883 PolarHBondContact O-N 2.85Å; M879-N883 PolarHBondContact O-ND2 2.9Å; M879-N883 PolarHBondContact SD-ND2 2.85Å |
| 880 | K | 88.2 | Confident | 79.4 | Confident | 178 Ų | 178 | 78.7 Ų | 78.7 | 77% | 0.774 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -77.7 | -47.4 | 175.1 | -58.8 | 179.3 | -179.4 | 176.2 | 0 | 111.3 | D878 N883 A884 | D878-K880 PolarHBondContact O-N 2.75Å; D878-K880 VanDerWaalsContact O-N 3.08Å; D878-K880 WeakPolarHBondContact OD2-CA 3.39Å; D878-K880 VanDerWaalsContact OD2-CB 3.23Å; D878-K880 WeakPolarHBondContact OD2-CB 3.25Å; D878-K880 PolarHBondContact OD2-N 2.7Å; K880-N883 PolarHBondContact O-N 2.85Å; K880-A884 WeakPolarHBondContact O-CB 3.48Å; K880-A884 PolarHBondContact O-N 2.86Å |
| 881 | R | 89.9 | Confident | 81.7 | Confident | 51 Ų | 51 | 78.7 Ų | 78.7 | 19% | 0.192 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 178.5 | -178.4 | 64.8 | 160.8 | 165.2 | -2.3 | 111.8 | L877 D878 A884 I885 T921 L923 E928 | L877-R881 HydrophobicContact CB-CG 4.44Å; L877-R881 HydrophobicContact CD2-CG 4.22Å; D878-R881 PolarHBondContact O-N 2.71Å; D878-R881 VanDerWaalsContact O-N 3.09Å; D878-R881 WeakPolarHBondContact OD1-CB 3.39Å; D878-R881 PolarHBondContact OD2-N 3.14Å; R881-A884 PolarHBondContact O-N 2.61Å; R881-I885 HydrophobicContact CG-CD1 4.05Å; R881-I885 WeakPolarHBondContact O-CG1 3.44Å; R881-I885 PolarHBondContact O-N 2.69Å; R881-T921 PolarHBondContact NH1-O 2.88Å; R881-L923 PolarHBondContact NH2-O 3.44Å; R881-E928 IonicContact CZ-OE1 2.78Å; R881-E928 VanDerWaalsContact CZ-OE1 3.32Å; R881-E928 IonicContact CZ-OE2 3.77Å; R881-E928 IonicContact NE-OE1 3.2Å; R881-E928 PolarHBondContact NE-OE1 3.24Å; R881-E928 IonicContact NE-OE2 2.62Å; R881-E928 VanDerWaalsContact NH2-CD 3.3Å; R881-E928 IonicContact NH2-OE1 3.68Å; R881-E928 PolarHBondContact NH2-OE1 3.44Å; R881-E928 VanDerWaalsContact NH2-OE1 3.09Å; R881-E928 IonicContact NH2-OE2 2.61Å; R881-E928 PolarHBondContact NH2-OE2 3.38Å |
| 882 | S | 89.4 | Confident | 83 | Confident | 16 Ų | 16 | 73.3 Ų | 73.3 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.4 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | D878 I885 N886 | D878-S882 WeakPolarHBondContact O-CB 3.24Å; D878-S882 PolarHBondContact O-N 2.78Å; S882-I885 PolarHBondContact O-N 2.91Å; S882-N886 WeakPolarHBondContact O-CB 3.34Å; S882-N886 PolarHBondContact O-N 2.76Å; S882-N886 PolarHBondContact O-ND2 2.66Å; S882-N886 PolarHBondContact OG-ND2 2.89Å |
| 883 | N | 89.3 | Confident | 84.3 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 174.2 | -83.7 | -54.9 | 0 | 0 | 0 | 112.8 | M879 K880 I885 N886 I887 | M879-N883 VanDerWaalsContact O-CB 3.23Å; M879-N883 WeakPolarHBondContact O-CB 3.49Å; M879-N883 PolarHBondContact O-N 2.85Å; M879-N883 PolarHBondContact O-ND2 2.9Å; M879-N883 PolarHBondContact SD-ND2 2.85Å; K880-N883 PolarHBondContact O-N 2.85Å; N883-I885 VanDerWaalsContact C-N 3.32Å; N883-I885 PolarHBondContact O-N 3.43Å; N883-N886 PolarHBondContact O-N 2.79Å; N883-I887 WeakPolarHBondContact O-CB 3.36Å; N883-I887 WeakPolarHBondContact O-CD1 3.31Å; N883-I887 WeakPolarHBondContact O-CG1 3.36Å; N883-I887 PolarHBondContact O-N 3.12Å |
| 884 | A | 89.2 | Confident | 84.8 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K880 R881 I887 G888 T921 M922 | K880-A884 WeakPolarHBondContact O-CB 3.48Å; K880-A884 PolarHBondContact O-N 2.86Å; R881-A884 PolarHBondContact O-N 2.61Å; A884-I887 PolarHBondContact O-N 2.87Å; A884-G888 PolarHBondContact O-N 3.02Å; A884-T921 HydrophobicContact CB-CG2 4.19Å; A884-M922 WeakPolarHBondContact O-CE 3.22Å |
| 885 | I | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 175.7 | -67.4 | 161 | 0 | 0 | 0 | 111.1 | L877 R881 S882 N883 I887 G888 L889 M922 A947 F950 L951 | L877-I885 HydrophobicContact CD1-CD1 3.83Å; R881-I885 HydrophobicContact CG-CD1 4.05Å; R881-I885 WeakPolarHBondContact O-CG1 3.44Å; R881-I885 PolarHBondContact O-N 2.69Å; S882-I885 PolarHBondContact O-N 2.91Å; N883-I885 VanDerWaalsContact C-N 3.32Å; N883-I885 PolarHBondContact O-N 3.43Å; I885-I887 VanDerWaalsContact C-N 3.28Å; I885-I887 PolarHBondContact O-N 3.48Å; I885-G888 CarbonylContact O-C 3.59Å; I885-G888 WeakPolarHBondContact O-CA 3.2Å; I885-G888 PolarHBondContact O-N 2.96Å; I885-L889 HydrophobicContact CG2-CD1 4.14Å; I885-L889 HydrophobicContact CG2-CG 4.43Å; I885-L889 WeakPolarHBondContact O-CG 3.13Å; I885-L889 PolarHBondContact O-N 2.82Å; I885-M922 HydrophobicContact CB-SD 4.29Å; I885-M922 HydrophobicContact CG1-CE 4.46Å; I885-M922 HydrophobicContact CG1-SD 4.27Å; I885-M922 HydrophobicContact CG2-SD 4.11Å; I885-A947 HydrophobicContact CB-CB 3.75Å; I885-A947 HydrophobicContact CD1-CB 4.16Å; I885-A947 HydrophobicContact CG2-CB 3.52Å; I885-F950 HydrophobicContact CG2-CD1 3.85Å; I885-L951 HydrophobicContact CD1-CD1 3.98Å; I885-L951 HydrophobicContact CD1-CD2 3.92Å; I885-L951 HydrophobicContact CD1-CG 4.06Å |
| 886 | N | 87.8 | Confident | 84.8 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.7 | -28.8 | 177.1 | -74.7 | -60.1 | 0 | 0 | 0 | 113.3 | S882 N883 K890 Q946 | S882-N886 WeakPolarHBondContact O-CB 3.34Å; S882-N886 PolarHBondContact O-N 2.76Å; S882-N886 PolarHBondContact O-ND2 2.66Å; S882-N886 PolarHBondContact OG-ND2 2.89Å; N883-N886 PolarHBondContact O-N 2.79Å; N886-K890 WeakPolarHBondContact O-CG 3.45Å; N886-Q946 WeakPolarHBondContact OD1-CB 3.13Å |
| 887 | I | 87.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 71.5 Ų | 71.5 | 52% | 0.518 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.8 | -32.4 | 170.5 | -70.5 | 163.2 | 0 | 0 | 0 | 111.1 | N883 A884 I885 | N883-I887 WeakPolarHBondContact O-CB 3.36Å; N883-I887 WeakPolarHBondContact O-CD1 3.31Å; N883-I887 WeakPolarHBondContact O-CG1 3.36Å; N883-I887 PolarHBondContact O-N 3.12Å; A884-I887 PolarHBondContact O-N 2.87Å; I885-I887 VanDerWaalsContact C-N 3.28Å; I885-I887 PolarHBondContact O-N 3.48Å |
| 888 | G | 85.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A884 I885 K890 V891 L892 | A884-G888 PolarHBondContact O-N 3.02Å; I885-G888 CarbonylContact O-C 3.59Å; I885-G888 WeakPolarHBondContact O-CA 3.2Å; I885-G888 PolarHBondContact O-N 2.96Å; G888-K890 PolarHBondContact O-N 3.27Å; G888-K890 VanDerWaalsContact O-N 3.16Å; G888-V891 PolarHBondContact O-N 2.85Å; G888-L892 PolarHBondContact O-N 3.31Å; G888-L892 VanDerWaalsContact O-N 3.16Å |
| 889 | L | 85.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -18 | 179.7 | -73.9 | 175.5 | 0 | 0 | 0 | 114.4 | I885 V891 P895 Q946 F950 | I885-L889 HydrophobicContact CG2-CD1 4.14Å; I885-L889 HydrophobicContact CG2-CG 4.43Å; I885-L889 WeakPolarHBondContact O-CG 3.13Å; I885-L889 PolarHBondContact O-N 2.82Å; L889-V891 VanDerWaalsContact C-N 3.29Å; L889-P895 HydrophobicContact CD2-CG 4.03Å; L889-Q946 HydrophobicContact CD1-CG 4.09Å; L889-F950 HydrophobicContact CD1-CB 4.04Å; L889-F950 HydrophobicContact CD1-CD1 4.11Å; L889-F950 HydrophobicContact CD1-CG 4.16Å; L889-F950 HydrophobicContact CD2-CB 4.45Å; L889-F950 HydrophobicContact CD2-CD1 3.66Å; L889-F950 HydrophobicContact CD2-CD2 3.94Å; L889-F950 HydrophobicContact CD2-CE1 3.69Å; L889-F950 HydrophobicContact CD2-CE2 4Å; L889-F950 HydrophobicContact CD2-CG 3.76Å; L889-F950 HydrophobicContact CD2-CZ 3.85Å; L889-F950 HydrophobicContact CG-CD1 4.01Å; L889-F950 HydrophobicContact CG-CE1 4.27Å; L889-F950 HydrophobicContact CG-CG 4.36Å |
| 890 | K | 84.7 | Confident | 84.8 | Confident | 179 Ų | 179 | 63 Ų | 63 | 78% | 0.778 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.2 | 170.6 | -71.3 | 177.5 | -178.2 | -175.3 | 0 | 114.3 | N886 G888 | N886-K890 WeakPolarHBondContact O-CG 3.45Å; G888-K890 PolarHBondContact O-N 3.27Å; G888-K890 VanDerWaalsContact O-N 3.16Å |
| 891 | V | 83.1 | Confident | 84.8 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 58% | 0.576 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | -22.9 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | G888 L889 | G888-V891 PolarHBondContact O-N 2.85Å; L889-V891 VanDerWaalsContact C-N 3.29Å |
| 892 | L | 81.1 | Confident | 84.7 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -88.4 | 158.3 | 178.2 | -65.5 | 171.8 | 0 | 0 | 0 | 111.9 | G888 I898 L918 M922 F950 | G888-L892 PolarHBondContact O-N 3.31Å; G888-L892 VanDerWaalsContact O-N 3.16Å; L892-I898 HydrophobicContact CB-CD1 3.88Å; L892-I898 HydrophobicContact CD1-CD1 4.28Å; L892-L918 HydrophobicContact CD1-CD2 3.9Å; L892-L918 HydrophobicContact CD1-CG 4.13Å; L892-L918 HydrophobicContact CD2-CG 4.43Å; L892-M922 HydrophobicContact CD1-CG 4.19Å; L892-M922 HydrophobicContact CD1-SD 4.49Å; L892-F950 HydrophobicContact CD1-CZ 4.28Å |
| 893 | P | 78.7 | Confident | 84.5 | Confident | 29 Ų | 29 | 56 Ų | 56 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 167.9 | 170.3 | -22.7 | 32.9 | 0 | 0 | 0 | 113.3 | T897 I898 I909 I910 | P893-T897 WeakPolarHBondContact CB-OG1 3.23Å; P893-I898 HydrophobicContact CB-CG1 4.34Å; P893-I898 VanDerWaalsContact O-CD1 3.32Å; P893-I898 WeakPolarHBondContact O-CD1 3.48Å; P893-I909 HydrophobicContact CB-CG2 4.3Å; P893-I909 HydrophobicContact CG-CG2 4.11Å; P893-I909 WeakPolarHBondContact CG-O 3.48Å; P893-I910 HydrophobicContact CG-CG1 4.36Å |
| 894 | P | 78.1 | Confident | 84.3 | Confident | 88 Ų | 88 | 59 Ų | 59 | 57% | 0.571 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 135 | 175.9 | -27.8 | 35.9 | 0 | 0 | 0 | 112.7 | R896 T897 I898 | P894-R896 PolarHBondContact O-N 2.91Å; P894-T897 PolarHBondContact O-N 3.4Å; P894-T897 PolarHBondContact O-OG1 2.92Å; P894-I898 PolarHBondContact O-N 2.94Å |
| 895 | P | 74.5 | Confident | 84 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 24% | 0.24 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -47.7 | -33.6 | -173.4 | -35.5 | 37.2 | 0 | 0 | 0 | 116.4 | L889 F950 | L889-P895 HydrophobicContact CD2-CG 4.03Å; P895-F950 HydrophobicContact CB-CD2 3.99Å; P895-F950 HydrophobicContact CB-CE2 4.46Å; P895-F950 HydrophobicContact CG-CD2 4.3Å |
| 896 | R | 77.2 | Confident | 83.7 | Confident | 229 Ų | 229 | 60.5 Ų | 60.5 | 86% | 0.864 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.1 | -28.8 | 178.7 | -62.4 | -176.9 | -178 | 178.7 | 1 | 114.1 | P894 | P894-R896 PolarHBondContact O-N 2.91Å |
| 897 | T | 85.3 | Confident | 83.5 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -81.4 | -29.6 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | P893 P894 S899 S900 A901 | P893-T897 WeakPolarHBondContact CB-OG1 3.23Å; P894-T897 PolarHBondContact O-N 3.4Å; P894-T897 PolarHBondContact O-OG1 2.92Å; T897-S899 PolarHBondContact O-N 3.13Å; T897-S900 PolarHBondContact O-N 3.3Å; T897-A901 PolarHBondContact O-N 3.1Å |
| 898 | I | 86.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.9 | -51.5 | 178.7 | -63.4 | 179.1 | 0 | 0 | 0 | 111 | L892 P893 P894 S900 A901 I902 I910 L918 F950 L954 | L892-I898 HydrophobicContact CB-CD1 3.88Å; L892-I898 HydrophobicContact CD1-CD1 4.28Å; P893-I898 HydrophobicContact CB-CG1 4.34Å; P893-I898 VanDerWaalsContact O-CD1 3.32Å; P893-I898 WeakPolarHBondContact O-CD1 3.48Å; P894-I898 PolarHBondContact O-N 2.94Å; I898-S900 VanDerWaalsContact C-N 3.33Å; I898-S900 PolarHBondContact O-N 2.9Å; I898-A901 WeakPolarHBondContact O-CB 3.2Å; I898-A901 PolarHBondContact O-N 2.86Å; I898-I902 HydrophobicContact CG2-CD1 3.69Å; I898-I902 HydrophobicContact CG2-CG1 4.34Å; I898-I902 WeakPolarHBondContact O-CG1 3.29Å; I898-I902 PolarHBondContact O-N 2.71Å; I898-I910 HydrophobicContact CB-CD1 4.36Å; I898-I910 HydrophobicContact CG1-CD1 4.44Å; I898-I910 HydrophobicContact CG2-CD1 3.9Å; I898-L918 HydrophobicContact CG2-CD1 4.31Å; I898-L918 HydrophobicContact CG2-CD2 4.47Å; I898-F950 HydrophobicContact CD1-CE2 3.68Å; I898-F950 HydrophobicContact CD1-CZ 3.84Å; I898-F950 HydrophobicContact CG2-CE2 4.5Å; I898-L954 HydrophobicContact CG2-CD2 4.07Å |
| 899 | S | 85.6 | Confident | 83.1 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -36.9 | -178.5 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | T897 L903 T953 | T897-S899 PolarHBondContact O-N 3.13Å; S899-L903 WeakPolarHBondContact O-CG 3.27Å; S899-L903 PolarHBondContact O-N 3.31Å; S899-T953 PolarHBondContact OG-O 3.27Å |
| 900 | S | 85.7 | Confident | 83 | Confident | 44 Ų | 44 | 66 Ų | 66 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.9 | -29.8 | 173.3 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | T897 I898 K904 | T897-S900 PolarHBondContact O-N 3.3Å; I898-S900 VanDerWaalsContact C-N 3.33Å; I898-S900 PolarHBondContact O-N 2.9Å; S900-K904 WeakPolarHBondContact O-CB 3.22Å; S900-K904 WeakPolarHBondContact O-CD 3.4Å; S900-K904 VanDerWaalsContact O-CG 3.29Å; S900-K904 WeakPolarHBondContact O-CG 3.47Å; S900-K904 PolarHBondContact O-N 3.45Å; S900-K904 WeakPolarHBondContact OG-CE 3.46Å; S900-K904 PolarHBondContact OG-NZ 3.46Å |
| 901 | A | 87.6 | Confident | 83 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.1 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T897 I898 L903 K904 M905 D906 I909 I910 W967 | T897-A901 PolarHBondContact O-N 3.1Å; I898-A901 WeakPolarHBondContact O-CB 3.2Å; I898-A901 PolarHBondContact O-N 2.86Å; A901-L903 VanDerWaalsContact C-N 3.35Å; A901-L903 PolarHBondContact O-N 3.37Å; A901-K904 CarbonylContact O-C 3.6Å; A901-K904 PolarHBondContact O-N 3.1Å; A901-K904 VanDerWaalsContact O-N 3.12Å; A901-M905 WeakPolarHBondContact O-CA 3.4Å; A901-M905 PolarHBondContact O-N 3.39Å; A901-D906 HydrophobicContact CB-CB 4.44Å; A901-D906 PolarHBondContact O-N 3.47Å; A901-D906 VanDerWaalsContact O-N 3.1Å; A901-I909 HydrophobicContact CB-CB 3.77Å; A901-I909 HydrophobicContact CB-CD1 4.12Å; A901-I909 HydrophobicContact CB-CG2 3.78Å; A901-I910 HydrophobicContact CB-CD1 3.85Å; A901-I910 HydrophobicContact CB-CG1 3.8Å; A901-W967 HydrophobicContact CB-CH2 4.26Å |
| 902 | I | 88.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 175.8 | -64.2 | 169.8 | 0 | 0 | 0 | 111.3 | I898 K904 M905 I910 L918 L954 I957 L960 R963 L964 W967 | I898-I902 HydrophobicContact CG2-CD1 3.69Å; I898-I902 HydrophobicContact CG2-CG1 4.34Å; I898-I902 WeakPolarHBondContact O-CG1 3.29Å; I898-I902 PolarHBondContact O-N 2.71Å; I902-K904 PolarHBondContact O-N 3.12Å; I902-M905 PolarHBondContact O-N 3.45Å; I902-I910 HydrophobicContact CG1-CD1 4.21Å; I902-L918 HydrophobicContact CD1-CD1 4.3Å; I902-L954 HydrophobicContact CD1-CD2 4.09Å; I902-I957 HydrophobicContact CB-CD1 4.37Å; I902-I957 HydrophobicContact CD1-CD1 3.96Å; I902-I957 HydrophobicContact CG2-CD1 4.41Å; I902-I957 HydrophobicContact CG2-CG2 4.11Å; I902-L960 HydrophobicContact CD1-CD1 3.94Å; I902-L960 HydrophobicContact CG2-CD1 4.25Å; I902-R963 HydrophobicContact CG2-CB 4.21Å; I902-L964 HydrophobicContact CD1-CD2 4.02Å; I902-L964 HydrophobicContact CG1-CD2 3.98Å; I902-L964 HydrophobicContact CG2-CD2 4.47Å; I902-W967 HydrophobicContact CB-CZ3 4.46Å; I902-W967 HydrophobicContact CG1-CZ3 4.05Å |
| 903 | L | 85.3 | Confident | 83.4 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.9 | -20.7 | 177.4 | -72.5 | 172.6 | 0 | 0 | 0 | 114 | S899 A901 I957 | S899-L903 WeakPolarHBondContact O-CG 3.27Å; S899-L903 PolarHBondContact O-N 3.31Å; A901-L903 VanDerWaalsContact C-N 3.35Å; A901-L903 PolarHBondContact O-N 3.37Å; L903-I957 HydrophobicContact CD2-CG2 4.17Å |
| 904 | K | 84.1 | Confident | 83.8 | Confident | 142 Ų | 142 | 65.2 Ų | 65.2 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -105 | -12 | 179.5 | -69.5 | 172 | -178 | 161.5 | 0 | 114.1 | S900 A901 I902 D906 | S900-K904 WeakPolarHBondContact O-CB 3.22Å; S900-K904 WeakPolarHBondContact O-CD 3.4Å; S900-K904 VanDerWaalsContact O-CG 3.29Å; S900-K904 WeakPolarHBondContact O-CG 3.47Å; S900-K904 PolarHBondContact O-N 3.45Å; S900-K904 WeakPolarHBondContact OG-CE 3.46Å; S900-K904 PolarHBondContact OG-NZ 3.46Å; A901-K904 CarbonylContact O-C 3.6Å; A901-K904 PolarHBondContact O-N 3.1Å; A901-K904 VanDerWaalsContact O-N 3.12Å; I902-K904 PolarHBondContact O-N 3.12Å; K904-D906 VanDerWaalsContact C-N 3.28Å; K904-D906 HydrophobicContact CB-CB 4.07Å; K904-D906 PolarHBondContact O-N 3.26Å |
| 905 | M | 83 | Confident | 84.4 | Confident | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.108 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 47 | -164 | -62 | -176 | 174.8 | 0 | 0 | 112.4 | A901 I902 H907 R963 L966 W967 L1112 | A901-M905 WeakPolarHBondContact O-CA 3.4Å; A901-M905 PolarHBondContact O-N 3.39Å; I902-M905 PolarHBondContact O-N 3.45Å; M905-H907 PolarHBondContact O-N 3.43Å; M905-R963 WeakPolarHBondContact CE-O 3.36Å; M905-L966 HydrophobicContact CE-CB 4.3Å; M905-L966 HydrophobicContact CE-CD2 4.03Å; M905-L966 HydrophobicContact CE-CG 4.02Å; M905-W967 VanDerWaalsContact C-CZ2 3.47Å; M905-W967 HydrophobicContact CB-CD2 3.95Å; M905-W967 HydrophobicContact CB-CG 3.9Å; M905-W967 HydrophobicContact CE-CB 4.15Å; M905-W967 HydrophobicContact CG-CB 4.03Å; M905-W967 HydrophobicContact CG-CD2 4.07Å; M905-W967 HydrophobicContact CG-CE3 4.49Å; M905-W967 HydrophobicContact CG-CG 3.84Å; M905-W967 HydrophobicContact SD-CB 4.05Å; M905-W967 HydrophobicContact SD-CG 4.32Å; M905-L1112 HydrophobicContact SD-CD2 4.12Å |
| 906 | D | 83.1 | Confident | 85 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | trans | -86.3 | 94.1 | -172.6 | -165.3 | -20.2 | 0 | 0 | 0 | 112.6 | A901 K904 S908 I909 I910 W967 | A901-D906 HydrophobicContact CB-CB 4.44Å; A901-D906 PolarHBondContact O-N 3.47Å; A901-D906 VanDerWaalsContact O-N 3.1Å; K904-D906 VanDerWaalsContact C-N 3.28Å; K904-D906 HydrophobicContact CB-CB 4.07Å; K904-D906 PolarHBondContact O-N 3.26Å; D906-S908 PolarHBondContact O-N 3.47Å; D906-S908 VanDerWaalsContact O-N 3.14Å; D906-S908 WeakPolarHBondContact OD1-CB 3.22Å; D906-S908 PolarHBondContact OD1-N 2.93Å; D906-S908 PolarHBondContact OD1-OG 3.4Å; D906-I909 HydrophobicContact CB-CD1 4.21Å; D906-I909 HydrophobicContact CB-CG1 4.42Å; D906-I909 PolarHBondContact O-N 3.28Å; D906-I909 VanDerWaalsContact O-N 3.08Å; D906-I910 PolarHBondContact O-N 3Å; D906-W967 VanDerWaalsContact C-CZ2 3.41Å; D906-W967 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 907 | H | 82.7 | Confident | 85.5 | Confident | 136 Ų | 136 | 53.9 Ų | 53.9 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -10.5 | 179.2 | 68.7 | -85.8 | 0 | 0 | 0 | 114.4 | M905 I909 L971 | M905-H907 PolarHBondContact O-N 3.43Å; H907-I909 VanDerWaalsContact C-N 3.32Å; H907-L971 HydrophobicContact CB-CD2 4.18Å |
| 908 | S | 82.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 51.2 Ų | 51.2 | 66% | 0.657 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.4 | 173.6 | 74.3 | 0 | 0 | 0 | 0 | 113 | D906 | D906-S908 PolarHBondContact O-N 3.47Å; D906-S908 VanDerWaalsContact O-N 3.14Å; D906-S908 WeakPolarHBondContact OD1-CB 3.22Å; D906-S908 PolarHBondContact OD1-N 2.93Å; D906-S908 PolarHBondContact OD1-OG 3.4Å |
| 909 | I | 82.7 | Confident | 85.8 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 29% | 0.292 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -43.6 | -178.5 | -55.9 | 174.6 | 0 | 0 | 0 | 111.2 | P893 A901 D906 H907 | P893-I909 HydrophobicContact CB-CG2 4.3Å; P893-I909 HydrophobicContact CG-CG2 4.11Å; P893-I909 WeakPolarHBondContact CG-O 3.48Å; A901-I909 HydrophobicContact CB-CB 3.77Å; A901-I909 HydrophobicContact CB-CD1 4.12Å; A901-I909 HydrophobicContact CB-CG2 3.78Å; D906-I909 HydrophobicContact CB-CD1 4.21Å; D906-I909 HydrophobicContact CB-CG1 4.42Å; D906-I909 PolarHBondContact O-N 3.28Å; D906-I909 VanDerWaalsContact O-N 3.08Å; H907-I909 VanDerWaalsContact C-N 3.32Å |
| 910 | I | 83.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -122.9 | 126.2 | 176.5 | -42.5 | 179.2 | 0 | 0 | 0 | 109.6 | P893 I898 A901 I902 D906 I915 L918 W967 | P893-I910 HydrophobicContact CG-CG1 4.36Å; I898-I910 HydrophobicContact CB-CD1 4.36Å; I898-I910 HydrophobicContact CG1-CD1 4.44Å; I898-I910 HydrophobicContact CG2-CD1 3.9Å; A901-I910 HydrophobicContact CB-CD1 3.85Å; A901-I910 HydrophobicContact CB-CG1 3.8Å; I902-I910 HydrophobicContact CG1-CD1 4.21Å; D906-I910 PolarHBondContact O-N 3Å; I910-I915 HydrophobicContact CB-CG1 4.5Å; I910-I915 HydrophobicContact CG2-CG1 3.99Å; I910-L918 HydrophobicContact CD1-CD1 4.11Å; I910-W967 HydrophobicContact CB-CH2 3.8Å; I910-W967 HydrophobicContact CB-CZ2 4.49Å; I910-W967 HydrophobicContact CB-CZ3 4.46Å; I910-W967 HydrophobicContact CD1-CH2 4.12Å; I910-W967 HydrophobicContact CD1-CZ3 4.15Å; I910-W967 HydrophobicContact CG1-CH2 4.11Å |
| 911 | N | 84.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 57.1 Ų | 57.1 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | trans | -78.5 | 169.1 | 173.4 | 58.3 | -33.7 | 0 | 0 | 0 | 112.5 | E913 G914 I915 | N911-E913 VanDerWaalsContact C-N 3.34Å; N911-E913 PolarHBondContact ND2-OE2 3.24Å; N911-E913 PolarHBondContact O-N 3.05Å; N911-G914 WeakPolarHBondContact O-CA 3.43Å; N911-G914 PolarHBondContact O-N 2.86Å; N911-G914 PolarHBondContact OD1-N 3.01Å; N911-I915 PolarHBondContact O-N 3.43Å; N911-I915 VanDerWaalsContact O-N 3.1Å | ||
| 912 | R | 87 | Confident | 85.5 | Confident | 113 Ų | 113 | 57.1 Ų | 57.1 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -50.9 | -51.2 | 176.2 | -178.2 | -172.9 | 171 | -124.7 | -18.4 | 111.9 | G914 I915 E916 L968 D972 | R912-G914 PolarHBondContact O-N 3.16Å; R912-I915 PolarHBondContact O-N 3.5Å; R912-E916 IonicContact CZ-OE1 3.94Å; R912-E916 IonicContact NE-OE1 2.66Å; R912-E916 IonicContact NH2-OE1 3.2Å; R912-E916 PolarHBondContact NH2-OE1 3.18Å; R912-E916 IonicContact NH2-OE2 3.25Å; R912-E916 PolarHBondContact O-N 2.73Å; R912-L968 HydrophobicContact CG-CD1 3.77Å; R912-D972 WeakPolarHBondContact CD-OD1 3.41Å; R912-D972 WeakPolarHBondContact CG-OD1 3.4Å; R912-D972 IonicContact CZ-OD2 2.77Å; R912-D972 IonicContact NE-OD1 3.58Å; R912-D972 PolarHBondContact NE-OD1 2.91Å; R912-D972 IonicContact NE-OD2 2.76Å; R912-D972 PolarHBondContact NE-OD2 3.27Å; R912-D972 IonicContact NH2-OD2 2.72Å; R912-D972 PolarHBondContact NH2-OD2 3.18Å |
| 913 | E | 86.4 | Confident | 85.5 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -31.3 | -178.7 | -54.3 | 87.7 | 162 | 0 | 0 | 111.9 | N911 K917 | N911-E913 VanDerWaalsContact C-N 3.34Å; N911-E913 PolarHBondContact ND2-OE2 3.24Å; N911-E913 PolarHBondContact O-N 3.05Å; E913-K917 WeakPolarHBondContact O-CB 3.47Å; E913-K917 PolarHBondContact O-N 3.36Å |
| 914 | G | 86.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N911 R912 L918 | N911-G914 WeakPolarHBondContact O-CA 3.43Å; N911-G914 PolarHBondContact O-N 2.86Å; N911-G914 PolarHBondContact OD1-N 3.01Å; R912-G914 PolarHBondContact O-N 3.16Å; G914-L918 WeakPolarHBondContact O-CB 3.35Å; G914-L918 VanDerWaalsContact O-CG 3.25Å; G914-L918 WeakPolarHBondContact O-CG 3.43Å; G914-L918 PolarHBondContact O-N 2.87Å |
| 915 | I | 89.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 176.5 | -62.8 | 158.8 | 0 | 0 | 0 | 110.7 | I910 N911 R912 K917 L918 L919 L964 W967 L968 L971 | I910-I915 HydrophobicContact CB-CG1 4.5Å; I910-I915 HydrophobicContact CG2-CG1 3.99Å; N911-I915 PolarHBondContact O-N 3.43Å; N911-I915 VanDerWaalsContact O-N 3.1Å; R912-I915 PolarHBondContact O-N 3.5Å; I915-K917 VanDerWaalsContact C-N 3.33Å; I915-K917 PolarHBondContact O-N 2.83Å; I915-L918 WeakPolarHBondContact O-CB 3.49Å; I915-L918 PolarHBondContact O-N 3.14Å; I915-L919 HydrophobicContact CG2-CD1 4.19Å; I915-L919 WeakPolarHBondContact O-CG 3.23Å; I915-L919 PolarHBondContact O-N 3.02Å; I915-L964 HydrophobicContact CG2-CB 4.36Å; I915-L964 HydrophobicContact CG2-CD2 4.11Å; I915-W967 HydrophobicContact CD1-CD2 3.55Å; I915-W967 HydrophobicContact CD1-CE3 3.85Å; I915-W967 HydrophobicContact CD1-CG 3.98Å; I915-W967 HydrophobicContact CD1-CH2 4.15Å; I915-W967 HydrophobicContact CD1-CZ2 3.84Å; I915-W967 HydrophobicContact CD1-CZ3 4.14Å; I915-W967 HydrophobicContact CG1-CD2 4.28Å; I915-W967 HydrophobicContact CG1-CE3 4.07Å; I915-W967 HydrophobicContact CG1-CH2 4.42Å; I915-W967 HydrophobicContact CG1-CZ3 4.15Å; I915-L968 HydrophobicContact CG2-CB 3.92Å; I915-L968 HydrophobicContact CG2-CD1 4.45Å; I915-L971 HydrophobicContact CD1-CD1 3.47Å; I915-L971 VanDerWaalsContact CD1-CD1 3.47Å |
| 916 | E | 88.1 | Confident | 85.7 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 174.4 | -70.2 | -172.8 | 146.9 | 0 | 0 | 112.1 | R912 L919 T920 L968 | R912-E916 IonicContact CZ-OE1 3.94Å; R912-E916 IonicContact NE-OE1 2.66Å; R912-E916 IonicContact NH2-OE1 3.2Å; R912-E916 PolarHBondContact NH2-OE1 3.18Å; R912-E916 IonicContact NH2-OE2 3.25Å; R912-E916 PolarHBondContact O-N 2.73Å; E916-L919 PolarHBondContact O-N 3.37Å; E916-T920 WeakPolarHBondContact O-CB 3.47Å; E916-T920 WeakPolarHBondContact O-CG2 3.22Å; E916-T920 PolarHBondContact O-N 2.86Å; E916-T920 PolarHBondContact O-OG1 3.36Å; E916-L968 HydrophobicContact CG-CD1 3.75Å; E916-L968 HydrophobicContact CG-CD2 3.85Å; E916-L968 HydrophobicContact CG-CG 4.49Å |
| 917 | K | 86.5 | Confident | 85.9 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 23% | 0.226 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.9 | -35.5 | 176.6 | -163 | 173.3 | -162.2 | -179.6 | 0 | 112.4 | E913 I915 T921 M922 | E913-K917 WeakPolarHBondContact O-CB 3.47Å; E913-K917 PolarHBondContact O-N 3.36Å; I915-K917 VanDerWaalsContact C-N 3.33Å; I915-K917 PolarHBondContact O-N 2.83Å; K917-T921 WeakPolarHBondContact O-CB 3.45Å; K917-T921 PolarHBondContact O-N 2.76Å; K917-M922 PolarHBondContact O-N 1.77Å |
| 918 | L | 89.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -61.1 | -48.6 | 170.9 | -77.1 | 164.8 | 0 | 0 | 0 | 111 | L892 I898 I902 I910 G914 I915 M922 L923 F950 L954 L964 | L892-L918 HydrophobicContact CD1-CD2 3.9Å; L892-L918 HydrophobicContact CD1-CG 4.13Å; L892-L918 HydrophobicContact CD2-CG 4.43Å; I898-L918 HydrophobicContact CG2-CD1 4.31Å; I898-L918 HydrophobicContact CG2-CD2 4.47Å; I902-L918 HydrophobicContact CD1-CD1 4.3Å; I910-L918 HydrophobicContact CD1-CD1 4.11Å; G914-L918 WeakPolarHBondContact O-CB 3.35Å; G914-L918 VanDerWaalsContact O-CG 3.25Å; G914-L918 WeakPolarHBondContact O-CG 3.43Å; G914-L918 PolarHBondContact O-N 2.87Å; I915-L918 WeakPolarHBondContact O-CB 3.49Å; I915-L918 PolarHBondContact O-N 3.14Å; L918-M922 HydrophobicContact CD2-CB 3.99Å; L918-M922 HydrophobicContact CD2-CG 4.1Å; L918-M922 CarbonylContact O-C 3.55Å; L918-M922 PolarHBondContact O-N 2.52Å; L918-L923 PolarHBondContact O-N 2.51Å; L918-F950 HydrophobicContact CD2-CE1 4.45Å; L918-F950 HydrophobicContact CD2-CZ 3.88Å; L918-L954 HydrophobicContact CD2-CD1 4.09Å; L918-L954 HydrophobicContact CD2-CD2 4.4Å; L918-L964 HydrophobicContact CB-CD1 4.07Å; L918-L964 HydrophobicContact CB-CD2 4.41Å; L918-L964 HydrophobicContact CD1-CD2 4.03Å |
| 919 | L | 89.7 | Confident | 86.3 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -65.3 | -45.8 | -180 | -76.6 | 167.7 | 0 | 0 | 0 | 113.7 | I915 E916 L923 L964 E965 L968 | I915-L919 HydrophobicContact CG2-CD1 4.19Å; I915-L919 WeakPolarHBondContact O-CG 3.23Å; I915-L919 PolarHBondContact O-N 3.02Å; E916-L919 PolarHBondContact O-N 3.37Å; L919-L923 HydrophobicContact CD2-CD1 4.11Å; L919-L964 HydrophobicContact CD1-CB 4.16Å; L919-L964 HydrophobicContact CD2-CB 3.59Å; L919-L964 HydrophobicContact CD2-CD1 4.13Å; L919-L964 HydrophobicContact CG-CB 3.82Å; L919-L964 HydrophobicContact CG-CD1 4.31Å; L919-E965 HydrophobicContact CD1-CG 4.24Å; L919-E965 HydrophobicContact CD2-CG 3.78Å; L919-L968 HydrophobicContact CD1-CB 4.48Å; L919-L968 HydrophobicContact CD1-CD2 3.84Å |
| 920 | T | 86.5 | Confident | 86.5 | Confident | 112 Ų | 112 | 57.6 Ų | 57.6 | 69% | 0.687 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -82.2 | -32.7 | -174.6 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | E916 | E916-T920 WeakPolarHBondContact O-CB 3.47Å; E916-T920 WeakPolarHBondContact O-CG2 3.22Å; E916-T920 PolarHBondContact O-N 2.86Å; E916-T920 PolarHBondContact O-OG1 3.36Å |
| 921 | T | 82.5 | Confident | 86.7 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -125.4 | -27.3 | -165.2 | -39.8 | 0 | 0 | 0 | 0 | 114.1 | R881 A884 K917 | R881-T921 PolarHBondContact NH1-O 2.88Å; A884-T921 HydrophobicContact CB-CG2 4.19Å; K917-T921 WeakPolarHBondContact O-CB 3.45Å; K917-T921 PolarHBondContact O-N 2.76Å |
| 922 | M | 83.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -108.5 | -4.4 | -172.5 | -48.1 | -74.1 | 115.1 | 0 | 0 | 114.6 | A884 I885 L892 K917 L918 P924 F950 L951 L954 | A884-M922 WeakPolarHBondContact O-CE 3.22Å; I885-M922 HydrophobicContact CB-SD 4.29Å; I885-M922 HydrophobicContact CG1-CE 4.46Å; I885-M922 HydrophobicContact CG1-SD 4.27Å; I885-M922 HydrophobicContact CG2-SD 4.11Å; L892-M922 HydrophobicContact CD1-CG 4.19Å; L892-M922 HydrophobicContact CD1-SD 4.49Å; K917-M922 PolarHBondContact O-N 1.77Å; L918-M922 HydrophobicContact CD2-CB 3.99Å; L918-M922 HydrophobicContact CD2-CG 4.1Å; L918-M922 CarbonylContact O-C 3.55Å; L918-M922 PolarHBondContact O-N 2.52Å; M922-P924 WeakPolarHBondContact O-CD 3.2Å; M922-F950 HydrophobicContact CB-CE1 4Å; M922-F950 HydrophobicContact CG-CE1 4.08Å; M922-F950 HydrophobicContact SD-CE1 3.91Å; M922-L951 VanDerWaalsContact O-CD2 3.26Å; M922-L951 WeakPolarHBondContact O-CD2 3.22Å; M922-L954 HydrophobicContact CB-CD1 4.35Å |
| 923 | L | 88 | Confident | 86.7 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -66 | 119.8 | -172.3 | -157.6 | 151.8 | 0 | 0 | 0 | 109.7 | R881 L918 L919 K961 | R881-L923 PolarHBondContact NH2-O 3.44Å; L918-L923 PolarHBondContact O-N 2.51Å; L919-L923 HydrophobicContact CD2-CD1 4.11Å; L923-K961 HydrophobicContact CD1-CB 4.04Å; L923-K961 HydrophobicContact CD1-CD 4.08Å; L923-K961 HydrophobicContact CD1-CG 4.06Å |
| 924 | P | 86.3 | Confident | 86.7 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 137 | -178.2 | 28.6 | -33.7 | 0 | 0 | 0 | 110.7 | M922 L951 L954 L960 | M922-P924 WeakPolarHBondContact O-CD 3.2Å; P924-L951 HydrophobicContact CB-CB 4.14Å; P924-L951 HydrophobicContact CB-CD2 4.12Å; P924-L951 HydrophobicContact CB-CG 4.48Å; P924-L954 HydrophobicContact CG-CB 4.24Å; P924-L960 HydrophobicContact CG-CD2 4.05Å |
| 925 | T | 87.5 | Confident | 86.6 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 159.7 | 166.4 | 74.7 | 0 | 0 | 0 | 0 | 111 | E927 E928 C929 | T925-E927 VanDerWaalsContact C-N 3.33Å; T925-E928 PolarHBondContact N-OE2 2.89Å; T925-E928 PolarHBondContact O-N 3.09Å; T925-E928 WeakPolarHBondContact OG1-CB 3.21Å; T925-E928 VanDerWaalsContact OG1-CG 3.26Å; T925-E928 WeakPolarHBondContact OG1-CG 3.16Å; T925-E928 PolarHBondContact OG1-N 3.3Å; T925-C929 PolarHBondContact O-N 3.21Å; T925-C929 PolarHBondContact O-SG 3.21Å |
| 926 | D | 83.8 | Confident | 86.3 | Confident | 133 Ų | 133 | 62.5 Ų | 62.5 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 175.3 | -56.8 | -52.5 | 0 | 0 | 0 | 110.6 | E928 C929 E930 | D926-E928 PolarHBondContact O-N 3.23Å; D926-C929 WeakPolarHBondContact O-CB 3.19Å; D926-C929 PolarHBondContact O-N 2.87Å; D926-C929 VanDerWaalsContact O-N 3.13Å; D926-E930 WeakPolarHBondContact O-CG 3.28Å; D926-E930 PolarHBondContact O-N 3.23Å |
| 927 | E | 85.9 | Confident | 86 | Confident | 161 Ų | 161 | 63.2 Ų | 63.2 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.6 | -43.3 | 173.8 | -62.6 | 178.6 | 178.1 | 0 | 0 | 112.8 | T925 A931 | T925-E927 VanDerWaalsContact C-N 3.33Å; E927-A931 VanDerWaalsContact O-CB 3.22Å; E927-A931 WeakPolarHBondContact O-CB 3.45Å; E927-A931 PolarHBondContact O-N 3.25Å |
| 928 | E | 88.1 | Confident | 85.8 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175 | -75.5 | 174.3 | 145.9 | 0 | 0 | 111.4 | L877 R881 T925 D926 I932 L951 | L877-E928 HydrophobicContact CD2-CB 4.26Å; L877-E928 HydrophobicContact CD2-CG 3.79Å; L877-E928 WeakPolarHBondContact CD2-OE1 3.34Å; R881-E928 IonicContact CZ-OE1 2.78Å; R881-E928 VanDerWaalsContact CZ-OE1 3.32Å; R881-E928 IonicContact CZ-OE2 3.77Å; R881-E928 IonicContact NE-OE1 3.2Å; R881-E928 PolarHBondContact NE-OE1 3.24Å; R881-E928 IonicContact NE-OE2 2.62Å; R881-E928 VanDerWaalsContact NH2-CD 3.3Å; R881-E928 IonicContact NH2-OE1 3.68Å; R881-E928 PolarHBondContact NH2-OE1 3.44Å; R881-E928 VanDerWaalsContact NH2-OE1 3.09Å; R881-E928 IonicContact NH2-OE2 2.61Å; R881-E928 PolarHBondContact NH2-OE2 3.38Å; T925-E928 PolarHBondContact N-OE2 2.89Å; T925-E928 PolarHBondContact O-N 3.09Å; T925-E928 WeakPolarHBondContact OG1-CB 3.21Å; T925-E928 VanDerWaalsContact OG1-CG 3.26Å; T925-E928 WeakPolarHBondContact OG1-CG 3.16Å; T925-E928 PolarHBondContact OG1-N 3.3Å; D926-E928 PolarHBondContact O-N 3.23Å; E928-I932 WeakPolarHBondContact O-CB 3.48Å; E928-I932 WeakPolarHBondContact O-CD1 3.36Å; E928-I932 WeakPolarHBondContact O-CG1 3.36Å; E928-I932 PolarHBondContact O-N 3.07Å; E928-L951 HydrophobicContact CB-CD1 4.31Å |
| 929 | C | 85.2 | Confident | 84.8 | Confident | 13 Ų | 13 | 71 Ų | 71 | 9% | 0.088 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 178.3 | -68.7 | 0 | 0 | 0 | 0 | 111.6 | T925 D926 I932 M933 S955 | T925-C929 PolarHBondContact O-N 3.21Å; T925-C929 PolarHBondContact O-SG 3.21Å; D926-C929 WeakPolarHBondContact O-CB 3.19Å; D926-C929 PolarHBondContact O-N 2.87Å; D926-C929 VanDerWaalsContact O-N 3.13Å; C929-I932 PolarHBondContact O-N 3.36Å; C929-M933 WeakPolarHBondContact O-CB 3.48Å; C929-M933 VanDerWaalsContact O-CG 3.28Å; C929-M933 WeakPolarHBondContact O-CG 3.47Å; C929-M933 PolarHBondContact O-N 3.1Å; C929-S955 VanDerWaalsContact SG-CB 3.51Å |
| 930 | E | 87.1 | Confident | 83.8 | Confident | 143 Ų | 143 | 76.6 Ų | 76.6 | 67% | 0.668 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 176.3 | -73 | -173.8 | -176 | 0 | 0 | 111.5 | D926 I932 M933 K934 | D926-E930 WeakPolarHBondContact O-CG 3.28Å; D926-E930 PolarHBondContact O-N 3.23Å; E930-I932 PolarHBondContact O-N 3.44Å; E930-M933 PolarHBondContact O-N 3.44Å; E930-K934 WeakPolarHBondContact O-CB 3.22Å; E930-K934 PolarHBondContact O-N 3.42Å |
| 931 | A | 87.7 | Confident | 83 | Confident | 43 Ų | 43 | 74.9 Ų | 74.9 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V876 E927 K934 A935 | V876-A931 HydrophobicContact CG1-CB 3.9Å; E927-A931 VanDerWaalsContact O-CB 3.22Å; E927-A931 WeakPolarHBondContact O-CB 3.45Å; E927-A931 PolarHBondContact O-N 3.25Å; A931-K934 PolarHBondContact O-N 3.39Å; A931-A935 VanDerWaalsContact O-CB 3.27Å; A931-A935 WeakPolarHBondContact O-CB 3.09Å; A931-A935 PolarHBondContact O-N 3.01Å |
| 932 | I | 86.8 | Confident | 82.6 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 177.7 | -68.4 | 162.9 | 0 | 0 | 0 | 111.2 | V876 L877 E928 C929 E930 K936 L944 E948 L951 V952 | V876-I932 HydrophobicContact CB-CG1 4.08Å; V876-I932 HydrophobicContact CG1-CG1 4.26Å; V876-I932 HydrophobicContact CG2-CG1 4.36Å; L877-I932 HydrophobicContact CD1-CD1 4.45Å; L877-I932 HydrophobicContact CD2-CD1 4.26Å; L877-I932 HydrophobicContact CG-CD1 4.31Å; E928-I932 WeakPolarHBondContact O-CB 3.48Å; E928-I932 WeakPolarHBondContact O-CD1 3.36Å; E928-I932 WeakPolarHBondContact O-CG1 3.36Å; E928-I932 PolarHBondContact O-N 3.07Å; C929-I932 PolarHBondContact O-N 3.36Å; E930-I932 PolarHBondContact O-N 3.44Å; I932-K936 VanDerWaalsContact O-CB 3.23Å; I932-K936 WeakPolarHBondContact O-CB 3.32Å; I932-K936 PolarHBondContact O-N 3.11Å; I932-L944 HydrophobicContact CG2-CD1 3.95Å; I932-L944 HydrophobicContact CG2-CD2 3.87Å; I932-E948 HydrophobicContact CD1-CB 4.01Å; I932-E948 HydrophobicContact CD1-CG 3.93Å; I932-E948 HydrophobicContact CG1-CB 4.19Å; I932-E948 HydrophobicContact CG1-CG 3.9Å; I932-E948 HydrophobicContact CG2-CB 4.12Å; I932-L951 HydrophobicContact CD1-CB 4.3Å; I932-L951 HydrophobicContact CD1-CD1 4.16Å; I932-V952 HydrophobicContact CB-CG2 4.4Å; I932-V952 HydrophobicContact CG2-CG2 3.57Å |
| 933 | M | 84.6 | Confident | 82.4 | Confident | 107 Ų | 107 | 80.5 Ų | 80.5 | 53% | 0.527 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.8 | -71.5 | -171.4 | -165 | 0 | 0 | 112 | C929 E930 K936 A937 | C929-M933 WeakPolarHBondContact O-CB 3.48Å; C929-M933 VanDerWaalsContact O-CG 3.28Å; C929-M933 WeakPolarHBondContact O-CG 3.47Å; C929-M933 PolarHBondContact O-N 3.1Å; E930-M933 PolarHBondContact O-N 3.44Å; M933-K936 PolarHBondContact O-N 3.35Å; M933-A937 PolarHBondContact O-N 3.16Å |
| 934 | K | 86.6 | Confident | 82.1 | Confident | 126 Ų | 126 | 79.7 Ų | 79.7 | 55% | 0.548 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 176 | -175.8 | 173.3 | -179 | -67.4 | 0 | 111.7 | E930 A931 K936 A937 E938 | E930-K934 WeakPolarHBondContact O-CB 3.22Å; E930-K934 PolarHBondContact O-N 3.42Å; A931-K934 PolarHBondContact O-N 3.39Å; K934-K936 VanDerWaalsContact C-N 3.29Å; K934-K936 PolarHBondContact O-N 2.97Å; K934-A937 PolarHBondContact O-N 3.06Å; K934-A937 VanDerWaalsContact O-N 3.1Å; K934-E938 WeakPolarHBondContact CE-OE1 3.39Å; K934-E938 IonicContact NZ-OE1 2.71Å; K934-E938 PolarHBondContact NZ-OE1 2.86Å; K934-E938 IonicContact NZ-OE2 2.65Å; K934-E938 WeakPolarHBondContact O-CG 3.49Å; K934-E938 PolarHBondContact O-N 3.19Å |
| 935 | A | 84.4 | Confident | 82 | Confident | 12 Ų | 12 | 79.1 Ų | 79.1 | 10% | 0.099 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I874 V876 A931 E938 Q939 | I874-A935 HydrophobicContact CG2-CB 4.06Å; V876-A935 HydrophobicContact CG1-CB 4.49Å; V876-A935 HydrophobicContact CG2-CB 3.55Å; A931-A935 VanDerWaalsContact O-CB 3.27Å; A931-A935 WeakPolarHBondContact O-CB 3.09Å; A931-A935 PolarHBondContact O-N 3.01Å; A935-E938 PolarHBondContact O-N 3.21Å; A935-Q939 WeakPolarHBondContact O-CB 3.42Å; A935-Q939 PolarHBondContact O-N 3.36Å |
| 936 | K | 83.7 | Confident | 82 | Confident | 117 Ų | 117 | 80.5 Ų | 80.5 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 173.7 | -172.4 | -171.6 | 175 | -165.5 | 0 | 112.6 | I932 M933 K934 L944 | I932-K936 VanDerWaalsContact O-CB 3.23Å; I932-K936 WeakPolarHBondContact O-CB 3.32Å; I932-K936 PolarHBondContact O-N 3.11Å; M933-K936 PolarHBondContact O-N 3.35Å; K934-K936 VanDerWaalsContact C-N 3.29Å; K934-K936 PolarHBondContact O-N 2.97Å; K936-L944 HydrophobicContact CB-CD2 4.4Å; K936-L944 HydrophobicContact CD-CD1 4.48Å |
| 937 | A | 83 | Confident | 82.2 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -75.5 | -28.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | M933 K934 | M933-A937 PolarHBondContact O-N 3.16Å; K934-A937 PolarHBondContact O-N 3.06Å; K934-A937 VanDerWaalsContact O-N 3.1Å |
| 938 | E | 80.6 | Confident | 82.4 | Confident | 127 Ų | 127 | 66.5 Ų | 66.5 | 59% | 0.593 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -79.8 | -27.4 | 176.1 | -73.3 | 173.8 | 177.1 | 0 | 0 | 113.4 | K934 A935 | K934-E938 WeakPolarHBondContact CE-OE1 3.39Å; K934-E938 IonicContact NZ-OE1 2.71Å; K934-E938 PolarHBondContact NZ-OE1 2.86Å; K934-E938 IonicContact NZ-OE2 2.65Å; K934-E938 WeakPolarHBondContact O-CG 3.49Å; K934-E938 PolarHBondContact O-N 3.19Å; A935-E938 PolarHBondContact O-N 3.21Å |
| 939 | Q | 69.5 | Low | 82.4 | Confident | 89 Ų | 89 | 70.3 Ų | 70.3 | 42% | 0.416 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -120.9 | 48.7 | -176.7 | -59.9 | -173.3 | 24.1 | 0 | 0 | 112 | I874 A935 G941 L942 | I874-Q939 HydrophobicContact CD1-CB 3.91Å; I874-Q939 HydrophobicContact CG1-CB 4.3Å; A935-Q939 WeakPolarHBondContact O-CB 3.42Å; A935-Q939 PolarHBondContact O-N 3.36Å; Q939-G941 PolarHBondContact O-N 3.32Å; Q939-L942 HydrophobicContact CB-CD1 4.47Å; Q939-L942 PolarHBondContact O-N 3.34Å |
| 940 | D | 68.3 | Low | 82.6 | Confident | 150 Ų | 150 | 69.7 Ų | 69.7 | 80% | 0.802 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 124 | -176.1 | -150.1 | 2.7 | 0 | 0 | 0 | 111.1 | ||
| 941 | G | 70.6 | Confident | 82.7 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 78% | 0.784 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.1 | -13.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q939 | Q939-G941 PolarHBondContact O-N 3.32Š|
| 942 | L | 73 | Confident | 82.7 | Confident | 82 Ų | 82 | 63 Ų | 63 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -90.6 | 143.4 | 171.6 | -77.7 | 170 | 0 | 0 | 0 | 112 | I874 Q939 | I874-L942 HydrophobicContact CD1-CB 3.85Å; I874-L942 VanDerWaalsContact CD1-O 3.29Å; I874-L942 WeakPolarHBondContact CD1-O 3.27Å; I874-L942 HydrophobicContact CG1-CB 3.49Å; I874-L942 VanDerWaalsContact CG1-CB 3.49Å; Q939-L942 HydrophobicContact CB-CD1 4.47Å; Q939-L942 PolarHBondContact O-N 3.34Å |
| 943 | P | 79.3 | Confident | 82.7 | Confident | 80 Ų | 80 | 65 Ų | 65 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 137 | 175.6 | 30.2 | -33.6 | 0 | 0 | 0 | 111.3 | I874 | I874-P943 PolarHBondContact N-O 2.94Š|
| 944 | L | 83.3 | Confident | 82.9 | Confident | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -57.9 | 149.3 | 167 | -71.1 | 179.1 | 0 | 0 | 0 | 111.5 | I874 I932 K936 E948 Q949 | I874-L944 HydrophobicContact CB-CD2 4.11Å; I874-L944 HydrophobicContact CD1-CD2 4.3Å; I874-L944 HydrophobicContact CG2-CD2 4.24Å; I932-L944 HydrophobicContact CG2-CD1 3.95Å; I932-L944 HydrophobicContact CG2-CD2 3.87Å; K936-L944 HydrophobicContact CB-CD2 4.4Å; K936-L944 HydrophobicContact CD-CD1 4.48Å; L944-E948 HydrophobicContact CB-CB 4.1Å; L944-E948 HydrophobicContact CD1-CB 4.46Å; L944-E948 HydrophobicContact CD2-CB 4.17Å; L944-E948 HydrophobicContact CG-CB 4.48Å; L944-Q949 HydrophobicContact CB-CB 4.31Å |
| 945 | G | 84.2 | Confident | 82.9 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 158.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I874 A947 E948 Q949 | I874-G945 PolarHBondContact O-N 3.26Å; G945-A947 PolarHBondContact O-N 3.18Å; G945-E948 VanDerWaalsContact CA-OE2 3.24Å; G945-E948 WeakPolarHBondContact CA-OE2 3.39Å; G945-E948 PolarHBondContact O-N 2.87Å; G945-Q949 WeakPolarHBondContact O-CB 3.34Å; G945-Q949 PolarHBondContact O-N 3.46Å |
| 946 | Q | 86.8 | Confident | 83.1 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -27.4 | -173.9 | -177 | 60.6 | 78.9 | 0 | 0 | 112.5 | N886 L889 F950 | N886-Q946 WeakPolarHBondContact OD1-CB 3.13Å; L889-Q946 HydrophobicContact CD1-CG 4.09Å; Q946-F950 PolarHBondContact O-N 3.21Å |
| 947 | A | 88.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -77 | -47.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L877 I885 G945 Q949 F950 L951 | L877-A947 HydrophobicContact CD1-CB 3.79Å; I885-A947 HydrophobicContact CB-CB 3.75Å; I885-A947 HydrophobicContact CD1-CB 4.16Å; I885-A947 HydrophobicContact CG2-CB 3.52Å; G945-A947 PolarHBondContact O-N 3.18Å; A947-Q949 PolarHBondContact O-N 3.06Å; A947-F950 WeakPolarHBondContact O-CA 3.31Å; A947-F950 WeakPolarHBondContact O-CB 3.4Å; A947-F950 PolarHBondContact O-N 3.04Å; A947-L951 PolarHBondContact O-N 3.49Å |
| 948 | E | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 178.4 | -69.9 | 78.7 | 178 | 0 | 0 | 111.8 | E875 V876 L877 I932 L944 G945 F950 L951 V952 | E875-E948 WeakPolarHBondContact CA-OE1 3.36Å; V876-E948 HydrophobicContact CB-CG 4.27Å; V876-E948 HydrophobicContact CG2-CG 4.39Å; V876-E948 PolarHBondContact N-OE1 2.97Å; L877-E948 HydrophobicContact CD1-CG 3.99Å; L877-E948 HydrophobicContact CG-CG 4.06Å; L877-E948 PolarHBondContact N-OE1 3.1Å; I932-E948 HydrophobicContact CD1-CB 4.01Å; I932-E948 HydrophobicContact CD1-CG 3.93Å; I932-E948 HydrophobicContact CG1-CB 4.19Å; I932-E948 HydrophobicContact CG1-CG 3.9Å; I932-E948 HydrophobicContact CG2-CB 4.12Å; L944-E948 HydrophobicContact CB-CB 4.1Å; L944-E948 HydrophobicContact CD1-CB 4.46Å; L944-E948 HydrophobicContact CD2-CB 4.17Å; L944-E948 HydrophobicContact CG-CB 4.48Å; G945-E948 VanDerWaalsContact CA-OE2 3.24Å; G945-E948 WeakPolarHBondContact CA-OE2 3.39Å; G945-E948 PolarHBondContact O-N 2.87Å; E948-F950 PolarHBondContact O-N 2.88Å; E948-L951 PolarHBondContact O-N 3.35Å; E948-V952 WeakPolarHBondContact O-CG2 3.38Å; E948-V952 PolarHBondContact O-N 2.9Å |
| 949 | Q | 88.1 | Confident | 83.7 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -34 | 174.7 | -176.4 | 177.8 | 71 | 0 | 0 | 112 | L944 G945 A947 T953 | L944-Q949 HydrophobicContact CB-CB 4.31Å; G945-Q949 WeakPolarHBondContact O-CB 3.34Å; G945-Q949 PolarHBondContact O-N 3.46Å; A947-Q949 PolarHBondContact O-N 3.06Å; Q949-T953 WeakPolarHBondContact O-CB 3.07Å; Q949-T953 PolarHBondContact O-N 2.77Å; Q949-T953 VanDerWaalsContact O-N 3.17Å; Q949-T953 PolarHBondContact O-OG1 3.25Å |
| 950 | F | 89.2 | Confident | 84.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.7 | -44.3 | 178.9 | 178.7 | -128.5 | 0 | 0 | 0 | 112.5 | I885 L889 L892 P895 I898 L918 M922 Q946 A947 E948 V952 T953 L954 | I885-F950 HydrophobicContact CG2-CD1 3.85Å; L889-F950 HydrophobicContact CD1-CB 4.04Å; L889-F950 HydrophobicContact CD1-CD1 4.11Å; L889-F950 HydrophobicContact CD1-CG 4.16Å; L889-F950 HydrophobicContact CD2-CB 4.45Å; L889-F950 HydrophobicContact CD2-CD1 3.66Å; L889-F950 HydrophobicContact CD2-CD2 3.94Å; L889-F950 HydrophobicContact CD2-CE1 3.69Å; L889-F950 HydrophobicContact CD2-CE2 4Å; L889-F950 HydrophobicContact CD2-CG 3.76Å; L889-F950 HydrophobicContact CD2-CZ 3.85Å; L889-F950 HydrophobicContact CG-CD1 4.01Å; L889-F950 HydrophobicContact CG-CE1 4.27Å; L889-F950 HydrophobicContact CG-CG 4.36Å; L892-F950 HydrophobicContact CD1-CZ 4.28Å; P895-F950 HydrophobicContact CB-CD2 3.99Å; P895-F950 HydrophobicContact CB-CE2 4.46Å; P895-F950 HydrophobicContact CG-CD2 4.3Å; I898-F950 HydrophobicContact CD1-CE2 3.68Å; I898-F950 HydrophobicContact CD1-CZ 3.84Å; I898-F950 HydrophobicContact CG2-CE2 4.5Å; L918-F950 HydrophobicContact CD2-CE1 4.45Å; L918-F950 HydrophobicContact CD2-CZ 3.88Å; M922-F950 HydrophobicContact CB-CE1 4Å; M922-F950 HydrophobicContact CG-CE1 4.08Å; M922-F950 HydrophobicContact SD-CE1 3.91Å; Q946-F950 PolarHBondContact O-N 3.21Å; A947-F950 WeakPolarHBondContact O-CA 3.31Å; A947-F950 WeakPolarHBondContact O-CB 3.4Å; A947-F950 PolarHBondContact O-N 3.04Å; E948-F950 PolarHBondContact O-N 2.88Å; F950-V952 VanDerWaalsContact C-N 3.32Å; F950-V952 PolarHBondContact O-N 3.48Å; F950-T953 CarbonylContact O-C 3.57Å; F950-T953 WeakPolarHBondContact O-CA 3.43Å; F950-T953 WeakPolarHBondContact O-CB 3.43Å; F950-T953 PolarHBondContact O-N 2.88Å; F950-L954 HydrophobicContact CD1-CD1 4.33Å; F950-L954 HydrophobicContact CD2-CG 4.28Å; F950-L954 HydrophobicContact CE1-CD1 3.81Å; F950-L954 HydrophobicContact CE1-CG 4.5Å; F950-L954 HydrophobicContact CE2-CD1 4.04Å; F950-L954 HydrophobicContact CE2-CD2 4.03Å; F950-L954 HydrophobicContact CE2-CG 3.87Å; F950-L954 HydrophobicContact CZ-CD1 3.66Å; F950-L954 HydrophobicContact CZ-CD2 4.22Å; F950-L954 HydrophobicContact CZ-CG 4.02Å; F950-L954 PolarHBondContact O-N 3.49Å |
| 951 | L | 89.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.9 | -66.2 | -167.5 | 0 | 0 | 0 | 111.6 | L877 I885 M922 P924 E928 I932 A947 E948 T953 L954 S955 | L877-L951 HydrophobicContact CD1-CD1 3.75Å; L877-L951 HydrophobicContact CD1-CG 4.4Å; L877-L951 HydrophobicContact CD2-CD1 3.88Å; L877-L951 HydrophobicContact CG-CD1 4.43Å; I885-L951 HydrophobicContact CD1-CD1 3.98Å; I885-L951 HydrophobicContact CD1-CD2 3.92Å; I885-L951 HydrophobicContact CD1-CG 4.06Å; M922-L951 VanDerWaalsContact O-CD2 3.26Å; M922-L951 WeakPolarHBondContact O-CD2 3.22Å; P924-L951 HydrophobicContact CB-CB 4.14Å; P924-L951 HydrophobicContact CB-CD2 4.12Å; P924-L951 HydrophobicContact CB-CG 4.48Å; E928-L951 HydrophobicContact CB-CD1 4.31Å; I932-L951 HydrophobicContact CD1-CB 4.3Å; I932-L951 HydrophobicContact CD1-CD1 4.16Å; A947-L951 PolarHBondContact O-N 3.49Å; E948-L951 PolarHBondContact O-N 3.35Å; L951-T953 VanDerWaalsContact C-N 3.26Å; L951-T953 PolarHBondContact O-N 2.85Å; L951-L954 PolarHBondContact O-N 3.5Å; L951-L954 VanDerWaalsContact O-N 3.11Å; L951-S955 PolarHBondContact O-N 3.41Å; L951-S955 PolarHBondContact O-OG 3.47Å |
| 952 | V | 87.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 44.1 Ų | 44.1 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -29.6 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | I932 E948 F950 | I932-V952 HydrophobicContact CB-CG2 4.4Å; I932-V952 HydrophobicContact CG2-CG2 3.57Å; E948-V952 WeakPolarHBondContact O-CG2 3.38Å; E948-V952 PolarHBondContact O-N 2.9Å; F950-V952 VanDerWaalsContact C-N 3.32Å; F950-V952 PolarHBondContact O-N 3.48Å |
| 953 | T | 87.2 | Confident | 87.8 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 27% | 0.27 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.8 | -24.7 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | S899 Q949 F950 L951 | S899-T953 PolarHBondContact OG-O 3.27Å; Q949-T953 WeakPolarHBondContact O-CB 3.07Å; Q949-T953 PolarHBondContact O-N 2.77Å; Q949-T953 VanDerWaalsContact O-N 3.17Å; Q949-T953 PolarHBondContact O-OG1 3.25Å; F950-T953 CarbonylContact O-C 3.57Å; F950-T953 WeakPolarHBondContact O-CA 3.43Å; F950-T953 WeakPolarHBondContact O-CB 3.43Å; F950-T953 PolarHBondContact O-N 2.88Å; L951-T953 VanDerWaalsContact C-N 3.26Å; L951-T953 PolarHBondContact O-N 2.85Å |
| 954 | L | 88.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -84.7 | -43 | 174.4 | -72.4 | -178.2 | 0 | 0 | 0 | 112.7 | I898 I902 L918 M922 P924 F950 L951 A956 I957 L960 | I898-L954 HydrophobicContact CG2-CD2 4.07Å; I902-L954 HydrophobicContact CD1-CD2 4.09Å; L918-L954 HydrophobicContact CD2-CD1 4.09Å; L918-L954 HydrophobicContact CD2-CD2 4.4Å; M922-L954 HydrophobicContact CB-CD1 4.35Å; P924-L954 HydrophobicContact CG-CB 4.24Å; F950-L954 HydrophobicContact CD1-CD1 4.33Å; F950-L954 HydrophobicContact CD2-CG 4.28Å; F950-L954 HydrophobicContact CE1-CD1 3.81Å; F950-L954 HydrophobicContact CE1-CG 4.5Å; F950-L954 HydrophobicContact CE2-CD1 4.04Å; F950-L954 HydrophobicContact CE2-CD2 4.03Å; F950-L954 HydrophobicContact CE2-CG 3.87Å; F950-L954 HydrophobicContact CZ-CD1 3.66Å; F950-L954 HydrophobicContact CZ-CD2 4.22Å; F950-L954 HydrophobicContact CZ-CG 4.02Å; F950-L954 PolarHBondContact O-N 3.49Å; L951-L954 PolarHBondContact O-N 3.5Å; L951-L954 VanDerWaalsContact O-N 3.11Å; L954-A956 PolarHBondContact O-N 2.76Å; L954-I957 HydrophobicContact CD2-CD1 4.28Å; L954-I957 WeakPolarHBondContact O-CB 3.18Å; L954-I957 WeakPolarHBondContact O-CG1 3.26Å; L954-I957 PolarHBondContact O-N 2.88Å; L954-L960 HydrophobicContact CB-CD2 3.88Å |
| 955 | S | 86.2 | Confident | 88.9 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.9 | -17.3 | -177.7 | 59.8 | 0 | 0 | 0 | 0 | 114 | C929 L951 I957 | C929-S955 VanDerWaalsContact SG-CB 3.51Å; L951-S955 PolarHBondContact O-N 3.41Å; L951-S955 PolarHBondContact O-OG 3.47Å; S955-I957 PolarHBondContact O-N 3.32Å |
| 956 | A | 87.2 | Confident | 89.4 | Confident | 87 Ų | 87 | 38.1 Ų | 38.1 | 72% | 0.719 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -6.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L954 | L954-A956 PolarHBondContact O-N 2.76Š|
| 957 | I | 87.3 | Confident | 89.6 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -95.9 | 112.9 | -177.6 | -56.5 | 171.3 | 0 | 0 | 0 | 110.2 | I902 L903 L954 S955 H959 L960 | I902-I957 HydrophobicContact CB-CD1 4.37Å; I902-I957 HydrophobicContact CD1-CD1 3.96Å; I902-I957 HydrophobicContact CG2-CD1 4.41Å; I902-I957 HydrophobicContact CG2-CG2 4.11Å; L903-I957 HydrophobicContact CD2-CG2 4.17Å; L954-I957 HydrophobicContact CD2-CD1 4.28Å; L954-I957 WeakPolarHBondContact O-CB 3.18Å; L954-I957 WeakPolarHBondContact O-CG1 3.26Å; L954-I957 PolarHBondContact O-N 2.88Å; S955-I957 PolarHBondContact O-N 3.32Å; I957-H959 PolarHBondContact O-N 2.7Å; I957-L960 HydrophobicContact CB-CB 4.37Å; I957-L960 HydrophobicContact CB-CD1 4.26Å; I957-L960 HydrophobicContact CD1-CD1 4.09Å; I957-L960 HydrophobicContact CG2-CD1 4.31Å; I957-L960 PolarHBondContact O-N 3.09Å |
| 958 | S | 86 | Confident | 89.8 | Confident | 69 Ų | 69 | 35.3 Ų | 35.3 | 48% | 0.483 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 130.5 | 178.6 | 64 | 0 | 0 | 0 | 0 | 112 | L960 R963 | S958-L960 VanDerWaalsContact C-N 3.27Å; S958-L960 PolarHBondContact O-N 3.32Å; S958-R963 WeakPolarHBondContact O-CD 3.42Å; S958-R963 PolarHBondContact O-NE 3.31Å; S958-R963 PolarHBondContact OG-NH2 3.14Å; S958-R963 VanDerWaalsContact OG-NH2 3.15Å |
| 959 | H | 88.4 | Confident | 90.1 | Very high | 87 Ų | 87 | 36.1 Ų | 36.1 | 40% | 0.403 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 37.9 | -177.9 | -47.7 | -74.3 | 0 | 0 | 0 | 114.1 | I957 K961 P962 R963 I1099 | I957-H959 PolarHBondContact O-N 2.7Å; H959-K961 VanDerWaalsContact C-N 3.33Å; H959-K961 PolarHBondContact O-N 2.69Å; H959-P962 HydrophobicContact CB-CB 4.25Å; H959-P962 HydrophobicContact CB-CG 4.23Å; H959-P962 VanDerWaalsContact O-CD 3.31Å; H959-P962 WeakPolarHBondContact O-CD 3.36Å; H959-R963 WeakPolarHBondContact O-CG 3.13Å; H959-R963 PolarHBondContact O-N 2.88Å; H959-I1099 HydrophobicContact CB-CG1 4.08Å |
| 960 | L | 90.5 | Very high | 90.3 | Very high | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -41.9 | -53.9 | -179.8 | 175.1 | 63 | 0 | 0 | 0 | 113.7 | I902 P924 L954 I957 S958 R963 L964 | I902-L960 HydrophobicContact CD1-CD1 3.94Å; I902-L960 HydrophobicContact CG2-CD1 4.25Å; P924-L960 HydrophobicContact CG-CD2 4.05Å; L954-L960 HydrophobicContact CB-CD2 3.88Å; I957-L960 HydrophobicContact CB-CB 4.37Å; I957-L960 HydrophobicContact CB-CD1 4.26Å; I957-L960 HydrophobicContact CD1-CD1 4.09Å; I957-L960 HydrophobicContact CG2-CD1 4.31Å; I957-L960 PolarHBondContact O-N 3.09Å; S958-L960 VanDerWaalsContact C-N 3.27Å; S958-L960 PolarHBondContact O-N 3.32Å; L960-R963 PolarHBondContact O-N 2.88Å; L960-L964 HydrophobicContact CD1-CD1 3.76Å; L960-L964 HydrophobicContact CD1-CG 4.14Å; L960-L964 HydrophobicContact CG-CD1 4.04Å; L960-L964 WeakPolarHBondContact O-CG 3.42Å; L960-L964 PolarHBondContact O-N 3.37Å |
| 961 | K | 91.6 | Very high | 90.4 | Very high | 102 Ų | 102 | 38 Ų | 38 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.6 | -57.8 | -178.2 | 174.1 | 173 | 177.3 | -179.6 | 0 | 111.9 | L923 H959 R963 L964 E965 | L923-K961 HydrophobicContact CD1-CB 4.04Å; L923-K961 HydrophobicContact CD1-CD 4.08Å; L923-K961 HydrophobicContact CD1-CG 4.06Å; H959-K961 VanDerWaalsContact C-N 3.33Å; H959-K961 PolarHBondContact O-N 2.69Å; K961-R963 VanDerWaalsContact C-N 3.26Å; K961-R963 PolarHBondContact O-N 2.97Å; K961-L964 PolarHBondContact O-N 3.33Å; K961-L964 VanDerWaalsContact O-N 3.09Å; K961-E965 WeakPolarHBondContact CE-OE1 3.14Å; K961-E965 WeakPolarHBondContact CE-OE2 3.46Å; K961-E965 HydrophobicContact CG-CG 4.34Å; K961-E965 VanDerWaalsContact CG-OE2 3.22Å; K961-E965 WeakPolarHBondContact CG-OE2 3.17Å; K961-E965 IonicContact NZ-OE1 3.09Å; K961-E965 PolarHBondContact O-N 2.81Å |
| 962 | P | 92.4 | Very high | 90.5 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.143 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -49.9 | -39.2 | 170.9 | -32.4 | 35.4 | 0 | 0 | 0 | 115.1 | H959 L966 H1095 L1098 I1099 | H959-P962 HydrophobicContact CB-CB 4.25Å; H959-P962 HydrophobicContact CB-CG 4.23Å; H959-P962 VanDerWaalsContact O-CD 3.31Å; H959-P962 WeakPolarHBondContact O-CD 3.36Å; P962-L966 WeakPolarHBondContact O-CB 3.36Å; P962-L966 PolarHBondContact O-N 3.34Å; P962-H1095 HydrophobicContact CB-CB 4.02Å; P962-L1098 HydrophobicContact CB-CD2 4.35Å; P962-L1098 HydrophobicContact CG-CD2 3.86Å; P962-I1099 HydrophobicContact CB-CD1 3.98Å; P962-I1099 HydrophobicContact CB-CG1 4.09Å |
| 963 | R | 91.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.7 | -73.8 | -175.5 | -168.2 | -90.4 | -1.4 | 111.8 | I902 M905 S958 H959 L960 K961 W967 I1099 | I902-R963 HydrophobicContact CG2-CB 4.21Å; M905-R963 WeakPolarHBondContact CE-O 3.36Å; S958-R963 WeakPolarHBondContact O-CD 3.42Å; S958-R963 PolarHBondContact O-NE 3.31Å; S958-R963 PolarHBondContact OG-NH2 3.14Å; S958-R963 VanDerWaalsContact OG-NH2 3.15Å; H959-R963 WeakPolarHBondContact O-CG 3.13Å; H959-R963 PolarHBondContact O-N 2.88Å; L960-R963 PolarHBondContact O-N 2.88Å; K961-R963 VanDerWaalsContact C-N 3.26Å; K961-R963 PolarHBondContact O-N 2.97Å; R963-W967 VanDerWaalsContact O-CB 3.26Å; R963-W967 WeakPolarHBondContact O-CB 3.48Å; R963-W967 PolarHBondContact O-N 3.34Å; R963-I1099 HydrophobicContact CB-CD1 4.34Å; R963-I1099 HydrophobicContact CG-CD1 3.78Å; R963-I1099 HydrophobicContact CG-CG1 4.01Å; R963-I1099 HydrophobicContact CG-CG2 4.06Å |
| 964 | L | 92.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | 178.1 | -70.3 | 170.4 | 0 | 0 | 0 | 111.6 | I902 I915 L918 L919 L960 K961 W967 L968 | I902-L964 HydrophobicContact CD1-CD2 4.02Å; I902-L964 HydrophobicContact CG1-CD2 3.98Å; I902-L964 HydrophobicContact CG2-CD2 4.47Å; I915-L964 HydrophobicContact CG2-CB 4.36Å; I915-L964 HydrophobicContact CG2-CD2 4.11Å; L918-L964 HydrophobicContact CB-CD1 4.07Å; L918-L964 HydrophobicContact CB-CD2 4.41Å; L918-L964 HydrophobicContact CD1-CD2 4.03Å; L919-L964 HydrophobicContact CD1-CB 4.16Å; L919-L964 HydrophobicContact CD2-CB 3.59Å; L919-L964 HydrophobicContact CD2-CD1 4.13Å; L919-L964 HydrophobicContact CG-CB 3.82Å; L919-L964 HydrophobicContact CG-CD1 4.31Å; L960-L964 HydrophobicContact CD1-CD1 3.76Å; L960-L964 HydrophobicContact CD1-CG 4.14Å; L960-L964 HydrophobicContact CG-CD1 4.04Å; L960-L964 WeakPolarHBondContact O-CG 3.42Å; L960-L964 PolarHBondContact O-N 3.37Å; K961-L964 PolarHBondContact O-N 3.33Å; K961-L964 VanDerWaalsContact O-N 3.09Å; L964-W967 PolarHBondContact O-N 2.9Å; L964-L968 WeakPolarHBondContact O-CB 3.46Å; L964-L968 PolarHBondContact O-N 2.96Å |
| 965 | E | 93.9 | Very high | 91.4 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -42.9 | 178.3 | -70 | 176.3 | 137.7 | 0 | 0 | 111.8 | L919 K961 L968 F969 H1095 | L919-E965 HydrophobicContact CD1-CG 4.24Å; L919-E965 HydrophobicContact CD2-CG 3.78Å; K961-E965 WeakPolarHBondContact CE-OE1 3.14Å; K961-E965 WeakPolarHBondContact CE-OE2 3.46Å; K961-E965 HydrophobicContact CG-CG 4.34Å; K961-E965 VanDerWaalsContact CG-OE2 3.22Å; K961-E965 WeakPolarHBondContact CG-OE2 3.17Å; K961-E965 IonicContact NZ-OE1 3.09Å; K961-E965 PolarHBondContact O-N 2.81Å; E965-L968 PolarHBondContact O-N 3.44Å; E965-F969 WeakPolarHBondContact O-CB 3.35Å; E965-F969 PolarHBondContact O-N 2.96Å; E965-H1095 IonicContact OE2-CE1 3.69Å; E965-H1095 IonicContact OE2-NE2 3.81Å; E965-H1095 PolarHBondContact OE2-NE2 3.24Å |
| 966 | L | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 173.8 | 175.1 | 56 | 0 | 0 | 0 | 112.8 | M905 P962 K970 A1092 H1095 I1099 F1100 L1112 L1116 | M905-L966 HydrophobicContact CE-CB 4.3Å; M905-L966 HydrophobicContact CE-CD2 4.03Å; M905-L966 HydrophobicContact CE-CG 4.02Å; P962-L966 WeakPolarHBondContact O-CB 3.36Å; P962-L966 PolarHBondContact O-N 3.34Å; L966-K970 PolarHBondContact O-N 3.46Å; L966-K970 VanDerWaalsContact O-N 3.16Å; L966-A1092 HydrophobicContact CD1-CB 3.83Å; L966-H1095 HydrophobicContact CB-CB 4.04Å; L966-H1095 HydrophobicContact CD2-CB 4.4Å; L966-I1099 HydrophobicContact CB-CD1 4.44Å; L966-I1099 HydrophobicContact CD2-CD1 3.76Å; L966-F1100 HydrophobicContact CD2-CE2 4.44Å; L966-L1112 HydrophobicContact CD2-CD2 4.06Å; L966-L1116 HydrophobicContact CD1-CD1 4.08Å; L966-L1116 HydrophobicContact CD1-CD2 4.01Å |
| 967 | W | 92.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.7 | -42 | 178 | -172.9 | 9.5 | 0 | 0 | 0 | 111.6 | A901 I902 M905 D906 I910 I915 R963 L964 K970 L971 | A901-W967 HydrophobicContact CB-CH2 4.26Å; I902-W967 HydrophobicContact CB-CZ3 4.46Å; I902-W967 HydrophobicContact CG1-CZ3 4.05Å; M905-W967 VanDerWaalsContact C-CZ2 3.47Å; M905-W967 HydrophobicContact CB-CD2 3.95Å; M905-W967 HydrophobicContact CB-CG 3.9Å; M905-W967 HydrophobicContact CE-CB 4.15Å; M905-W967 HydrophobicContact CG-CB 4.03Å; M905-W967 HydrophobicContact CG-CD2 4.07Å; M905-W967 HydrophobicContact CG-CE3 4.49Å; M905-W967 HydrophobicContact CG-CG 3.84Å; M905-W967 HydrophobicContact SD-CB 4.05Å; M905-W967 HydrophobicContact SD-CG 4.32Å; D906-W967 VanDerWaalsContact C-CZ2 3.41Å; D906-W967 WeakPolarHBondContact O-CZ2 3.46Å; I910-W967 HydrophobicContact CB-CH2 3.8Å; I910-W967 HydrophobicContact CB-CZ2 4.49Å; I910-W967 HydrophobicContact CB-CZ3 4.46Å; I910-W967 HydrophobicContact CD1-CH2 4.12Å; I910-W967 HydrophobicContact CD1-CZ3 4.15Å; I910-W967 HydrophobicContact CG1-CH2 4.11Å; I915-W967 HydrophobicContact CD1-CD2 3.55Å; I915-W967 HydrophobicContact CD1-CE3 3.85Å; I915-W967 HydrophobicContact CD1-CG 3.98Å; I915-W967 HydrophobicContact CD1-CH2 4.15Å; I915-W967 HydrophobicContact CD1-CZ2 3.84Å; I915-W967 HydrophobicContact CD1-CZ3 4.14Å; I915-W967 HydrophobicContact CG1-CD2 4.28Å; I915-W967 HydrophobicContact CG1-CE3 4.07Å; I915-W967 HydrophobicContact CG1-CH2 4.42Å; I915-W967 HydrophobicContact CG1-CZ3 4.15Å; R963-W967 VanDerWaalsContact O-CB 3.26Å; R963-W967 WeakPolarHBondContact O-CB 3.48Å; R963-W967 PolarHBondContact O-N 3.34Å; L964-W967 PolarHBondContact O-N 2.9Å; W967-K970 WeakPolarHBondContact O-CB 3.45Å; W967-K970 PolarHBondContact O-N 3.32Å; W967-L971 PolarHBondContact O-N 3.29Å |
| 968 | L | 92.7 | Very high | 92.4 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 174.8 | -176.2 | 60.5 | 0 | 0 | 0 | 111.3 | R912 I915 E916 L919 L964 E965 K970 L971 D972 | R912-L968 HydrophobicContact CG-CD1 3.77Å; I915-L968 HydrophobicContact CG2-CB 3.92Å; I915-L968 HydrophobicContact CG2-CD1 4.45Å; E916-L968 HydrophobicContact CG-CD1 3.75Å; E916-L968 HydrophobicContact CG-CD2 3.85Å; E916-L968 HydrophobicContact CG-CG 4.49Å; L919-L968 HydrophobicContact CD1-CB 4.48Å; L919-L968 HydrophobicContact CD1-CD2 3.84Å; L964-L968 WeakPolarHBondContact O-CB 3.46Å; L964-L968 PolarHBondContact O-N 2.96Å; E965-L968 PolarHBondContact O-N 3.44Å; L968-K970 VanDerWaalsContact C-N 3.25Å; L968-K970 PolarHBondContact O-N 2.88Å; L968-L971 PolarHBondContact O-N 2.85Å; L968-D972 PolarHBondContact O-N 3.43Å |
| 969 | F | 94.6 | Very high | 92.8 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.5 | -44.9 | 174.6 | 173.3 | -95.6 | 0 | 0 | 0 | 111.8 | E965 L971 D972 Y973 L1085 D1088 S1089 A1092 F1115 L1116 A1119 | E965-F969 WeakPolarHBondContact O-CB 3.35Å; E965-F969 PolarHBondContact O-N 2.96Å; F969-L971 VanDerWaalsContact C-N 3.32Å; F969-L971 PolarHBondContact O-N 2.92Å; F969-D972 PolarHBondContact O-N 3.35Å; F969-Y973 HydrophobicContact CE1-CD2 4.16Å; F969-Y973 AromaticContact CE2-CD2 3.97Å; F969-Y973 HydrophobicContact CE2-CD2 3.97Å; F969-Y973 AromaticContact CZ-CD2 3.51Å; F969-Y973 HydrophobicContact CZ-CD2 3.51Å; F969-Y973 HydrophobicContact CZ-CE2 4.14Å; F969-Y973 HydrophobicContact CZ-CG 4.39Å; F969-Y973 VanDerWaalsContact O-CB 3.28Å; F969-Y973 WeakPolarHBondContact O-CB 3.28Å; F969-Y973 PolarHBondContact O-N 3.17Å; F969-L1085 HydrophobicContact CE2-CD1 4.16Å; F969-D1088 HydrophobicContact CD2-CB 3.87Å; F969-D1088 HydrophobicContact CE2-CB 4.19Å; F969-S1089 WeakPolarHBondContact CE2-OG 3.46Å; F969-S1089 VanDerWaalsContact CZ-OG 3.28Å; F969-S1089 WeakPolarHBondContact CZ-OG 3.14Å; F969-A1092 HydrophobicContact CB-CB 4.3Å; F969-A1092 HydrophobicContact CD1-CB 3.48Å; F969-A1092 VanDerWaalsContact CD1-CB 3.48Å; F969-A1092 HydrophobicContact CD2-CB 4.38Å; F969-A1092 HydrophobicContact CE1-CB 3.87Å; F969-A1092 HydrophobicContact CG-CB 3.78Å; F969-A1092 HydrophobicContact CZ-CB 4.45Å; F969-F1115 HydrophobicContact CD1-CE1 4.14Å; F969-F1115 AromaticContact CE1-CE1 3.9Å; F969-F1115 HydrophobicContact CE1-CE1 3.9Å; F969-F1115 HydrophobicContact CE1-CZ 4.23Å; F969-L1116 HydrophobicContact CD1-CD2 4.03Å; F969-L1116 HydrophobicContact CE1-CD2 3.75Å; F969-A1119 HydrophobicContact CE1-CB 4.42Å; F969-A1119 HydrophobicContact CZ-CB 4.37Å |
| 970 | K | 92.8 | Very high | 93.1 | Very high | 84 Ų | 84 | 41.6 Ų | 41.6 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.7 | -34.6 | 179.6 | -175.5 | -173.2 | -179.1 | -173.9 | 0 | 113.6 | L966 W967 L968 L1112 F1115 | L966-K970 PolarHBondContact O-N 3.46Å; L966-K970 VanDerWaalsContact O-N 3.16Å; W967-K970 WeakPolarHBondContact O-CB 3.45Å; W967-K970 PolarHBondContact O-N 3.32Å; L968-K970 VanDerWaalsContact C-N 3.25Å; L968-K970 PolarHBondContact O-N 2.88Å; K970-L1112 HydrophobicContact CD-CD1 3.86Å; K970-F1115 HydrophobicContact CB-CE1 3.93Å; K970-F1115 HydrophobicContact CB-CZ 4.27Å; K970-F1115 HydrophobicContact CG-CD1 4.11Å; K970-F1115 HydrophobicContact CG-CE1 3.76Å; K970-F1115 HydrophobicContact CG-CZ 3.99Å |
| 971 | L | 91.5 | Very high | 93.3 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.335 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -76.7 | -42.6 | 178.4 | -66.6 | 174.6 | 0 | 0 | 0 | 111.6 | H907 I915 W967 L968 F969 | H907-L971 HydrophobicContact CB-CD2 4.18Å; I915-L971 HydrophobicContact CD1-CD1 3.47Å; I915-L971 VanDerWaalsContact CD1-CD1 3.47Å; W967-L971 PolarHBondContact O-N 3.29Å; L968-L971 PolarHBondContact O-N 2.85Å; F969-L971 VanDerWaalsContact C-N 3.32Å; F969-L971 PolarHBondContact O-N 2.92Å |
| 972 | D | 92.8 | Very high | 93.5 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -84.3 | -17.5 | -171.2 | -65.8 | 13.1 | 0 | 0 | 0 | 112.5 | R912 L968 F969 E974 Q975 N976 | R912-D972 WeakPolarHBondContact CD-OD1 3.41Å; R912-D972 WeakPolarHBondContact CG-OD1 3.4Å; R912-D972 IonicContact CZ-OD2 2.77Å; R912-D972 IonicContact NE-OD1 3.58Å; R912-D972 PolarHBondContact NE-OD1 2.91Å; R912-D972 IonicContact NE-OD2 2.76Å; R912-D972 PolarHBondContact NE-OD2 3.27Å; R912-D972 IonicContact NH2-OD2 2.72Å; R912-D972 PolarHBondContact NH2-OD2 3.18Å; L968-D972 PolarHBondContact O-N 3.43Å; F969-D972 PolarHBondContact O-N 3.35Å; D972-E974 PolarHBondContact O-N 3.36Å; D972-Q975 PolarHBondContact O-N 3.07Å; D972-N976 WeakPolarHBondContact CB-ND2 3.36Å; D972-N976 PolarHBondContact O-N 3.25Å; D972-N976 PolarHBondContact O-ND2 2.97Å; D972-N976 VanDerWaalsContact O-ND2 3.07Å |
| 973 | Y | 94.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.4 | -50.9 | -174.1 | -179.1 | -94.5 | 0 | 0 | 0 | 113.9 | F969 Q975 N976 E977 L1085 F1115 A1119 R1122 V1123 | F969-Y973 HydrophobicContact CE1-CD2 4.16Å; F969-Y973 AromaticContact CE2-CD2 3.97Å; F969-Y973 HydrophobicContact CE2-CD2 3.97Å; F969-Y973 AromaticContact CZ-CD2 3.51Å; F969-Y973 HydrophobicContact CZ-CD2 3.51Å; F969-Y973 HydrophobicContact CZ-CE2 4.14Å; F969-Y973 HydrophobicContact CZ-CG 4.39Å; F969-Y973 VanDerWaalsContact O-CB 3.28Å; F969-Y973 WeakPolarHBondContact O-CB 3.28Å; F969-Y973 PolarHBondContact O-N 3.17Å; Y973-Q975 VanDerWaalsContact C-N 3.29Å; Y973-Q975 PolarHBondContact O-N 3.22Å; Y973-N976 PolarHBondContact O-N 3.41Å; Y973-E977 HydrophobicContact CE1-CB 4.18Å; Y973-E977 HydrophobicContact CE1-CG 4.39Å; Y973-E977 VanDerWaalsContact O-CB 3.27Å; Y973-E977 WeakPolarHBondContact O-CB 3.44Å; Y973-E977 PolarHBondContact O-N 2.87Å; Y973-L1085 HydrophobicContact CD2-CD1 3.97Å; Y973-L1085 HydrophobicContact CE2-CD1 4.16Å; Y973-L1085 HydrophobicContact CE2-CD2 4.38Å; Y973-L1085 HydrophobicContact CE2-CG 4.41Å; Y973-F1115 HydrophobicContact CD1-CE2 4.07Å; Y973-F1115 HydrophobicContact CD1-CZ 4.21Å; Y973-F1115 HydrophobicContact CG-CE2 4.31Å; Y973-F1115 AromaticContact CG-CZ 3.98Å; Y973-F1115 HydrophobicContact CG-CZ 3.98Å; Y973-A1119 HydrophobicContact CD1-CB 4.49Å; Y973-A1119 HydrophobicContact CD2-CB 4.02Å; Y973-A1119 HydrophobicContact CE1-CB 4.13Å; Y973-A1119 HydrophobicContact CE2-CB 3.6Å; Y973-A1119 HydrophobicContact CG-CB 4.46Å; Y973-A1119 WeakPolarHBondContact OH-CA 3.24Å; Y973-A1119 PolarHBondContact OH-O 3.48Å; Y973-A1119 VanDerWaalsContact OH-O 3.11Å; Y973-R1122 WeakPolarHBondContact OH-CB 3.33Å; Y973-V1123 HydrophobicContact CE2-CG2 3.94Å |
| 974 | E | 92.4 | Very high | 93.8 | Very high | 118 Ų | 118 | 39.7 Ų | 39.7 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.3 | -32.3 | -173.3 | -62 | -146.8 | 106.8 | 0 | 0 | 113 | K674 D972 K978 | K674-E974 IonicContact NZ-OE1 2.73Å; K674-E974 PolarHBondContact NZ-OE1 3.43Å; D972-E974 PolarHBondContact O-N 3.36Å; E974-K978 VanDerWaalsContact O-CB 3.3Å; E974-K978 WeakPolarHBondContact O-CB 3.27Å; E974-K978 PolarHBondContact O-N 2.91Å; E974-K978 VanDerWaalsContact O-N 3.15Å |
| 975 | Q | 93.6 | Very high | 94 | Very high | 102 Ų | 102 | 41.1 Ų | 41.1 | 48% | 0.477 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -76 | -46.2 | 176.3 | -179.9 | 60.8 | 22.5 | 0 | 0 | 110.8 | D972 Y973 E977 K978 E979 | D972-Q975 PolarHBondContact O-N 3.07Å; Y973-Q975 VanDerWaalsContact C-N 3.29Å; Y973-Q975 PolarHBondContact O-N 3.22Å; Q975-E977 VanDerWaalsContact C-N 3.29Å; Q975-E977 PolarHBondContact O-N 3.22Å; Q975-K978 PolarHBondContact O-N 3.43Å; Q975-E979 PolarHBondContact NE2-OE1 2.9Å; Q975-E979 WeakPolarHBondContact O-CG 3.31Å; Q975-E979 PolarHBondContact O-N 2.92Å |
| 976 | N | 93.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 175.5 | -72.3 | -43.9 | 0 | 0 | 0 | 112 | D972 Y973 I980 L1085 | D972-N976 WeakPolarHBondContact CB-ND2 3.36Å; D972-N976 PolarHBondContact O-N 3.25Å; D972-N976 PolarHBondContact O-ND2 2.97Å; D972-N976 VanDerWaalsContact O-ND2 3.07Å; Y973-N976 PolarHBondContact O-N 3.41Å; N976-I980 WeakPolarHBondContact O-CD1 3.17Å; N976-I980 WeakPolarHBondContact O-CG1 3.39Å; N976-I980 PolarHBondContact O-N 3.46Å; N976-L1085 HydrophobicContact CB-CD1 3.95Å; N976-L1085 HydrophobicContact CB-CD2 4.47Å |
| 977 | E | 94.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -50.2 | 174.3 | -170.3 | -153.2 | 176.4 | 0 | 0 | 110.8 | L673 K674 Y973 Q975 E979 I980 A981 R1122 L1126 | L673-E977 VanDerWaalsContact CD1-OE1 3.25Å; L673-E977 WeakPolarHBondContact CD1-OE1 3.43Å; L673-E977 VanDerWaalsContact CG-OE1 3.3Å; L673-E977 WeakPolarHBondContact CG-OE1 3.14Å; K674-E977 IonicContact NZ-OE2 2.69Å; K674-E977 PolarHBondContact NZ-OE2 2.98Å; Y973-E977 HydrophobicContact CE1-CB 4.18Å; Y973-E977 HydrophobicContact CE1-CG 4.39Å; Y973-E977 VanDerWaalsContact O-CB 3.27Å; Y973-E977 WeakPolarHBondContact O-CB 3.44Å; Y973-E977 PolarHBondContact O-N 2.87Å; Q975-E977 VanDerWaalsContact C-N 3.29Å; Q975-E977 PolarHBondContact O-N 3.22Å; E977-E979 PolarHBondContact O-N 3.39Å; E977-I980 PolarHBondContact O-N 2.73Å; E977-A981 VanDerWaalsContact O-CB 3.26Å; E977-A981 WeakPolarHBondContact O-CB 3.1Å; E977-A981 PolarHBondContact O-N 3.3Å; E977-R1122 VanDerWaalsContact CD-NE 3.35Å; E977-R1122 IonicContact OE1-CZ 3.38Å; E977-R1122 IonicContact OE1-NE 3.6Å; E977-R1122 PolarHBondContact OE1-NE 3.41Å; E977-R1122 IonicContact OE1-NH2 2.87Å; E977-R1122 PolarHBondContact OE1-NH2 2.73Å; E977-R1122 IonicContact OE2-CZ 2.78Å; E977-R1122 IonicContact OE2-NE 3.41Å; E977-R1122 PolarHBondContact OE2-NE 3.37Å; E977-R1122 IonicContact OE2-NH2 3.55Å; E977-L1126 HydrophobicContact CG-CD1 3.89Å |
| 978 | K | 93.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 40.7 Ų | 40.7 | 43% | 0.426 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.6 | -44.4 | -178.6 | -176.9 | -179.9 | 174 | -178.3 | 0 | 112.2 | E974 Q975 I980 A981 E982 | E974-K978 VanDerWaalsContact O-CB 3.3Å; E974-K978 WeakPolarHBondContact O-CB 3.27Å; E974-K978 PolarHBondContact O-N 2.91Å; E974-K978 VanDerWaalsContact O-N 3.15Å; Q975-K978 PolarHBondContact O-N 3.43Å; K978-I980 PolarHBondContact O-N 2.78Å; K978-A981 PolarHBondContact O-N 3.38Å; K978-A981 VanDerWaalsContact O-N 3.16Å; K978-E982 WeakPolarHBondContact CE-OE1 3.43Å; K978-E982 WeakPolarHBondContact CE-OE2 3.38Å; K978-E982 HydrophobicContact CG-CG 4.05Å; K978-E982 IonicContact NZ-OE1 3.74Å; K978-E982 IonicContact NZ-OE2 3.43Å; K978-E982 PolarHBondContact O-N 2.87Å |
| 979 | E | 93.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.5 | -19.7 | 178.1 | -75.1 | -179.2 | -163.9 | 0 | 0 | 114.1 | Q975 E977 P983 R1081 | Q975-E979 PolarHBondContact NE2-OE1 2.9Å; Q975-E979 WeakPolarHBondContact O-CG 3.31Å; Q975-E979 PolarHBondContact O-N 2.92Å; E977-E979 PolarHBondContact O-N 3.39Å; E979-P983 VanDerWaalsContact O-CD 3.27Å; E979-P983 WeakPolarHBondContact O-CD 3.25Å; E979-P983 VanDerWaalsContact O-CG 3.31Å; E979-P983 WeakPolarHBondContact O-CG 3.1Å; E979-R1081 IonicContact OE2-CZ 3.64Å; E979-R1081 IonicContact OE2-NH1 3.97Å; E979-R1081 PolarHBondContact OE2-NH1 2.78Å |
| 980 | I | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -95 | -38.4 | 172.7 | -56.4 | 163.2 | 0 | 0 | 0 | 110.7 | N976 E977 K978 L984 L1078 R1081 L1082 L1085 L1126 | N976-I980 WeakPolarHBondContact O-CD1 3.17Å; N976-I980 WeakPolarHBondContact O-CG1 3.39Å; N976-I980 PolarHBondContact O-N 3.46Å; E977-I980 PolarHBondContact O-N 2.73Å; K978-I980 PolarHBondContact O-N 2.78Å; I980-L984 HydrophobicContact CG2-CD1 3.97Å; I980-L984 WeakPolarHBondContact O-CG 3.3Å; I980-L984 PolarHBondContact O-N 3.27Å; I980-L1078 HydrophobicContact CB-CD1 4.29Å; I980-L1078 HydrophobicContact CG1-CD1 4.38Å; I980-L1078 HydrophobicContact CG2-CD1 4.07Å; I980-R1081 HydrophobicContact CD1-CB 4.11Å; I980-R1081 HydrophobicContact CG1-CB 4.13Å; I980-L1082 HydrophobicContact CD1-CB 4.12Å; I980-L1082 HydrophobicContact CD1-CD1 4.26Å; I980-L1082 HydrophobicContact CG2-CB 4.45Å; I980-L1082 HydrophobicContact CG2-CD1 4.47Å; I980-L1085 HydrophobicContact CD1-CB 4.41Å; I980-L1085 HydrophobicContact CD1-CD2 3.82Å; I980-L1126 HydrophobicContact CB-CD1 4.44Å; I980-L1126 HydrophobicContact CB-CD2 4.38Å; I980-L1126 HydrophobicContact CG2-CD1 4.5Å; I980-L1126 HydrophobicContact CG2-CD2 4Å |
| 981 | A | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.5 | -43.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | L673 L676 E977 K978 L984 N985 L1126 | L673-A981 HydrophobicContact CD2-CB 3.61Å; L676-A981 HydrophobicContact CD1-CB 3.81Å; E977-A981 VanDerWaalsContact O-CB 3.26Å; E977-A981 WeakPolarHBondContact O-CB 3.1Å; E977-A981 PolarHBondContact O-N 3.3Å; K978-A981 PolarHBondContact O-N 3.38Å; K978-A981 VanDerWaalsContact O-N 3.16Å; A981-L984 PolarHBondContact O-N 2.96Å; A981-N985 PolarHBondContact O-N 3.28Å; A981-L1126 HydrophobicContact CB-CD2 4.16Å |
| 982 | E | 94.8 | Very high | 94.7 | Very high | 95 Ų | 95 | 37.3 Ų | 37.3 | 44% | 0.444 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.7 | -48.4 | -178.2 | -73.5 | -176.5 | 147.6 | 0 | 0 | 112.2 | K978 L984 N985 D986 | K978-E982 WeakPolarHBondContact CE-OE1 3.43Å; K978-E982 WeakPolarHBondContact CE-OE2 3.38Å; K978-E982 HydrophobicContact CG-CG 4.05Å; K978-E982 IonicContact NZ-OE1 3.74Å; K978-E982 IonicContact NZ-OE2 3.43Å; K978-E982 PolarHBondContact O-N 2.87Å; E982-L984 VanDerWaalsContact C-N 3.32Å; E982-L984 PolarHBondContact O-N 2.88Å; E982-N985 PolarHBondContact O-N 3.47Å; E982-D986 PolarHBondContact O-N 2.94Å |
| 983 | P | 95.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.4 | -39.5 | 172.2 | -30.3 | 38.4 | 0 | 0 | 0 | 114.6 | E979 D986 L987 V1073 W1075 L1078 | E979-P983 VanDerWaalsContact O-CD 3.27Å; E979-P983 WeakPolarHBondContact O-CD 3.25Å; E979-P983 VanDerWaalsContact O-CG 3.31Å; E979-P983 WeakPolarHBondContact O-CG 3.1Å; P983-D986 PolarHBondContact O-N 2.62Å; P983-L987 WeakPolarHBondContact O-CB 3.43Å; P983-L987 PolarHBondContact O-N 2.96Å; P983-V1073 HydrophobicContact CB-CG1 3.93Å; P983-V1073 HydrophobicContact CB-CG2 4.01Å; P983-V1073 HydrophobicContact CG-CG1 4.13Å; P983-V1073 HydrophobicContact CG-CG2 4.02Å; P983-W1075 HydrophobicContact CB-CH2 4.08Å; P983-W1075 HydrophobicContact CB-CZ2 4.38Å; P983-W1075 WeakPolarHBondContact O-CH2 3.46Å; P983-L1078 HydrophobicContact CB-CD1 4.21Å; P983-L1078 HydrophobicContact CB-CD2 4.41Å; P983-L1078 HydrophobicContact CG-CD1 4.24Å |
| 984 | L | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.4 | -36.7 | 179 | -73.5 | 171.9 | 0 | 0 | 0 | 112.3 | F678 I980 A981 E982 K988 W1075 L1078 L1126 V1129 Y1130 M1133 | F678-L984 HydrophobicContact CE1-CB 4.32Å; F678-L984 HydrophobicContact CZ-CB 4.23Å; I980-L984 HydrophobicContact CG2-CD1 3.97Å; I980-L984 WeakPolarHBondContact O-CG 3.3Å; I980-L984 PolarHBondContact O-N 3.27Å; A981-L984 PolarHBondContact O-N 2.96Å; E982-L984 VanDerWaalsContact C-N 3.32Å; E982-L984 PolarHBondContact O-N 2.88Å; L984-K988 PolarHBondContact O-N 2.94Å; L984-K988 VanDerWaalsContact O-N 3.12Å; L984-W1075 HydrophobicContact CD2-CZ3 4.46Å; L984-L1078 HydrophobicContact CD2-CD2 4.38Å; L984-L1078 HydrophobicContact CG-CD2 4.47Å; L984-L1126 HydrophobicContact CD1-CD2 4.13Å; L984-V1129 HydrophobicContact CB-CG1 4.15Å; L984-V1129 HydrophobicContact CD1-CG1 4.1Å; L984-Y1130 HydrophobicContact CD2-CD2 4.09Å; L984-M1133 HydrophobicContact CD2-CB 4.28Å |
| 985 | N | 95.6 | Very high | 94.8 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 17% | 0.171 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 171 | 173.7 | 66.2 | 0 | 0 | 0 | 111.6 | L676 F678 A981 E982 L987 K988 Q989 | L676-N985 HydrophobicContact CD1-CB 4.28Å; L676-N985 HydrophobicContact CD2-CB 4.08Å; F678-N985 HydrophobicContact CE1-CB 4.2Å; F678-N985 HydrophobicContact CZ-CB 3.84Å; A981-N985 PolarHBondContact O-N 3.28Å; E982-N985 PolarHBondContact O-N 3.47Å; N985-L987 VanDerWaalsContact C-N 3.33Å; N985-L987 PolarHBondContact O-N 2.85Å; N985-K988 WeakPolarHBondContact O-CB 3.33Å; N985-K988 PolarHBondContact O-N 2.87Å; N985-Q989 WeakPolarHBondContact O-CG 3.24Å; N985-Q989 PolarHBondContact O-N 3.3Å; N985-Q989 PolarHBondContact OD1-NE2 3.43Å |
| 986 | D | 96.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 34.5 Ų | 34.5 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.8 | -88.7 | -10 | 0 | 0 | 0 | 112.1 | E982 P983 Q989 A990 R1069 C1070 | E982-D986 PolarHBondContact O-N 2.94Å; P983-D986 PolarHBondContact O-N 2.62Å; D986-Q989 PolarHBondContact O-N 3.46Å; D986-A990 VanDerWaalsContact O-CB 3.27Å; D986-A990 WeakPolarHBondContact O-CB 3.27Å; D986-A990 PolarHBondContact O-N 3.31Å; D986-R1069 IonicContact OD1-CZ 3.91Å; D986-R1069 VanDerWaalsContact OD1-CZ 3.31Å; D986-R1069 IonicContact OD1-NE 2.73Å; D986-R1069 PolarHBondContact OD1-NE 2.96Å; D986-R1069 VanDerWaalsContact OD1-NE 3.11Å; D986-R1069 IonicContact OD1-NH2 3.07Å; D986-R1069 PolarHBondContact OD1-NH2 3.32Å; D986-R1069 VanDerWaalsContact OD2-CB 3.26Å; D986-R1069 WeakPolarHBondContact OD2-CB 3.27Å; D986-R1069 WeakPolarHBondContact OD2-CD 3Å; D986-R1069 IonicContact OD2-CZ 2.82Å; D986-R1069 IonicContact OD2-NE 2.7Å; D986-R1069 PolarHBondContact OD2-NE 2.8Å; D986-R1069 IonicContact OD2-NH2 3.36Å; D986-C1070 PolarHBondContact O-SG 3.33Å |
| 987 | L | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 173.4 | 178.1 | 56.7 | 0 | 0 | 0 | 111.8 | P983 N985 A990 V991 C1070 W1075 M1133 F1137 V1156 | P983-L987 WeakPolarHBondContact O-CB 3.43Å; P983-L987 PolarHBondContact O-N 2.96Å; N985-L987 VanDerWaalsContact C-N 3.33Å; N985-L987 PolarHBondContact O-N 2.85Å; L987-A990 PolarHBondContact O-N 2.69Å; L987-V991 HydrophobicContact CD1-CG2 4.27Å; L987-V991 VanDerWaalsContact O-CG2 3.31Å; L987-V991 WeakPolarHBondContact O-CG2 3.46Å; L987-V991 PolarHBondContact O-N 2.91Å; L987-C1070 WeakPolarHBondContact CA-SG 3.07Å; L987-C1070 PolarHBondContact N-SG 2.79Å; L987-W1075 HydrophobicContact CB-CH2 3.61Å; L987-W1075 HydrophobicContact CB-CZ2 4.09Å; L987-W1075 HydrophobicContact CB-CZ3 4.48Å; L987-W1075 HydrophobicContact CD2-CH2 3.61Å; L987-W1075 HydrophobicContact CD2-CZ2 4.34Å; L987-W1075 HydrophobicContact CD2-CZ3 3.68Å; L987-W1075 HydrophobicContact CG-CH2 4.16Å; L987-M1133 HydrophobicContact CB-CG 4.35Å; L987-M1133 HydrophobicContact CD2-CG 3.89Å; L987-M1133 HydrophobicContact CG-CE 4.1Å; L987-M1133 HydrophobicContact CG-CG 3.96Å; L987-F1137 HydrophobicContact CD1-CD2 3.93Å; L987-F1137 HydrophobicContact CD1-CG 4.47Å; L987-F1137 HydrophobicContact CD2-CB 4.4Å; L987-V1156 HydrophobicContact CD1-CG1 3.57Å; L987-V1156 HydrophobicContact CD1-CG2 4.49Å; L987-V1156 HydrophobicContact CD2-CG1 4.11Å; L987-V1156 HydrophobicContact CD2-CG2 3.94Å; L987-V1156 HydrophobicContact CG-CG1 4.41Å |
| 988 | K | 94.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 171.2 | 175.1 | -178.6 | 160 | 178.1 | 0 | 111.4 | D677 F678 D680 L984 N985 I992 M1133 | D677-K988 PolarHBondContact O-NZ 2.93Å; F678-K988 HydrophobicContact CD1-CD 3.99Å; F678-K988 HydrophobicContact CE1-CD 4.38Å; D680-K988 VanDerWaalsContact CG-NZ 3.35Å; D680-K988 WeakPolarHBondContact OD1-CE 3.4Å; D680-K988 IonicContact OD1-NZ 2.77Å; D680-K988 PolarHBondContact OD1-NZ 2.77Å; D680-K988 WeakPolarHBondContact OD2-CE 3.48Å; D680-K988 IonicContact OD2-NZ 2.88Å; D680-K988 PolarHBondContact OD2-NZ 3.45Å; L984-K988 PolarHBondContact O-N 2.94Å; L984-K988 VanDerWaalsContact O-N 3.12Å; N985-K988 WeakPolarHBondContact O-CB 3.33Å; N985-K988 PolarHBondContact O-N 2.87Å; K988-I992 HydrophobicContact CG-CD1 4.13Å; K988-I992 WeakPolarHBondContact O-CD1 3.43Å; K988-I992 WeakPolarHBondContact O-CG1 3.3Å; K988-I992 PolarHBondContact O-N 3.47Å; K988-M1133 HydrophobicContact CB-CE 4.49Å; K988-M1133 HydrophobicContact CB-SD 3.68Å; K988-M1133 HydrophobicContact CG-SD 4.36Å |
| 989 | Q | 95.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 32.6 Ų | 32.6 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 177.8 | -59.1 | -48.6 | -44.6 | 0 | 0 | 111.6 | N985 D986 V991 I992 E993 A1066 | N985-Q989 WeakPolarHBondContact O-CG 3.24Å; N985-Q989 PolarHBondContact O-N 3.3Å; N985-Q989 PolarHBondContact OD1-NE2 3.43Å; D986-Q989 PolarHBondContact O-N 3.46Å; Q989-V991 VanDerWaalsContact C-N 3.31Å; Q989-V991 PolarHBondContact O-N 3.04Å; Q989-I992 CarbonylContact O-C 3.28Å; Q989-I992 WeakPolarHBondContact O-CA 3.39Å; Q989-I992 WeakPolarHBondContact O-CB 3.46Å; Q989-I992 PolarHBondContact O-N 2.98Å; Q989-E993 WeakPolarHBondContact O-CG 3.02Å; Q989-E993 PolarHBondContact O-N 2.88Å; Q989-A1066 HydrophobicContact CB-CB 3.61Å |
| 990 | A | 95.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -40.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D986 L987 L994 A1066 L1067 | D986-A990 VanDerWaalsContact O-CB 3.27Å; D986-A990 WeakPolarHBondContact O-CB 3.27Å; D986-A990 PolarHBondContact O-N 3.31Å; L987-A990 PolarHBondContact O-N 2.69Å; A990-L994 WeakPolarHBondContact O-CB 3.39Å; A990-L994 PolarHBondContact O-N 2.94Å; A990-A1066 HydrophobicContact CB-CB 4.22Å; A990-L1067 HydrophobicContact CB-CB 3.88Å |
| 991 | V | 94.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 173.3 | 165.5 | 0 | 0 | 0 | 0 | 111.4 | V825 L987 Q989 I995 M1133 R1136 T1140 | V825-V991 HydrophobicContact CG1-CG1 3.33Å; L987-V991 HydrophobicContact CD1-CG2 4.27Å; L987-V991 VanDerWaalsContact O-CG2 3.31Å; L987-V991 WeakPolarHBondContact O-CG2 3.46Å; L987-V991 PolarHBondContact O-N 2.91Å; Q989-V991 VanDerWaalsContact C-N 3.31Å; Q989-V991 PolarHBondContact O-N 3.04Å; V991-I995 HydrophobicContact CG1-CD1 4.09Å; V991-I995 WeakPolarHBondContact O-CG1 3.21Å; V991-I995 PolarHBondContact O-N 3.16Å; V991-I995 VanDerWaalsContact O-N 3.15Å; V991-M1133 HydrophobicContact CB-CE 4.18Å; V991-M1133 HydrophobicContact CG2-CE 3.69Å; V991-R1136 HydrophobicContact CG1-CG 4.43Å; V991-T1140 HydrophobicContact CB-CG2 4.28Å; V991-T1140 HydrophobicContact CG1-CG2 3.9Å; V991-T1140 WeakPolarHBondContact CG1-OG1 3.5Å; V991-T1140 HydrophobicContact CG2-CG2 4Å |
| 992 | I | 93.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 27% | 0.272 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.1 | -45.2 | 177.9 | -65.6 | 165.2 | 0 | 0 | 0 | 111.1 | V825 K988 Q989 N996 | V825-I992 HydrophobicContact CG2-CG1 4.35Å; K988-I992 HydrophobicContact CG-CD1 4.13Å; K988-I992 WeakPolarHBondContact O-CD1 3.43Å; K988-I992 WeakPolarHBondContact O-CG1 3.3Å; K988-I992 PolarHBondContact O-N 3.47Å; Q989-I992 CarbonylContact O-C 3.28Å; Q989-I992 WeakPolarHBondContact O-CA 3.39Å; Q989-I992 WeakPolarHBondContact O-CB 3.46Å; Q989-I992 PolarHBondContact O-N 2.98Å; I992-N996 WeakPolarHBondContact O-CB 3.5Å; I992-N996 PolarHBondContact O-N 3.44Å; I992-N996 PolarHBondContact O-ND2 3.05Å |
| 993 | E | 94.5 | Very high | 94.5 | Very high | 49 Ų | 49 | 31 Ų | 31 | 23% | 0.229 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.1 | -51.3 | 174.6 | -73.1 | 171 | -177.1 | 0 | 0 | 110.6 | Q989 I995 N996 C997 L1064 G1065 A1066 L1067 | Q989-E993 WeakPolarHBondContact O-CG 3.02Å; Q989-E993 PolarHBondContact O-N 2.88Å; E993-I995 PolarHBondContact O-N 2.77Å; E993-N996 PolarHBondContact O-N 2.98Å; E993-C997 WeakPolarHBondContact O-CB 3.5Å; E993-C997 PolarHBondContact O-N 3Å; E993-L1064 HydrophobicContact CB-CD2 4.2Å; E993-L1064 VanDerWaalsContact OE2-C 3.22Å; E993-G1065 PolarHBondContact OE2-N 3.31Å; E993-A1066 VanDerWaalsContact OE1-CB 3.22Å; E993-A1066 WeakPolarHBondContact OE1-CB 3.47Å; E993-A1066 PolarHBondContact OE1-N 3.33Å; E993-A1066 VanDerWaalsContact OE1-N 3.14Å; E993-A1066 WeakPolarHBondContact OE2-CA 3.3Å; E993-A1066 VanDerWaalsContact OE2-CB 3.31Å; E993-A1066 WeakPolarHBondContact OE2-CB 3.27Å; E993-A1066 PolarHBondContact OE2-N 3.23Å; E993-L1067 PolarHBondContact OE2-N 3Å |
| 994 | L | 94.2 | Very high | 94.5 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.047 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | -178.5 | 178.8 | 59.8 | 0 | 0 | 0 | 113.1 | A990 L1000 T1140 L1144 F1159 L1163 | A990-L994 WeakPolarHBondContact O-CB 3.39Å; A990-L994 PolarHBondContact O-N 2.94Å; L994-L1000 HydrophobicContact CD1-CD2 3.35Å; L994-T1140 HydrophobicContact CD2-CG2 3.85Å; L994-L1144 HydrophobicContact CD2-CD1 4.23Å; L994-F1159 HydrophobicContact CD2-CE1 3.71Å; L994-F1159 HydrophobicContact CD2-CZ 3.66Å; L994-L1163 HydrophobicContact CD1-CD1 3.68Å; L994-L1163 HydrophobicContact CD2-CD1 4.32Å |
| 995 | I | 92.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 35.1 Ų | 35.1 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.9 | -27.5 | 179.6 | -67.7 | 173.2 | 0 | 0 | 0 | 111.7 | V825 V991 E993 R1001 T1140 | V825-I995 HydrophobicContact CB-CD1 4.22Å; V825-I995 HydrophobicContact CG1-CD1 3.89Å; V825-I995 HydrophobicContact CG2-CD1 4.2Å; V991-I995 HydrophobicContact CG1-CD1 4.09Å; V991-I995 WeakPolarHBondContact O-CG1 3.21Å; V991-I995 PolarHBondContact O-N 3.16Å; V991-I995 VanDerWaalsContact O-N 3.15Å; E993-I995 PolarHBondContact O-N 2.77Å; I995-R1001 PolarHBondContact O-NH1 3.38Å; I995-T1140 HydrophobicContact CD1-CG2 4.14Å; I995-T1140 HydrophobicContact CG1-CG2 4.29Å |
| 996 | N | 91.5 | Very high | 94.3 | Very high | 106 Ų | 106 | 34 Ų | 34 | 57% | 0.567 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -87.3 | -23.8 | 177.2 | -74.4 | -76.6 | 0 | 0 | 0 | 113.8 | I992 E993 K998 R1001 | I992-N996 WeakPolarHBondContact O-CB 3.5Å; I992-N996 PolarHBondContact O-N 3.44Å; I992-N996 PolarHBondContact O-ND2 3.05Å; E993-N996 PolarHBondContact O-N 2.98Å; N996-K998 PolarHBondContact O-N 3.5Å; N996-R1001 PolarHBondContact O-NH2 3.33Å |
| 997 | C | 93.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | trans | -52.8 | 116.6 | -177.3 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | E993 L1000 R1001 L1060 E1063 L1064 | E993-C997 WeakPolarHBondContact O-CB 3.5Å; E993-C997 PolarHBondContact O-N 3Å; C997-L1000 HydrophobicContact CB-CB 4.23Å; C997-L1000 VanDerWaalsContact SG-CB 3.51Å; C997-L1000 PolarHBondContact SG-N 2.86Å; C997-R1001 VanDerWaalsContact O-CZ 3.25Å; C997-R1001 PolarHBondContact O-NE 3.45Å; C997-R1001 PolarHBondContact O-NH2 3.33Å; C997-R1001 VanDerWaalsContact O-NH2 3.08Å; C997-L1060 WeakPolarHBondContact SG-CD1 3.32Å; C997-E1063 PolarHBondContact SG-OE2 2.77Å; C997-L1064 HydrophobicContact CB-CD2 4.15Å | ||
| 998 | K | 92.6 | Very high | 94.1 | Very high | 107 Ų | 107 | 34.9 Ų | 34.9 | 47% | 0.465 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -79.2 | -44.5 | 175.9 | -68.2 | 179.7 | 177.1 | -178.2 | 0 | 111.4 | N996 L1000 R1001 Y1002 D1056 | N996-K998 PolarHBondContact O-N 3.5Å; K998-L1000 VanDerWaalsContact C-N 3.29Å; K998-L1000 PolarHBondContact O-N 3.02Å; K998-R1001 WeakPolarHBondContact O-CA 3.5Å; K998-R1001 WeakPolarHBondContact O-CB 3.4Å; K998-R1001 PolarHBondContact O-N 3.28Å; K998-Y1002 HydrophobicContact CB-CE2 3.88Å; K998-Y1002 PolarHBondContact O-N 2.92Å; K998-D1056 IonicContact NZ-OD2 3.62Å |
| 999 | T | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | -175.6 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | Y1002 I1003 T1058 L1060 Y1170 | T999-Y1002 PolarHBondContact O-N 2.85Å; T999-I1003 HydrophobicContact CG2-CD1 3.95Å; T999-I1003 WeakPolarHBondContact O-CD1 3.45Å; T999-I1003 VanDerWaalsContact O-CG1 3.26Å; T999-I1003 WeakPolarHBondContact O-CG1 3.49Å; T999-I1003 PolarHBondContact O-N 3.01Å; T999-T1058 PolarHBondContact OG1-N 2.82Å; T999-T1058 PolarHBondContact OG1-OG1 3.39Å; T999-L1060 HydrophobicContact CG2-CB 4.29Å; T999-Y1170 HydrophobicContact CG2-CE1 3.97Å |
| 1000 | L | 94.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 172.9 | -174.8 | 62.5 | 0 | 0 | 0 | 111.9 | L994 C997 K998 Y1002 I1003 L1004 L1027 L1060 L1163 | L994-L1000 HydrophobicContact CD1-CD2 3.35Å; C997-L1000 HydrophobicContact CB-CB 4.23Å; C997-L1000 VanDerWaalsContact SG-CB 3.51Å; C997-L1000 PolarHBondContact SG-N 2.86Å; K998-L1000 VanDerWaalsContact C-N 3.29Å; K998-L1000 PolarHBondContact O-N 3.02Å; L1000-Y1002 VanDerWaalsContact C-N 3.32Å; L1000-Y1002 PolarHBondContact O-N 3.09Å; L1000-I1003 WeakPolarHBondContact O-CB 3.48Å; L1000-I1003 PolarHBondContact O-N 3.11Å; L1000-L1004 HydrophobicContact CD1-CD1 4.26Å; L1000-L1004 HydrophobicContact CD1-CD2 4.35Å; L1000-L1004 HydrophobicContact CD1-CG 4.1Å; L1000-L1004 HydrophobicContact CD2-CD1 4.47Å; L1000-L1004 HydrophobicContact CG-CD1 3.92Å; L1000-L1004 HydrophobicContact CG-CG 4.17Å; L1000-L1004 WeakPolarHBondContact O-CB 3.49Å; L1000-L1004 VanDerWaalsContact O-CG 3.25Å; L1000-L1004 WeakPolarHBondContact O-CG 3.48Å; L1000-L1004 PolarHBondContact O-N 3.08Å; L1000-L1027 HydrophobicContact CD1-CD1 4.48Å; L1000-L1060 HydrophobicContact CB-CD1 3.99Å; L1000-L1060 HydrophobicContact CD1-CD2 4.35Å; L1000-L1163 HydrophobicContact CD1-CD2 4.22Å; L1000-L1163 HydrophobicContact CD2-CD2 4.47Å |
| 1001 | R | 93.7 | Very high | 93.6 | Very high | 95 Ų | 95 | 36.9 Ų | 36.9 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62 | -37.8 | 177.1 | -74.4 | -176.1 | -72 | -107 | -10 | 112.8 | I995 N996 C997 K998 S1005 Y1143 | I995-R1001 PolarHBondContact O-NH1 3.38Å; N996-R1001 PolarHBondContact O-NH2 3.33Å; C997-R1001 VanDerWaalsContact O-CZ 3.25Å; C997-R1001 PolarHBondContact O-NE 3.45Å; C997-R1001 PolarHBondContact O-NH2 3.33Å; C997-R1001 VanDerWaalsContact O-NH2 3.08Å; K998-R1001 WeakPolarHBondContact O-CA 3.5Å; K998-R1001 WeakPolarHBondContact O-CB 3.4Å; K998-R1001 PolarHBondContact O-N 3.28Å; R1001-S1005 VanDerWaalsContact O-CB 3.27Å; R1001-S1005 WeakPolarHBondContact O-CB 3.38Å; R1001-S1005 PolarHBondContact O-N 2.95Å; R1001-Y1143 PolarHBondContact NH1-OH 3.1Å |
| 1002 | Y | 94.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -48.1 | 173.9 | -59.4 | -34.5 | 0 | 0 | 0 | 111.4 | K998 T999 L1000 L1004 S1005 V1006 F1054 D1056 | K998-Y1002 HydrophobicContact CB-CE2 3.88Å; K998-Y1002 PolarHBondContact O-N 2.92Å; T999-Y1002 PolarHBondContact O-N 2.85Å; L1000-Y1002 VanDerWaalsContact C-N 3.32Å; L1000-Y1002 PolarHBondContact O-N 3.09Å; Y1002-L1004 PolarHBondContact O-N 3.35Å; Y1002-S1005 PolarHBondContact O-N 3.01Å; Y1002-V1006 WeakPolarHBondContact O-CG2 3.33Å; Y1002-V1006 PolarHBondContact O-N 3.28Å; Y1002-F1054 HydrophobicContact CD1-CB 4.4Å; Y1002-F1054 AromaticContact CD1-CD1 3.75Å; Y1002-F1054 HydrophobicContact CD1-CD1 3.75Å; Y1002-F1054 HydrophobicContact CD1-CD2 4.16Å; Y1002-F1054 HydrophobicContact CD1-CE1 4.07Å; Y1002-F1054 HydrophobicContact CD1-CE2 4.45Å; Y1002-F1054 AromaticContact CD1-CG 3.81Å; Y1002-F1054 HydrophobicContact CD1-CG 3.81Å; Y1002-F1054 HydrophobicContact CD1-CZ 4.41Å; Y1002-F1054 HydrophobicContact CD2-CB 3.7Å; Y1002-F1054 AromaticContact CD2-CG 4Å; Y1002-F1054 HydrophobicContact CD2-CG 4Å; Y1002-F1054 AromaticContact CE1-CD1 3.85Å; Y1002-F1054 HydrophobicContact CE1-CD1 3.85Å; Y1002-F1054 HydrophobicContact CE1-CE1 4.3Å; Y1002-F1054 HydrophobicContact CE1-CG 4.24Å; Y1002-F1054 HydrophobicContact CE2-CB 4.01Å; Y1002-F1054 HydrophobicContact CE2-CG 4.42Å; Y1002-F1054 HydrophobicContact CG-CB 3.94Å; Y1002-F1054 HydrophobicContact CG-CD1 4.13Å; Y1002-F1054 AromaticContact CG-CD2 3.91Å; Y1002-F1054 HydrophobicContact CG-CD2 3.91Å; Y1002-F1054 AromaticContact CG-CG 3.69Å; Y1002-F1054 HydrophobicContact CG-CG 3.69Å; Y1002-D1056 PolarHBondContact OH-OD2 3.26Å |
| 1003 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | 175.1 | -70.3 | 163.5 | 0 | 0 | 0 | 111.3 | T999 L1000 S1005 V1006 L1007 V1046 V1050 L1060 F1166 Y1170 | T999-I1003 HydrophobicContact CG2-CD1 3.95Å; T999-I1003 WeakPolarHBondContact O-CD1 3.45Å; T999-I1003 VanDerWaalsContact O-CG1 3.26Å; T999-I1003 WeakPolarHBondContact O-CG1 3.49Å; T999-I1003 PolarHBondContact O-N 3.01Å; L1000-I1003 WeakPolarHBondContact O-CB 3.48Å; L1000-I1003 PolarHBondContact O-N 3.11Å; I1003-S1005 VanDerWaalsContact C-N 3.33Å; I1003-S1005 PolarHBondContact O-N 3.21Å; I1003-V1006 PolarHBondContact O-N 3.2Å; I1003-L1007 VanDerWaalsContact O-CB 3.22Å; I1003-L1007 WeakPolarHBondContact O-CB 2.95Å; I1003-L1007 PolarHBondContact O-N 2.83Å; I1003-V1046 HydrophobicContact CG2-CG1 4.17Å; I1003-V1050 HydrophobicContact CG1-CG2 4.14Å; I1003-L1060 HydrophobicContact CD1-CD2 3.89Å; I1003-F1166 HydrophobicContact CD1-CE1 4.15Å; I1003-F1166 HydrophobicContact CD1-CZ 4.28Å; I1003-F1166 HydrophobicContact CG2-CE1 4.01Å; I1003-F1166 HydrophobicContact CG2-CZ 3.68Å; I1003-Y1170 HydrophobicContact CD1-CD1 4.05Å; I1003-Y1170 HydrophobicContact CD1-CD2 3.65Å; I1003-Y1170 HydrophobicContact CD1-CE1 3.91Å; I1003-Y1170 HydrophobicContact CD1-CE2 3.5Å; I1003-Y1170 VanDerWaalsContact CD1-CE2 3.5Å; I1003-Y1170 HydrophobicContact CD1-CG 3.93Å; I1003-Y1170 HydrophobicContact CG1-CD2 4.18Å; I1003-Y1170 HydrophobicContact CG1-CE2 3.69Å |
| 1004 | L | 95 | Very high | 93 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | -178.6 | -64.2 | 177.4 | 0 | 0 | 0 | 112 | L1000 Y1002 L1008 F1022 L1024 L1027 | L1000-L1004 HydrophobicContact CD1-CD1 4.26Å; L1000-L1004 HydrophobicContact CD1-CD2 4.35Å; L1000-L1004 HydrophobicContact CD1-CG 4.1Å; L1000-L1004 HydrophobicContact CD2-CD1 4.47Å; L1000-L1004 HydrophobicContact CG-CD1 3.92Å; L1000-L1004 HydrophobicContact CG-CG 4.17Å; L1000-L1004 WeakPolarHBondContact O-CB 3.49Å; L1000-L1004 VanDerWaalsContact O-CG 3.25Å; L1000-L1004 WeakPolarHBondContact O-CG 3.48Å; L1000-L1004 PolarHBondContact O-N 3.08Å; Y1002-L1004 PolarHBondContact O-N 3.35Å; L1004-L1008 VanDerWaalsContact O-CB 3.25Å; L1004-L1008 WeakPolarHBondContact O-CB 3.16Å; L1004-L1008 PolarHBondContact O-N 3.31Å; L1004-F1022 HydrophobicContact CB-CZ 4.35Å; L1004-F1022 HydrophobicContact CD2-CE2 3.74Å; L1004-F1022 HydrophobicContact CD2-CZ 3.47Å; L1004-F1022 VanDerWaalsContact CD2-CZ 3.47Å; L1004-L1024 HydrophobicContact CD1-CD2 4.09Å; L1004-L1024 HydrophobicContact CD2-CD2 3.55Å; L1004-L1024 HydrophobicContact CG-CD2 4.44Å; L1004-L1027 HydrophobicContact CD2-CD1 4.49Å; L1004-L1027 HydrophobicContact CD2-CD2 4.05Å |
| 1005 | S | 92.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 51% | 0.51 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.9 | -49.3 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | R1001 Y1002 I1003 L1007 L1008 S1009 | R1001-S1005 VanDerWaalsContact O-CB 3.27Å; R1001-S1005 WeakPolarHBondContact O-CB 3.38Å; R1001-S1005 PolarHBondContact O-N 2.95Å; Y1002-S1005 PolarHBondContact O-N 3.01Å; I1003-S1005 VanDerWaalsContact C-N 3.33Å; I1003-S1005 PolarHBondContact O-N 3.21Å; S1005-L1007 PolarHBondContact O-N 3.32Å; S1005-L1008 PolarHBondContact O-N 3.48Å; S1005-S1009 PolarHBondContact O-N 3.33Å |
| 1006 | V | 94.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.7 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | Y1002 I1003 S1009 I1010 V1046 I1049 V1050 F1054 | Y1002-V1006 WeakPolarHBondContact O-CG2 3.33Å; Y1002-V1006 PolarHBondContact O-N 3.28Å; I1003-V1006 PolarHBondContact O-N 3.2Å; V1006-S1009 WeakPolarHBondContact O-CB 3.34Å; V1006-S1009 PolarHBondContact O-N 3.07Å; V1006-I1010 HydrophobicContact CG1-CD1 3.65Å; V1006-I1010 HydrophobicContact CG1-CG1 4.46Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.19Å; V1006-I1010 PolarHBondContact O-N 3.36Å; V1006-V1046 HydrophobicContact CG1-CB 4.42Å; V1006-V1046 HydrophobicContact CG1-CG1 4.13Å; V1006-V1046 HydrophobicContact CG1-CG2 4.44Å; V1006-I1049 HydrophobicContact CB-CG2 4.46Å; V1006-I1049 HydrophobicContact CG1-CB 3.92Å; V1006-I1049 HydrophobicContact CG1-CG2 3.63Å; V1006-I1049 HydrophobicContact CG2-CG2 3.92Å; V1006-V1050 HydrophobicContact CB-CG2 4.05Å; V1006-V1050 HydrophobicContact CG1-CG2 4.38Å; V1006-V1050 HydrophobicContact CG2-CG2 3.76Å; V1006-F1054 HydrophobicContact CG2-CE2 3.84Å |
| 1007 | L | 94.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 178.9 | 179.7 | 54.4 | 0 | 0 | 0 | 112.9 | I1003 S1005 S1009 I1010 G1011 F1022 Y1026 L1027 L1030 L1042 V1046 | I1003-L1007 VanDerWaalsContact O-CB 3.22Å; I1003-L1007 WeakPolarHBondContact O-CB 2.95Å; I1003-L1007 PolarHBondContact O-N 2.83Å; S1005-L1007 PolarHBondContact O-N 3.32Å; L1007-S1009 VanDerWaalsContact C-N 3.3Å; L1007-S1009 PolarHBondContact O-N 3.21Å; L1007-I1010 PolarHBondContact O-N 3.45Å; L1007-G1011 PolarHBondContact O-N 2.97Å; L1007-F1022 HydrophobicContact CB-CE1 4.18Å; L1007-F1022 HydrophobicContact CB-CZ 4.02Å; L1007-F1022 HydrophobicContact CD2-CE1 4.2Å; L1007-F1022 HydrophobicContact CD2-CE2 3.78Å; L1007-F1022 HydrophobicContact CD2-CZ 3.47Å; L1007-F1022 VanDerWaalsContact CD2-CZ 3.47Å; L1007-F1022 HydrophobicContact CG-CE1 3.92Å; L1007-F1022 HydrophobicContact CG-CE2 4.37Å; L1007-F1022 HydrophobicContact CG-CZ 3.69Å; L1007-Y1026 HydrophobicContact CD1-CE1 4.32Å; L1007-Y1026 HydrophobicContact CD2-CD1 4.42Å; L1007-L1027 HydrophobicContact CD2-CD2 3.86Å; L1007-L1030 HydrophobicContact CD1-CD2 3.61Å; L1007-L1030 HydrophobicContact CD2-CD1 3.65Å; L1007-L1030 HydrophobicContact CD2-CD2 3.73Å; L1007-L1030 HydrophobicContact CD2-CG 4.23Å; L1007-L1030 HydrophobicContact CG-CD2 4.35Å; L1007-L1042 HydrophobicContact CD1-CD2 4.26Å; L1007-V1046 HydrophobicContact CB-CG2 4.36Å; L1007-V1046 HydrophobicContact CD1-CG2 4.16Å |
| 1008 | L | 93.6 | Very high | 92 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.2 | -177 | 62.8 | 0 | 0 | 0 | 111.1 | L1004 S1005 N1012 A1019 F1022 | L1004-L1008 VanDerWaalsContact O-CB 3.25Å; L1004-L1008 WeakPolarHBondContact O-CB 3.16Å; L1004-L1008 PolarHBondContact O-N 3.31Å; S1005-L1008 PolarHBondContact O-N 3.48Å; L1008-N1012 VanDerWaalsContact O-CB 3.28Å; L1008-N1012 WeakPolarHBondContact O-CB 3.46Å; L1008-N1012 PolarHBondContact O-N 3.43Å; L1008-N1012 PolarHBondContact O-ND2 3.3Å; L1008-A1019 HydrophobicContact CD1-CB 4.48Å; L1008-F1022 HydrophobicContact CB-CD1 4.34Å; L1008-F1022 HydrophobicContact CB-CE1 4Å; L1008-F1022 HydrophobicContact CD1-CD1 4.02Å |
| 1009 | S | 92.2 | Very high | 91.8 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.3 | -51.4 | 176.5 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | S1005 V1006 L1007 N1012 F1013 | S1005-S1009 PolarHBondContact O-N 3.33Å; V1006-S1009 WeakPolarHBondContact O-CB 3.34Å; V1006-S1009 PolarHBondContact O-N 3.07Å; L1007-S1009 VanDerWaalsContact C-N 3.3Å; L1007-S1009 PolarHBondContact O-N 3.21Å; S1009-N1012 PolarHBondContact O-N 2.82Å; S1009-F1013 WeakPolarHBondContact O-CB 3.27Å; S1009-F1013 PolarHBondContact O-N 2.97Å |
| 1010 | I | 92 | Very high | 91.6 | Very high | 28 Ų | 28 | 67 Ų | 67 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 178.4 | -63.2 | 163.8 | 0 | 0 | 0 | 110.9 | V1006 L1007 N1012 F1013 L1014 L1042 V1046 I1049 | V1006-I1010 HydrophobicContact CG1-CD1 3.65Å; V1006-I1010 HydrophobicContact CG1-CG1 4.46Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.19Å; V1006-I1010 PolarHBondContact O-N 3.36Å; L1007-I1010 PolarHBondContact O-N 3.45Å; I1010-N1012 PolarHBondContact O-N 3.04Å; I1010-F1013 PolarHBondContact O-N 2.92Å; I1010-L1014 HydrophobicContact CG2-CD1 3.65Å; I1010-L1014 HydrophobicContact CG2-CG 4.09Å; I1010-L1014 WeakPolarHBondContact O-CB 3.41Å; I1010-L1014 WeakPolarHBondContact O-CG 3.26Å; I1010-L1014 PolarHBondContact O-N 3.1Å; I1010-L1042 HydrophobicContact CG2-CD1 3.84Å; I1010-V1046 HydrophobicContact CD1-CG2 3.86Å; I1010-I1049 HydrophobicContact CD1-CD1 3.78Å; I1010-I1049 HydrophobicContact CG1-CD1 4.46Å |
| 1011 | G | 90.3 | Very high | 91.2 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1007 N1015 | L1007-G1011 PolarHBondContact O-N 2.97Å; G1011-N1015 WeakPolarHBondContact O-CB 3.28Å; G1011-N1015 VanDerWaalsContact O-CG 3.24Å; G1011-N1015 PolarHBondContact O-N 2.84Å; G1011-N1015 PolarHBondContact O-ND2 3.42Å |
| 1012 | N | 92.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 17% | 0.166 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 174.7 | -84.4 | -32.5 | 0 | 0 | 0 | 112.7 | L1008 S1009 I1010 G1016 S1017 T1018 A1019 | L1008-N1012 VanDerWaalsContact O-CB 3.28Å; L1008-N1012 WeakPolarHBondContact O-CB 3.46Å; L1008-N1012 PolarHBondContact O-N 3.43Å; L1008-N1012 PolarHBondContact O-ND2 3.3Å; S1009-N1012 PolarHBondContact O-N 2.82Å; I1010-N1012 PolarHBondContact O-N 3.04Å; N1012-G1016 CarbonylContact O-C 3.52Å; N1012-G1016 WeakPolarHBondContact O-CA 3.48Å; N1012-G1016 PolarHBondContact O-N 2.87Å; N1012-S1017 WeakPolarHBondContact CB-O 3.29Å; N1012-S1017 PolarHBondContact O-N 3.04Å; N1012-S1017 PolarHBondContact OD1-O 3.06Å; N1012-S1017 PolarHBondContact OD1-OG 3.41Å; N1012-T1018 PolarHBondContact OD1-N 3.28Å; N1012-A1019 PolarHBondContact ND2-O 3.39Å; N1012-A1019 WeakPolarHBondContact OD1-CB 3.34Å; N1012-A1019 PolarHBondContact OD1-N 3.13Å |
| 1013 | F | 90.4 | Very high | 90.9 | Very high | 172 Ų | 172 | 66.9 Ų | 66.9 | 75% | 0.754 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.2 | -50.7 | 175.8 | 178.2 | -101.4 | 0 | 0 | 0 | 112.3 | S1009 I1010 N1015 G1016 | S1009-F1013 WeakPolarHBondContact O-CB 3.27Å; S1009-F1013 PolarHBondContact O-N 2.97Å; I1010-F1013 PolarHBondContact O-N 2.92Å; F1013-N1015 PolarHBondContact O-N 3.47Å; F1013-G1016 PolarHBondContact O-N 3.05Å |
| 1014 | L | 88.6 | Confident | 90.7 | Very high | 112 Ų | 112 | 67.2 Ų | 67.2 | 59% | 0.586 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.4 | -34.6 | -177.3 | -67.7 | 177.8 | 0 | 0 | 0 | 113.2 | I1010 | I1010-L1014 HydrophobicContact CG2-CD1 3.65Å; I1010-L1014 HydrophobicContact CG2-CG 4.09Å; I1010-L1014 WeakPolarHBondContact O-CB 3.41Å; I1010-L1014 WeakPolarHBondContact O-CG 3.26Å; I1010-L1014 PolarHBondContact O-N 3.1Å |
| 1015 | N | 89 | Confident | 90.4 | Very high | 129 Ų | 129 | 67.3 Ų | 67.3 | 69% | 0.69 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -91 | -3.8 | -179.4 | -61.8 | -35.3 | 0 | 0 | 0 | 113.6 | G1011 F1013 S1017 | G1011-N1015 WeakPolarHBondContact O-CB 3.28Å; G1011-N1015 VanDerWaalsContact O-CG 3.24Å; G1011-N1015 PolarHBondContact O-N 2.84Å; G1011-N1015 PolarHBondContact O-ND2 3.42Å; F1013-N1015 PolarHBondContact O-N 3.47Å; N1015-S1017 PolarHBondContact O-N 2.85Å |
| 1016 | G | 85.9 | Confident | 90.4 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 24.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1012 F1013 | N1012-G1016 CarbonylContact O-C 3.52Å; N1012-G1016 WeakPolarHBondContact O-CA 3.48Å; N1012-G1016 PolarHBondContact O-N 2.87Å; F1013-G1016 PolarHBondContact O-N 3.05Å |
| 1017 | S | 88.2 | Confident | 90.4 | Very high | 44 Ų | 44 | 67.4 Ų | 67.4 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | trans | -102.8 | 164.8 | -171.9 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | N1012 N1015 | N1012-S1017 WeakPolarHBondContact CB-O 3.29Å; N1012-S1017 PolarHBondContact O-N 3.04Å; N1012-S1017 PolarHBondContact OD1-O 3.06Å; N1012-S1017 PolarHBondContact OD1-OG 3.41Å; N1015-S1017 PolarHBondContact O-N 2.85Å | ||
| 1018 | T | 88.5 | Confident | 90.2 | Very high | 137 Ų | 137 | 68.8 Ų | 68.8 | 84% | 0.84 | 39% | 0.393 | S | S | * | . | trans | -122.5 | 37.6 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | N1012 | N1012-T1018 PolarHBondContact OD1-N 3.28Š| ||
| 1019 | A | 87.2 | Confident | 90.1 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | trans | -61.6 | 144.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1008 N1012 | L1008-A1019 HydrophobicContact CD1-CB 4.48Å; N1012-A1019 PolarHBondContact ND2-O 3.39Å; N1012-A1019 WeakPolarHBondContact OD1-CB 3.34Å; N1012-A1019 PolarHBondContact OD1-N 3.13Å | ||
| 1020 | R | 88.5 | Confident | 90.2 | Very high | 247 Ų | 247 | 67.5 Ų | 67.5 | 93% | 0.932 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -95.3 | -1.6 | -180 | -63.8 | -174.5 | 178.8 | -172 | -0.7 | 114 | ||
| 1021 | G | 88.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 67.6 Ų | 67.6 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | trans | 174.8 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1022 | F | 91.2 | Very high | 90.2 | Very high | 50 Ų | 50 | 73 Ų | 73 | 22% | 0.219 | 40% | 0.395 | C | S | . | . | trans | -146.1 | 161.2 | 176.9 | 57 | -94 | 0 | 0 | 0 | 109.9 | L1004 L1007 L1008 L1027 Y1146 | L1004-F1022 HydrophobicContact CB-CZ 4.35Å; L1004-F1022 HydrophobicContact CD2-CE2 3.74Å; L1004-F1022 HydrophobicContact CD2-CZ 3.47Å; L1004-F1022 VanDerWaalsContact CD2-CZ 3.47Å; L1007-F1022 HydrophobicContact CB-CE1 4.18Å; L1007-F1022 HydrophobicContact CB-CZ 4.02Å; L1007-F1022 HydrophobicContact CD2-CE1 4.2Å; L1007-F1022 HydrophobicContact CD2-CE2 3.78Å; L1007-F1022 HydrophobicContact CD2-CZ 3.47Å; L1007-F1022 VanDerWaalsContact CD2-CZ 3.47Å; L1007-F1022 HydrophobicContact CG-CE1 3.92Å; L1007-F1022 HydrophobicContact CG-CE2 4.37Å; L1007-F1022 HydrophobicContact CG-CZ 3.69Å; L1008-F1022 HydrophobicContact CB-CD1 4.34Å; L1008-F1022 HydrophobicContact CB-CE1 4Å; L1008-F1022 HydrophobicContact CD1-CD1 4.02Å; F1022-L1027 HydrophobicContact CE2-CD2 4.28Å; F1022-Y1146 WeakPolarHBondContact O-CE2 3.41Å; F1022-Y1146 PolarHBondContact O-OH 3.06Å | ||
| 1023 | T | 89.1 | Confident | 90.1 | Very high | 43 Ų | 43 | 74.6 Ų | 74.6 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | trans | -77.8 | 135.4 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | T831 D1025 Y1026 Y1146 | T831-T1023 HydrophobicContact CG2-CG2 3.46Å; T831-T1023 VanDerWaalsContact CG2-CG2 3.46Å; T1023-D1025 WeakPolarHBondContact CB-OD2 3.3Å; T1023-D1025 PolarHBondContact O-N 3.16Å; T1023-D1025 PolarHBondContact OG1-OD2 2.94Å; T1023-Y1026 WeakPolarHBondContact O-CB 3.3Å; T1023-Y1026 PolarHBondContact O-N 2.7Å; T1023-Y1146 WeakPolarHBondContact CA-OH 3.33Å; T1023-Y1146 HydrophobicContact CG2-CD2 3.83Å; T1023-Y1146 HydrophobicContact CG2-CE2 3.6Å | ||
| 1024 | L | 91.5 | Very high | 90.1 | Very high | 6 Ų | 6 | 72.6 Ų | 72.6 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -60.8 | -17.8 | -176.5 | -72.6 | 165.7 | 0 | 0 | 0 | 113.5 | L1004 Y1026 L1027 L1144 Y1146 F1159 I1162 | L1004-L1024 HydrophobicContact CD1-CD2 4.09Å; L1004-L1024 HydrophobicContact CD2-CD2 3.55Å; L1004-L1024 HydrophobicContact CG-CD2 4.44Å; L1024-Y1026 PolarHBondContact O-N 3.13Å; L1024-Y1026 VanDerWaalsContact O-N 3.08Å; L1024-L1027 HydrophobicContact CB-CD1 4.42Å; L1024-L1027 HydrophobicContact CD2-CD1 3.46Å; L1024-L1027 VanDerWaalsContact CD2-CD1 3.46Å; L1024-L1027 HydrophobicContact CD2-CG 4.08Å; L1024-L1027 WeakPolarHBondContact O-CB 3.4Å; L1024-L1027 WeakPolarHBondContact O-CG 3.16Å; L1024-L1027 PolarHBondContact O-N 3.25Å; L1024-L1144 HydrophobicContact CD1-CB 3.83Å; L1024-L1144 HydrophobicContact CD1-CD1 3.52Å; L1024-L1144 HydrophobicContact CD1-CD2 4.48Å; L1024-L1144 HydrophobicContact CD1-CG 4.11Å; L1024-Y1146 WeakPolarHBondContact CG-OH 3.39Å; L1024-Y1146 PolarHBondContact N-OH 2.67Å; L1024-F1159 HydrophobicContact CD1-CE2 3.83Å; L1024-F1159 HydrophobicContact CD1-CZ 4.32Å; L1024-I1162 WeakPolarHBondContact O-CG2 3.34Å |
| 1025 | D | 90.4 | Very high | 90.1 | Very high | 33 Ų | 33 | 69 Ų | 69 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -41.7 | -39 | 164.3 | -52.9 | -49.2 | 0 | 0 | 0 | 112.8 | I832 T1023 L1027 R1150 | I832-D1025 WeakPolarHBondContact CG1-OD1 3.3Å; T1023-D1025 WeakPolarHBondContact CB-OD2 3.3Å; T1023-D1025 PolarHBondContact O-N 3.16Å; T1023-D1025 PolarHBondContact OG1-OD2 2.94Å; D1025-L1027 VanDerWaalsContact C-N 3.27Å; D1025-L1027 PolarHBondContact O-N 3.45Å; D1025-R1150 IonicContact OD1-NH2 3.25Å; D1025-R1150 IonicContact OD2-CZ 3.97Å; D1025-R1150 IonicContact OD2-NH1 3.17Å; D1025-R1150 PolarHBondContact OD2-NH1 3.14Å; D1025-R1150 IonicContact OD2-NH2 2.82Å; D1025-R1150 PolarHBondContact OD2-NH2 2.98Å |
| 1026 | Y | 92 | Very high | 89.9 | Confident | 82 Ų | 82 | 69 Ų | 69 | 32% | 0.322 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -70.2 | -18 | -175.8 | -172 | -109.8 | 0 | 0 | 0 | 114.1 | L1007 T1023 L1024 G1028 R1029 L1030 | L1007-Y1026 HydrophobicContact CD1-CE1 4.32Å; L1007-Y1026 HydrophobicContact CD2-CD1 4.42Å; T1023-Y1026 WeakPolarHBondContact O-CB 3.3Å; T1023-Y1026 PolarHBondContact O-N 2.7Å; L1024-Y1026 PolarHBondContact O-N 3.13Å; L1024-Y1026 VanDerWaalsContact O-N 3.08Å; Y1026-G1028 PolarHBondContact O-N 2.86Å; Y1026-R1029 HydrophobicContact CD2-CB 4.26Å; Y1026-R1029 HydrophobicContact CE2-CB 4.14Å; Y1026-R1029 PolarHBondContact O-N 2.82Å; Y1026-L1030 HydrophobicContact CD1-CD2 4.21Å; Y1026-L1030 HydrophobicContact CE1-CD2 3.78Å |
| 1027 | L | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -59.2 | -35.7 | -178.6 | -68.9 | -178.5 | 0 | 0 | 0 | 112.6 | L1000 L1004 L1007 F1022 L1024 D1025 R1029 L1030 L1163 F1166 | L1000-L1027 HydrophobicContact CD1-CD1 4.48Å; L1004-L1027 HydrophobicContact CD2-CD1 4.49Å; L1004-L1027 HydrophobicContact CD2-CD2 4.05Å; L1007-L1027 HydrophobicContact CD2-CD2 3.86Å; F1022-L1027 HydrophobicContact CE2-CD2 4.28Å; L1024-L1027 HydrophobicContact CB-CD1 4.42Å; L1024-L1027 HydrophobicContact CD2-CD1 3.46Å; L1024-L1027 VanDerWaalsContact CD2-CD1 3.46Å; L1024-L1027 HydrophobicContact CD2-CG 4.08Å; L1024-L1027 WeakPolarHBondContact O-CB 3.4Å; L1024-L1027 WeakPolarHBondContact O-CG 3.16Å; L1024-L1027 PolarHBondContact O-N 3.25Å; D1025-L1027 VanDerWaalsContact C-N 3.27Å; D1025-L1027 PolarHBondContact O-N 3.45Å; L1027-R1029 PolarHBondContact O-N 2.74Å; L1027-L1030 HydrophobicContact CB-CD1 4.47Å; L1027-L1030 HydrophobicContact CD2-CD1 3.73Å; L1027-L1030 WeakPolarHBondContact O-CB 3.24Å; L1027-L1030 WeakPolarHBondContact O-CD1 3.23Å; L1027-L1030 VanDerWaalsContact O-CG 3.29Å; L1027-L1030 WeakPolarHBondContact O-CG 3.28Å; L1027-L1030 PolarHBondContact O-N 2.73Å; L1027-L1163 HydrophobicContact CD1-CD2 3.53Å; L1027-F1166 HydrophobicContact CB-CB 4.07Å; L1027-F1166 HydrophobicContact CB-CD1 4.3Å; L1027-F1166 HydrophobicContact CB-CD2 3.85Å; L1027-F1166 HydrophobicContact CB-CE2 4.47Å; L1027-F1166 HydrophobicContact CB-CG 3.76Å; L1027-F1166 HydrophobicContact CD1-CD1 3.77Å; L1027-F1166 HydrophobicContact CD1-CE1 4.18Å; L1027-F1166 HydrophobicContact CD1-CG 4.09Å; L1027-F1166 HydrophobicContact CD2-CE1 4.3Å; L1027-F1166 HydrophobicContact CD2-CE2 4.33Å; L1027-F1166 HydrophobicContact CD2-CZ 4.23Å; L1027-F1166 HydrophobicContact CG-CD1 4.43Å; L1027-F1166 HydrophobicContact CG-CG 4.38Å |
| 1028 | G | 91 | Very high | 89.5 | Confident | 32 Ų | 32 | 77.9 Ų | 77.9 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -68.8 | -10.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1026 | Y1026-G1028 PolarHBondContact O-N 2.86Š|
| 1029 | R | 91.9 | Very high | 89.4 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 37% | 0.366 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -97.3 | -7.1 | 177.7 | -58.6 | -164.5 | -172.2 | 159.3 | 6.5 | 114.1 | E840 Y1026 L1027 E1032 V1033 | E840-R1029 IonicContact OE1-CZ 3.25Å; E840-R1029 IonicContact OE1-NH2 3.6Å; E840-R1029 PolarHBondContact OE1-NH2 2.72Å; E840-R1029 IonicContact OE2-CZ 3.68Å; E840-R1029 IonicContact OE2-NH2 2.76Å; E840-R1029 PolarHBondContact OE2-NH2 3.04Å; Y1026-R1029 HydrophobicContact CD2-CB 4.26Å; Y1026-R1029 HydrophobicContact CE2-CB 4.14Å; Y1026-R1029 PolarHBondContact O-N 2.82Å; L1027-R1029 PolarHBondContact O-N 2.74Å; R1029-E1032 WeakPolarHBondContact CB-OE2 3.28Å; R1029-E1032 WeakPolarHBondContact CG-OE2 3.41Å; R1029-E1032 WeakPolarHBondContact O-CB 3.22Å; R1029-E1032 PolarHBondContact O-N 2.8Å; R1029-E1032 VanDerWaalsContact O-N 3.12Å; R1029-V1033 PolarHBondContact O-N 3.43Å |
| 1030 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -30.1 | 178.8 | -60.2 | 175.6 | 0 | 0 | 0 | 115.2 | L1007 Y1026 L1027 L1042 L1043 F1166 | L1007-L1030 HydrophobicContact CD1-CD2 3.61Å; L1007-L1030 HydrophobicContact CD2-CD1 3.65Å; L1007-L1030 HydrophobicContact CD2-CD2 3.73Å; L1007-L1030 HydrophobicContact CD2-CG 4.23Å; L1007-L1030 HydrophobicContact CG-CD2 4.35Å; Y1026-L1030 HydrophobicContact CD1-CD2 4.21Å; Y1026-L1030 HydrophobicContact CE1-CD2 3.78Å; L1027-L1030 HydrophobicContact CB-CD1 4.47Å; L1027-L1030 HydrophobicContact CD2-CD1 3.73Å; L1027-L1030 WeakPolarHBondContact O-CB 3.24Å; L1027-L1030 WeakPolarHBondContact O-CD1 3.23Å; L1027-L1030 VanDerWaalsContact O-CG 3.29Å; L1027-L1030 WeakPolarHBondContact O-CG 3.28Å; L1027-L1030 PolarHBondContact O-N 2.73Å; L1030-L1042 HydrophobicContact CD2-CD2 3.69Å; L1030-L1042 HydrophobicContact CD2-CG 3.98Å; L1030-L1042 PolarHBondContact O-N 3.01Å; L1030-L1043 HydrophobicContact CB-CB 3.92Å; L1030-L1043 PolarHBondContact O-N 2.86Å; L1030-F1166 HydrophobicContact CD1-CD2 4.19Å; L1030-F1166 HydrophobicContact CD1-CE2 3.56Å; L1030-F1166 HydrophobicContact CD1-CZ 4.23Å |
| 1031 | P | 91.5 | Very high | 89.8 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -29.7 | 171.1 | -11.8 | 26 | 0 | 0 | 0 | 113.2 | S1041 L1043 E1169 | P1031-S1041 WeakPolarHBondContact O-CB 3.31Å; P1031-L1043 HydrophobicContact CG-CD2 4.17Å; P1031-E1169 VanDerWaalsContact CG-OE1 3.26Å; P1031-E1169 WeakPolarHBondContact CG-OE1 3.34Å; P1031-E1169 WeakPolarHBondContact CG-OE2 3.47Å |
| 1032 | E | 90.6 | Very high | 90 | Very high | 133 Ų | 133 | 66.2 Ų | 66.2 | 62% | 0.621 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -47.4 | -173.3 | -52.8 | -176.7 | 133.4 | 0 | 0 | 111.8 | R1029 K1034 | R1029-E1032 WeakPolarHBondContact CB-OE2 3.28Å; R1029-E1032 WeakPolarHBondContact CG-OE2 3.41Å; R1029-E1032 WeakPolarHBondContact O-CB 3.22Å; R1029-E1032 PolarHBondContact O-N 2.8Å; R1029-E1032 VanDerWaalsContact O-N 3.12Å; E1032-K1034 PolarHBondContact O-N 2.95Å |
| 1033 | V | 90.5 | Very high | 90.3 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | trans | -65.4 | 120.8 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | R1029 S1041 L1042 | R1029-V1033 PolarHBondContact O-N 3.43Å; V1033-S1041 CarbonylContact O-C 3.57Å; V1033-S1041 VanDerWaalsContact O-CA 3.25Å; V1033-S1041 WeakPolarHBondContact O-CA 3.47Å; V1033-L1042 HydrophobicContact CB-CB 3.98Å; V1033-L1042 HydrophobicContact CB-CD2 4.34Å; V1033-L1042 HydrophobicContact CG1-CB 4.06Å; V1033-L1042 HydrophobicContact CG1-CD2 4.21Å; V1033-L1042 PolarHBondContact O-N 2.85Å | ||
| 1034 | K | 90.4 | Very high | 90.5 | Very high | 131 Ų | 131 | 64.4 Ų | 64.4 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -124.4 | 147.9 | -178.2 | -71.6 | 169.3 | -175.5 | 173.1 | 0 | 111.6 | E1032 K1039 N1040 | E1032-K1034 PolarHBondContact O-N 2.95Å; K1034-K1039 WeakPolarHBondContact CG-O 3.22Å; K1034-N1040 CarbonylContact C-O 3.43Å; K1034-N1040 VanDerWaalsContact CA-O 3.29Å; K1034-N1040 WeakPolarHBondContact CA-O 3.41Å |
| 1035 | D | 88.8 | Confident | 90.6 | Very high | 37 Ų | 37 | 67.2 Ų | 67.2 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | trans | -68 | 163.9 | 173.1 | 76.6 | 48 | 0 | 0 | 0 | 112.4 | K1037 Y1038 K1039 N1040 H1045 | D1035-K1037 PolarHBondContact OD1-N 2.85Å; D1035-Y1038 WeakPolarHBondContact OD1-CA 3.48Å; D1035-Y1038 PolarHBondContact OD1-N 3.03Å; D1035-K1039 WeakPolarHBondContact O-CD 3.33Å; D1035-K1039 PolarHBondContact OD1-N 2.82Å; D1035-N1040 PolarHBondContact N-O 2.83Å; D1035-N1040 WeakPolarHBondContact OD2-CB 3.48Å; D1035-N1040 PolarHBondContact OD2-N 3.39Å; D1035-H1045 IonicContact OD2-CD2 2.82Å; D1035-H1045 IonicContact OD2-CE1 3.49Å; D1035-H1045 PolarHBondContact OD2-CE1 3Å; D1035-H1045 IonicContact OD2-NE2 3.14Å; D1035-H1045 PolarHBondContact OD2-NE2 3.01Å | ||
| 1036 | T | 85.4 | Confident | 90.9 | Very high | 127 Ų | 127 | 65.6 Ų | 65.6 | 78% | 0.779 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -78.9 | -33.3 | -179.1 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | K1039 | T1036-K1039 PolarHBondContact O-NZ 2.78Š|
| 1037 | K | 80.9 | Confident | 91 | Very high | 155 Ų | 155 | 61.7 Ų | 61.7 | 67% | 0.674 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -88.2 | -43.7 | -165 | -168.7 | -177.3 | -179.3 | -164.8 | 0 | 114.3 | D1035 | D1035-K1037 PolarHBondContact OD1-N 2.85Š|
| 1038 | Y | 83.8 | Confident | 91 | Very high | 148 Ų | 148 | 62.6 Ų | 62.6 | 58% | 0.58 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -120.3 | -8.5 | -175 | -53.8 | -53.5 | 0 | 0 | 0 | 113.1 | D1035 N1040 | D1035-Y1038 WeakPolarHBondContact OD1-CA 3.48Å; D1035-Y1038 PolarHBondContact OD1-N 3.03Å; Y1038-N1040 PolarHBondContact O-N 2.66Å |
| 1039 | K | 85.9 | Confident | 91.1 | Very high | 134 Ų | 134 | 63.6 Ų | 63.6 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | trans | 63.1 | 18.9 | -175.3 | -47.8 | -50.2 | -173.1 | -161.5 | 0 | 114.4 | K1034 D1035 T1036 | K1034-K1039 WeakPolarHBondContact CG-O 3.22Å; D1035-K1039 WeakPolarHBondContact O-CD 3.33Å; D1035-K1039 PolarHBondContact OD1-N 2.82Å; T1036-K1039 PolarHBondContact O-NZ 2.78Å | ||
| 1040 | N | 89.5 | Confident | 91.3 | Very high | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | -66 | 143.9 | 170.6 | -68.2 | -37.3 | 0 | 0 | 0 | 109.7 | K1034 D1035 Y1038 H1044 | K1034-N1040 CarbonylContact C-O 3.43Å; K1034-N1040 VanDerWaalsContact CA-O 3.29Å; K1034-N1040 WeakPolarHBondContact CA-O 3.41Å; D1035-N1040 PolarHBondContact N-O 2.83Å; D1035-N1040 WeakPolarHBondContact OD2-CB 3.48Å; D1035-N1040 PolarHBondContact OD2-N 3.39Å; Y1038-N1040 PolarHBondContact O-N 2.66Å; N1040-H1044 HydrophobicContact CB-CB 4.15Å | ||
| 1041 | S | 94.7 | Very high | 91.2 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 157.8 | 178.3 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | P1031 V1033 L1043 H1044 H1045 | P1031-S1041 WeakPolarHBondContact O-CB 3.31Å; V1033-S1041 CarbonylContact O-C 3.57Å; V1033-S1041 VanDerWaalsContact O-CA 3.25Å; V1033-S1041 WeakPolarHBondContact O-CA 3.47Å; S1041-L1043 PolarHBondContact O-N 2.78Å; S1041-H1044 WeakPolarHBondContact O-CB 3.35Å; S1041-H1044 PolarHBondContact O-N 3.15Å; S1041-H1044 PolarHBondContact OG-N 2.93Å; S1041-H1044 VanDerWaalsContact OG-N 3.17Å; S1041-H1045 PolarHBondContact O-CD2 3.41Å; S1041-H1045 VanDerWaalsContact O-CD2 3.23Å; S1041-H1045 PolarHBondContact O-N 3.44Å |
| 1042 | L | 93.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.9 | -33.7 | 170.1 | 180 | 57.8 | 0 | 0 | 0 | 110.5 | L1007 I1010 L1030 V1033 H1044 H1045 V1046 | L1007-L1042 HydrophobicContact CD1-CD2 4.26Å; I1010-L1042 HydrophobicContact CG2-CD1 3.84Å; L1030-L1042 HydrophobicContact CD2-CD2 3.69Å; L1030-L1042 HydrophobicContact CD2-CG 3.98Å; L1030-L1042 PolarHBondContact O-N 3.01Å; V1033-L1042 HydrophobicContact CB-CB 3.98Å; V1033-L1042 HydrophobicContact CB-CD2 4.34Å; V1033-L1042 HydrophobicContact CG1-CB 4.06Å; V1033-L1042 HydrophobicContact CG1-CD2 4.21Å; V1033-L1042 PolarHBondContact O-N 2.85Å; L1042-H1044 PolarHBondContact O-N 3.34Å; L1042-H1045 PolarHBondContact O-N 2.88Å; L1042-V1046 HydrophobicContact CD1-CG2 4.38Å; L1042-V1046 HydrophobicContact CG-CG2 4.43Å; L1042-V1046 WeakPolarHBondContact O-CB 3.48Å; L1042-V1046 VanDerWaalsContact O-CG2 3.31Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.4Å; L1042-V1046 PolarHBondContact O-N 2.92Å |
| 1043 | L | 96.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 169.9 | -175.7 | 51.2 | 0 | 0 | 0 | 113.3 | L1030 P1031 S1041 H1045 C1047 F1166 E1169 Y1170 T1173 | L1030-L1043 HydrophobicContact CB-CB 3.92Å; L1030-L1043 PolarHBondContact O-N 2.86Å; P1031-L1043 HydrophobicContact CG-CD2 4.17Å; S1041-L1043 PolarHBondContact O-N 2.78Å; L1043-H1045 VanDerWaalsContact C-N 3.34Å; L1043-H1045 PolarHBondContact O-N 3.5Å; L1043-C1047 WeakPolarHBondContact O-CB 3.48Å; L1043-C1047 PolarHBondContact O-N 2.64Å; L1043-F1166 HydrophobicContact CD1-CE2 3.65Å; L1043-F1166 HydrophobicContact CD1-CZ 4.18Å; L1043-E1169 HydrophobicContact CD2-CB 3.76Å; L1043-Y1170 HydrophobicContact CD1-CD2 4Å; L1043-T1173 HydrophobicContact CG-CG2 4.17Å |
| 1044 | H | 94.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 175.5 | 175.6 | 100 | 0 | 0 | 0 | 112 | N1040 S1041 L1042 S1048 T1173 I1177 | N1040-H1044 HydrophobicContact CB-CB 4.15Å; S1041-H1044 WeakPolarHBondContact O-CB 3.35Å; S1041-H1044 PolarHBondContact O-N 3.15Å; S1041-H1044 PolarHBondContact OG-N 2.93Å; S1041-H1044 VanDerWaalsContact OG-N 3.17Å; L1042-H1044 PolarHBondContact O-N 3.34Å; H1044-S1048 VanDerWaalsContact O-CB 3.31Å; H1044-S1048 WeakPolarHBondContact O-CB 3.34Å; H1044-S1048 PolarHBondContact O-N 2.89Å; H1044-S1048 PolarHBondContact O-OG 3.31Å; H1044-T1173 HydrophobicContact CB-CG2 4.1Å; H1044-I1177 WeakPolarHBondContact ND1-CG1 3.32Å; H1044-I1177 WeakPolarHBondContact O-CD1 3.38Å |
| 1045 | H | 94.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 60 Ų | 60 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69 | -47.9 | 176.3 | -69.7 | -67.3 | 0 | 0 | 0 | 112.1 | D1035 S1041 L1042 L1043 C1047 S1048 I1049 | D1035-H1045 IonicContact OD2-CD2 2.82Å; D1035-H1045 IonicContact OD2-CE1 3.49Å; D1035-H1045 PolarHBondContact OD2-CE1 3Å; D1035-H1045 IonicContact OD2-NE2 3.14Å; D1035-H1045 PolarHBondContact OD2-NE2 3.01Å; S1041-H1045 PolarHBondContact O-CD2 3.41Å; S1041-H1045 VanDerWaalsContact O-CD2 3.23Å; S1041-H1045 PolarHBondContact O-N 3.44Å; L1042-H1045 PolarHBondContact O-N 2.88Å; L1043-H1045 VanDerWaalsContact C-N 3.34Å; L1043-H1045 PolarHBondContact O-N 3.5Å; H1045-C1047 PolarHBondContact O-N 3.36Å; H1045-S1048 PolarHBondContact O-N 3.35Å; H1045-I1049 WeakPolarHBondContact O-CB 3.31Å; H1045-I1049 WeakPolarHBondContact O-CD1 3.45Å; H1045-I1049 VanDerWaalsContact O-CG1 3.31Å; H1045-I1049 WeakPolarHBondContact O-CG1 3.42Å; H1045-I1049 PolarHBondContact O-N 2.87Å |
| 1046 | V | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 173.9 | 170 | 0 | 0 | 0 | 0 | 110.7 | I1003 V1006 L1007 I1010 L1042 I1049 V1050 | I1003-V1046 HydrophobicContact CG2-CG1 4.17Å; V1006-V1046 HydrophobicContact CG1-CB 4.42Å; V1006-V1046 HydrophobicContact CG1-CG1 4.13Å; V1006-V1046 HydrophobicContact CG1-CG2 4.44Å; L1007-V1046 HydrophobicContact CB-CG2 4.36Å; L1007-V1046 HydrophobicContact CD1-CG2 4.16Å; I1010-V1046 HydrophobicContact CD1-CG2 3.86Å; L1042-V1046 HydrophobicContact CD1-CG2 4.38Å; L1042-V1046 HydrophobicContact CG-CG2 4.43Å; L1042-V1046 WeakPolarHBondContact O-CB 3.48Å; L1042-V1046 VanDerWaalsContact O-CG2 3.31Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.4Å; L1042-V1046 PolarHBondContact O-N 2.92Å; V1046-I1049 PolarHBondContact O-N 3.14Å; V1046-V1050 HydrophobicContact CG1-CG2 4.39Å; V1046-V1050 WeakPolarHBondContact O-CB 3.46Å; V1046-V1050 VanDerWaalsContact O-CG2 3.29Å; V1046-V1050 WeakPolarHBondContact O-CG2 3.48Å; V1046-V1050 PolarHBondContact O-N 3.49Å |
| 1047 | C | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | -178.2 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | L1043 H1045 V1050 L1051 Y1170 T1173 R1174 I1177 | L1043-C1047 WeakPolarHBondContact O-CB 3.48Å; L1043-C1047 PolarHBondContact O-N 2.64Å; H1045-C1047 PolarHBondContact O-N 3.36Å; C1047-V1050 PolarHBondContact O-N 2.67Å; C1047-L1051 WeakPolarHBondContact O-CG 3.36Å; C1047-L1051 PolarHBondContact O-N 3.33Å; C1047-Y1170 HydrophobicContact CB-CD2 4.22Å; C1047-Y1170 HydrophobicContact CB-CE2 3.8Å; C1047-Y1170 VanDerWaalsContact SG-CE2 3.58Å; C1047-T1173 HydrophobicContact CB-CG2 4.2Å; C1047-R1174 WeakPolarHBondContact SG-CA 3.45Å; C1047-R1174 VanDerWaalsContact SG-CB 3.52Å; C1047-I1177 HydrophobicContact CB-CD1 3.68Å |
| 1048 | S | 93.4 | Very high | 91.2 | Very high | 18 Ų | 18 | 51 Ų | 51 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 173 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | H1044 H1045 V1050 L1051 D1052 | H1044-S1048 VanDerWaalsContact O-CB 3.31Å; H1044-S1048 WeakPolarHBondContact O-CB 3.34Å; H1044-S1048 PolarHBondContact O-N 2.89Å; H1044-S1048 PolarHBondContact O-OG 3.31Å; H1045-S1048 PolarHBondContact O-N 3.35Å; S1048-V1050 VanDerWaalsContact C-N 3.33Å; S1048-V1050 PolarHBondContact O-N 2.82Å; S1048-L1051 PolarHBondContact O-N 3.13Å; S1048-D1052 VanDerWaalsContact O-CG 3.26Å; S1048-D1052 PolarHBondContact O-N 2.92Å |
| 1049 | I | 93.8 | Very high | 91.4 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.9 | -36.1 | -179.9 | -67.6 | 162.6 | 0 | 0 | 0 | 111.6 | V1006 I1010 H1045 V1046 D1052 Q1053 | V1006-I1049 HydrophobicContact CB-CG2 4.46Å; V1006-I1049 HydrophobicContact CG1-CB 3.92Å; V1006-I1049 HydrophobicContact CG1-CG2 3.63Å; V1006-I1049 HydrophobicContact CG2-CG2 3.92Å; I1010-I1049 HydrophobicContact CD1-CD1 3.78Å; I1010-I1049 HydrophobicContact CG1-CD1 4.46Å; H1045-I1049 WeakPolarHBondContact O-CB 3.31Å; H1045-I1049 WeakPolarHBondContact O-CD1 3.45Å; H1045-I1049 VanDerWaalsContact O-CG1 3.31Å; H1045-I1049 WeakPolarHBondContact O-CG1 3.42Å; H1045-I1049 PolarHBondContact O-N 2.87Å; V1046-I1049 PolarHBondContact O-N 3.14Å; I1049-D1052 PolarHBondContact O-N 3.29Å; I1049-Q1053 HydrophobicContact CG2-CG 4.23Å; I1049-Q1053 WeakPolarHBondContact O-CB 3.45Å; I1049-Q1053 WeakPolarHBondContact O-CG 3.33Å; I1049-Q1053 PolarHBondContact O-N 3.02Å |
| 1050 | V | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | I1003 V1006 V1046 C1047 S1048 D1052 F1054 Y1170 | I1003-V1050 HydrophobicContact CG1-CG2 4.14Å; V1006-V1050 HydrophobicContact CB-CG2 4.05Å; V1006-V1050 HydrophobicContact CG1-CG2 4.38Å; V1006-V1050 HydrophobicContact CG2-CG2 3.76Å; V1046-V1050 HydrophobicContact CG1-CG2 4.39Å; V1046-V1050 WeakPolarHBondContact O-CB 3.46Å; V1046-V1050 VanDerWaalsContact O-CG2 3.29Å; V1046-V1050 WeakPolarHBondContact O-CG2 3.48Å; V1046-V1050 PolarHBondContact O-N 3.49Å; C1047-V1050 PolarHBondContact O-N 2.67Å; S1048-V1050 VanDerWaalsContact C-N 3.33Å; S1048-V1050 PolarHBondContact O-N 2.82Å; V1050-D1052 VanDerWaalsContact C-N 3.33Å; V1050-D1052 PolarHBondContact O-N 3.48Å; V1050-F1054 HydrophobicContact CG1-CD2 4.5Å; V1050-F1054 CarbonylContact O-C 3.5Å; V1050-F1054 WeakPolarHBondContact O-CA 2.98Å; V1050-F1054 WeakPolarHBondContact O-CB 3.25Å; V1050-F1054 PolarHBondContact O-N 2.99Å; V1050-Y1170 WeakPolarHBondContact CG1-OH 3.46Å |
| 1051 | L | 92.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 39 Ų | 39 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 174.4 | -73.5 | 169 | 0 | 0 | 0 | 112.7 | C1047 S1048 R1174 I1177 I1178 | C1047-L1051 WeakPolarHBondContact O-CG 3.36Å; C1047-L1051 PolarHBondContact O-N 3.33Å; S1048-L1051 PolarHBondContact O-N 3.13Å; L1051-R1174 HydrophobicContact CD1-CG 4.16Å; L1051-R1174 HydrophobicContact CD2-CG 4.05Å; L1051-R1174 HydrophobicContact CG-CG 4.39Å; L1051-I1177 HydrophobicContact CD1-CB 4.15Å; L1051-I1177 HydrophobicContact CD1-CG2 3.63Å; L1051-I1178 HydrophobicContact CD1-CG1 4.1Å; L1051-I1178 HydrophobicContact CD2-CD1 4.22Å; L1051-I1178 HydrophobicContact CD2-CG1 4.46Å |
| 1052 | D | 90.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -78 | -37.5 | -179.7 | -68.8 | -38.6 | 0 | 0 | 0 | 113.3 | S1048 I1049 V1050 R1181 | S1048-D1052 VanDerWaalsContact O-CG 3.26Å; S1048-D1052 PolarHBondContact O-N 2.92Å; I1049-D1052 PolarHBondContact O-N 3.29Å; V1050-D1052 VanDerWaalsContact C-N 3.33Å; V1050-D1052 PolarHBondContact O-N 3.48Å; D1052-R1181 IonicContact OD1-CZ 3.25Å; D1052-R1181 VanDerWaalsContact OD1-CZ 3.25Å; D1052-R1181 IonicContact OD1-NH1 3.02Å; D1052-R1181 PolarHBondContact OD1-NH1 2.97Å; D1052-R1181 IonicContact OD1-NH2 2.63Å; D1052-R1181 PolarHBondContact OD1-NH2 3.3Å; D1052-R1181 IonicContact OD2-CZ 3.53Å; D1052-R1181 IonicContact OD2-NH1 2.7Å; D1052-R1181 IonicContact OD2-NH2 2.65Å; D1052-R1181 PolarHBondContact OD2-NH2 3.29Å |
| 1053 | Q | 90.4 | Very high | 91.3 | Very high | 122 Ų | 122 | 43.7 Ų | 43.7 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -96.4 | -25.1 | -175.6 | -63.8 | -174.4 | 6.8 | 0 | 0 | 113.8 | I1049 | I1049-Q1053 HydrophobicContact CG2-CG 4.23Å; I1049-Q1053 WeakPolarHBondContact O-CB 3.45Å; I1049-Q1053 WeakPolarHBondContact O-CG 3.33Å; I1049-Q1053 PolarHBondContact O-N 3.02Å |
| 1054 | F | 91 | Very high | 91.2 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -132.6 | 76.9 | -177.9 | -48.4 | -70.9 | 0 | 0 | 0 | 110.3 | F813 Y1002 V1006 V1050 D1056 S1057 | F813-F1054 HydrophobicContact CE2-CE1 4.1Å; Y1002-F1054 HydrophobicContact CD1-CB 4.4Å; Y1002-F1054 AromaticContact CD1-CD1 3.75Å; Y1002-F1054 HydrophobicContact CD1-CD1 3.75Å; Y1002-F1054 HydrophobicContact CD1-CD2 4.16Å; Y1002-F1054 HydrophobicContact CD1-CE1 4.07Å; Y1002-F1054 HydrophobicContact CD1-CE2 4.45Å; Y1002-F1054 AromaticContact CD1-CG 3.81Å; Y1002-F1054 HydrophobicContact CD1-CG 3.81Å; Y1002-F1054 HydrophobicContact CD1-CZ 4.41Å; Y1002-F1054 HydrophobicContact CD2-CB 3.7Å; Y1002-F1054 AromaticContact CD2-CG 4Å; Y1002-F1054 HydrophobicContact CD2-CG 4Å; Y1002-F1054 AromaticContact CE1-CD1 3.85Å; Y1002-F1054 HydrophobicContact CE1-CD1 3.85Å; Y1002-F1054 HydrophobicContact CE1-CE1 4.3Å; Y1002-F1054 HydrophobicContact CE1-CG 4.24Å; Y1002-F1054 HydrophobicContact CE2-CB 4.01Å; Y1002-F1054 HydrophobicContact CE2-CG 4.42Å; Y1002-F1054 HydrophobicContact CG-CB 3.94Å; Y1002-F1054 HydrophobicContact CG-CD1 4.13Å; Y1002-F1054 AromaticContact CG-CD2 3.91Å; Y1002-F1054 HydrophobicContact CG-CD2 3.91Å; Y1002-F1054 AromaticContact CG-CG 3.69Å; Y1002-F1054 HydrophobicContact CG-CG 3.69Å; V1006-F1054 HydrophobicContact CG2-CE2 3.84Å; V1050-F1054 HydrophobicContact CG1-CD2 4.5Å; V1050-F1054 CarbonylContact O-C 3.5Å; V1050-F1054 WeakPolarHBondContact O-CA 2.98Å; V1050-F1054 WeakPolarHBondContact O-CB 3.25Å; V1050-F1054 PolarHBondContact O-N 2.99Å; F1054-D1056 PolarHBondContact O-N 3.32Å; F1054-D1056 VanDerWaalsContact O-N 3.12Å; F1054-S1057 WeakPolarHBondContact O-CB 3.28Å; F1054-S1057 PolarHBondContact O-N 3.3Å; F1054-S1057 PolarHBondContact O-OG 3.15Å | ||
| 1055 | P | 84.7 | Confident | 91.1 | Very high | 109 Ų | 109 | 42.2 Ų | 42.2 | 71% | 0.708 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.5 | 178.6 | -23.5 | 35.6 | 0 | 0 | 0 | 114.1 | S1057 | P1055-S1057 PolarHBondContact O-N 3.33Š|
| 1056 | D | 83.7 | Confident | 91.1 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 3.4 | 170.2 | 73.9 | -44.3 | 0 | 0 | 0 | 113.6 | K998 Y1002 F1054 | K998-D1056 IonicContact NZ-OD2 3.62Å; Y1002-D1056 PolarHBondContact OH-OD2 3.26Å; F1054-D1056 PolarHBondContact O-N 3.32Å; F1054-D1056 VanDerWaalsContact O-N 3.12Å |
| 1057 | S | 88.5 | Confident | 91.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -70.7 | 126.2 | 174.6 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | F1054 P1055 R1174 | F1054-S1057 WeakPolarHBondContact O-CB 3.28Å; F1054-S1057 PolarHBondContact O-N 3.3Å; F1054-S1057 PolarHBondContact O-OG 3.15Å; P1055-S1057 PolarHBondContact O-N 3.33Å; S1057-R1174 PolarHBondContact O-NH2 3.41Å | ||
| 1058 | T | 88.5 | Confident | 91.1 | Very high | 49 Ų | 49 | 40 Ų | 40 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | trans | -94.1 | -172.8 | -173 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | T999 E1063 R1174 | T999-T1058 PolarHBondContact OG1-N 2.82Å; T999-T1058 PolarHBondContact OG1-OG1 3.39Å; T1058-E1063 WeakPolarHBondContact CB-OE1 3.18Å; T1058-E1063 WeakPolarHBondContact CG2-OE1 3.25Å; T1058-E1063 PolarHBondContact OG1-OE1 3.18Å; T1058-R1174 PolarHBondContact O-NE 3.24Å | ||
| 1059 | D | 88.2 | Confident | 91.1 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | trans | -79 | 117.6 | 161.5 | 170.6 | 33.6 | 0 | 0 | 0 | 110.6 | H1061 S1062 E1063 R1171 | D1059-H1061 VanDerWaalsContact C-N 3.29Å; D1059-H1061 PolarHBondContact O-N 3.48Å; D1059-H1061 PolarHBondContact OD1-N 2.65Å; D1059-S1062 PolarHBondContact O-N 2.96Å; D1059-S1062 VanDerWaalsContact OD2-CB 3.27Å; D1059-S1062 WeakPolarHBondContact OD2-CB 3.25Å; D1059-S1062 PolarHBondContact OD2-N 3Å; D1059-S1062 PolarHBondContact OD2-OG 2.96Å; D1059-E1063 PolarHBondContact O-N 3.23Å; D1059-E1063 VanDerWaalsContact O-N 3.12Å; D1059-R1171 VanDerWaalsContact OD1-CB 3.24Å; D1059-R1171 WeakPolarHBondContact OD1-CB 3.24Å; D1059-R1171 VanDerWaalsContact OD1-CG 3.24Å; D1059-R1171 WeakPolarHBondContact OD1-CG 3.42Å | ||
| 1060 | L | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -32.8 | 178.7 | -173.7 | 62.6 | 0 | 0 | 0 | 112.7 | C997 T999 L1000 I1003 S1062 E1063 L1064 F1166 A1167 Y1170 | C997-L1060 WeakPolarHBondContact SG-CD1 3.32Å; T999-L1060 HydrophobicContact CG2-CB 4.29Å; L1000-L1060 HydrophobicContact CB-CD1 3.99Å; L1000-L1060 HydrophobicContact CD1-CD2 4.35Å; I1003-L1060 HydrophobicContact CD1-CD2 3.89Å; L1060-S1062 VanDerWaalsContact C-N 3.3Å; L1060-S1062 PolarHBondContact O-N 2.95Å; L1060-E1063 PolarHBondContact O-N 3.41Å; L1060-L1064 HydrophobicContact CD1-CD1 3.67Å; L1060-L1064 HydrophobicContact CD1-CG 3.95Å; L1060-L1064 HydrophobicContact CG-CD1 3.97Å; L1060-L1064 HydrophobicContact CG-CG 4.43Å; L1060-L1064 WeakPolarHBondContact O-CB 3.37Å; L1060-L1064 PolarHBondContact O-N 2.85Å; L1060-L1064 VanDerWaalsContact O-N 3.11Å; L1060-F1166 HydrophobicContact CD2-CD1 3.78Å; L1060-F1166 HydrophobicContact CD2-CE1 3.52Å; L1060-A1167 HydrophobicContact CB-CB 4.28Å; L1060-A1167 HydrophobicContact CD2-CB 4.08Å; L1060-A1167 HydrophobicContact CG-CB 3.88Å; L1060-Y1170 HydrophobicContact CB-CD1 3.81Å; L1060-Y1170 HydrophobicContact CB-CE1 4.33Å |
| 1061 | H | 91.7 | Very high | 91.1 | Very high | 57 Ų | 57 | 45 Ų | 45 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.8 | -29.3 | 178.8 | -175.2 | -72.4 | 0 | 0 | 0 | 111.8 | D1059 A1167 R1171 | D1059-H1061 VanDerWaalsContact C-N 3.29Å; D1059-H1061 PolarHBondContact O-N 3.48Å; D1059-H1061 PolarHBondContact OD1-N 2.65Å; H1061-A1167 HydrophobicContact CB-CB 4.14Å; H1061-R1171 HydrophobicContact CB-CB 4.28Å |
| 1062 | S | 90.6 | Very high | 91 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79.5 | -32.9 | 174.2 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | D1059 L1060 | D1059-S1062 PolarHBondContact O-N 2.96Å; D1059-S1062 VanDerWaalsContact OD2-CB 3.27Å; D1059-S1062 WeakPolarHBondContact OD2-CB 3.25Å; D1059-S1062 PolarHBondContact OD2-N 3Å; D1059-S1062 PolarHBondContact OD2-OG 2.96Å; L1060-S1062 VanDerWaalsContact C-N 3.3Å; L1060-S1062 PolarHBondContact O-N 2.95Å |
| 1063 | E | 89.6 | Confident | 91.2 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.4 | -34.3 | 174.7 | -78.2 | -166.1 | -176.2 | 0 | 0 | 113.4 | C997 T1058 D1059 L1060 G1065 | C997-E1063 PolarHBondContact SG-OE2 2.77Å; T1058-E1063 WeakPolarHBondContact CB-OE1 3.18Å; T1058-E1063 WeakPolarHBondContact CG2-OE1 3.25Å; T1058-E1063 PolarHBondContact OG1-OE1 3.18Å; D1059-E1063 PolarHBondContact O-N 3.23Å; D1059-E1063 VanDerWaalsContact O-N 3.12Å; L1060-E1063 PolarHBondContact O-N 3.41Å; E1063-G1065 VanDerWaalsContact C-N 3.34Å; E1063-G1065 PolarHBondContact O-N 3.49Å |
| 1064 | L | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 37.9 | -175.7 | -61.6 | -174.7 | 0 | 0 | 0 | 113.1 | E993 C997 L1060 A1066 L1067 C1068 | E993-L1064 HydrophobicContact CB-CD2 4.2Å; E993-L1064 VanDerWaalsContact OE2-C 3.22Å; C997-L1064 HydrophobicContact CB-CD2 4.15Å; L1060-L1064 HydrophobicContact CD1-CD1 3.67Å; L1060-L1064 HydrophobicContact CD1-CG 3.95Å; L1060-L1064 HydrophobicContact CG-CD1 3.97Å; L1060-L1064 HydrophobicContact CG-CG 4.43Å; L1060-L1064 WeakPolarHBondContact O-CB 3.37Å; L1060-L1064 PolarHBondContact O-N 2.85Å; L1060-L1064 VanDerWaalsContact O-N 3.11Å; L1064-A1066 PolarHBondContact O-N 3.16Å; L1064-L1067 HydrophobicContact CB-CB 4.15Å; L1064-L1067 WeakPolarHBondContact O-CB 3.44Å; L1064-L1067 PolarHBondContact O-N 3.35Å; L1064-C1068 PolarHBondContact O-N 2.65Å; L1064-C1068 PolarHBondContact O-SG 3.27Å; L1064-C1068 VanDerWaalsContact O-SG 3.36Å |
| 1065 | G | 92.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -36 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E993 E1063 R1069 | E993-G1065 PolarHBondContact OE2-N 3.31Å; E1063-G1065 VanDerWaalsContact C-N 3.34Å; E1063-G1065 PolarHBondContact O-N 3.49Å; G1065-R1069 VanDerWaalsContact C-NH1 3.29Å; G1065-R1069 PolarHBondContact O-N 3.48Å; G1065-R1069 PolarHBondContact O-NH1 3.06Å |
| 1066 | A | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.5 | -33.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q989 A990 E993 L1064 C1068 R1069 C1070 | Q989-A1066 HydrophobicContact CB-CB 3.61Å; A990-A1066 HydrophobicContact CB-CB 4.22Å; E993-A1066 VanDerWaalsContact OE1-CB 3.22Å; E993-A1066 WeakPolarHBondContact OE1-CB 3.47Å; E993-A1066 PolarHBondContact OE1-N 3.33Å; E993-A1066 VanDerWaalsContact OE1-N 3.14Å; E993-A1066 WeakPolarHBondContact OE2-CA 3.3Å; E993-A1066 VanDerWaalsContact OE2-CB 3.31Å; E993-A1066 WeakPolarHBondContact OE2-CB 3.27Å; E993-A1066 PolarHBondContact OE2-N 3.23Å; L1064-A1066 PolarHBondContact O-N 3.16Å; A1066-C1068 VanDerWaalsContact C-N 3.3Å; A1066-C1068 PolarHBondContact O-N 3.14Å; A1066-R1069 VanDerWaalsContact CB-NH2 3.33Å; A1066-R1069 WeakPolarHBondContact O-CB 3.43Å; A1066-R1069 PolarHBondContact O-N 3.32Å; A1066-R1069 VanDerWaalsContact O-N 3.07Å; A1066-C1070 PolarHBondContact O-N 3.13Å; A1066-C1070 PolarHBondContact O-SG 2.99Å |
| 1067 | L | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 172 | -177.4 | 146.5 | 0 | 0 | 0 | 111.3 | A990 E993 L1064 R1069 C1070 H1071 F1159 C1160 L1163 A1164 | A990-L1067 HydrophobicContact CB-CB 3.88Å; E993-L1067 PolarHBondContact OE2-N 3Å; L1064-L1067 HydrophobicContact CB-CB 4.15Å; L1064-L1067 WeakPolarHBondContact O-CB 3.44Å; L1064-L1067 PolarHBondContact O-N 3.35Å; L1067-R1069 PolarHBondContact O-N 3.48Å; L1067-C1070 WeakPolarHBondContact O-CB 3.38Å; L1067-C1070 PolarHBondContact O-N 2.95Å; L1067-H1071 PolarHBondContact O-N 3.47Å; L1067-F1159 HydrophobicContact CD1-CE1 4.39Å; L1067-C1160 HydrophobicContact CD2-CB 4.42Å; L1067-C1160 WeakPolarHBondContact CD2-O 3.42Å; L1067-C1160 HydrophobicContact CG-CB 4.19Å; L1067-L1163 HydrophobicContact CD1-CB 4.01Å; L1067-L1163 HydrophobicContact CD1-CD1 3.75Å; L1067-L1163 HydrophobicContact CD2-CB 3.69Å; L1067-A1164 HydrophobicContact CD2-CB 4.14Å |
| 1068 | C | 94 | Very high | 92.5 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.2 | -23.5 | 173.4 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | L1064 A1066 | L1064-C1068 PolarHBondContact O-N 2.65Å; L1064-C1068 PolarHBondContact O-SG 3.27Å; L1064-C1068 VanDerWaalsContact O-SG 3.36Å; A1066-C1068 VanDerWaalsContact C-N 3.3Å; A1066-C1068 PolarHBondContact O-N 3.14Å |
| 1069 | R | 94.7 | Very high | 92.7 | Very high | 110 Ų | 110 | 48.8 Ų | 48.8 | 42% | 0.415 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -80.3 | -43.1 | 169 | -65.3 | -170.7 | -58.2 | -80 | 4.5 | 111.6 | D986 G1065 A1066 L1067 H1071 R1072 | D986-R1069 IonicContact OD1-CZ 3.91Å; D986-R1069 VanDerWaalsContact OD1-CZ 3.31Å; D986-R1069 IonicContact OD1-NE 2.73Å; D986-R1069 PolarHBondContact OD1-NE 2.96Å; D986-R1069 VanDerWaalsContact OD1-NE 3.11Å; D986-R1069 IonicContact OD1-NH2 3.07Å; D986-R1069 PolarHBondContact OD1-NH2 3.32Å; D986-R1069 VanDerWaalsContact OD2-CB 3.26Å; D986-R1069 WeakPolarHBondContact OD2-CB 3.27Å; D986-R1069 WeakPolarHBondContact OD2-CD 3Å; D986-R1069 IonicContact OD2-CZ 2.82Å; D986-R1069 IonicContact OD2-NE 2.7Å; D986-R1069 PolarHBondContact OD2-NE 2.8Å; D986-R1069 IonicContact OD2-NH2 3.36Å; G1065-R1069 VanDerWaalsContact C-NH1 3.29Å; G1065-R1069 PolarHBondContact O-N 3.48Å; G1065-R1069 PolarHBondContact O-NH1 3.06Å; A1066-R1069 VanDerWaalsContact CB-NH2 3.33Å; A1066-R1069 WeakPolarHBondContact O-CB 3.43Å; A1066-R1069 PolarHBondContact O-N 3.32Å; A1066-R1069 VanDerWaalsContact O-N 3.07Å; L1067-R1069 PolarHBondContact O-N 3.48Å; R1069-H1071 PolarHBondContact O-N 2.74Å; R1069-R1072 WeakPolarHBondContact O-CB 2.93Å; R1069-R1072 PolarHBondContact O-N 2.85Å |
| 1070 | C | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -34.7 | 176 | -65.5 | 0 | 0 | 0 | 0 | 113.4 | D986 L987 A1066 L1067 R1072 V1073 W1075 C1160 | D986-C1070 PolarHBondContact O-SG 3.33Å; L987-C1070 WeakPolarHBondContact CA-SG 3.07Å; L987-C1070 PolarHBondContact N-SG 2.79Å; A1066-C1070 PolarHBondContact O-N 3.13Å; A1066-C1070 PolarHBondContact O-SG 2.99Å; L1067-C1070 WeakPolarHBondContact O-CB 3.38Å; L1067-C1070 PolarHBondContact O-N 2.95Å; C1070-R1072 PolarHBondContact O-N 2.79Å; C1070-V1073 PolarHBondContact O-N 2.88Å; C1070-W1075 HydrophobicContact CB-CZ2 4.25Å; C1070-W1075 PolarHBondContact O-NE1 3.49Å; C1070-C1160 HydrophobicContact CB-CB 4.11Å |
| 1071 | H | 92 | Very high | 93.2 | Very high | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.6 | 172.9 | 165.6 | 28.8 | 0 | 0 | 0 | 112.8 | L1067 R1069 V1073 C1160 A1164 | L1067-H1071 PolarHBondContact O-N 3.47Å; R1069-H1071 PolarHBondContact O-N 2.74Å; H1071-V1073 VanDerWaalsContact C-N 3.31Å; H1071-V1073 PolarHBondContact O-N 3.3Å; H1071-C1160 HydrophobicContact CB-CB 4.14Å; H1071-A1164 HydrophobicContact CB-CB 4.01Å |
| 1072 | R | 92.1 | Very high | 93.5 | Very high | 217 Ų | 217 | 54.9 Ų | 54.9 | 82% | 0.819 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -1.4 | -176.4 | -58.2 | -178.4 | -177.6 | -169.6 | -0.5 | 114.1 | R1069 C1070 | R1069-R1072 WeakPolarHBondContact O-CB 2.93Å; R1069-R1072 PolarHBondContact O-N 2.85Å; C1070-R1072 PolarHBondContact O-N 2.79Å |
| 1073 | V | 93.5 | Very high | 93.7 | Very high | 37 Ų | 37 | 57.5 Ų | 57.5 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -93.3 | 135.2 | -178.9 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | P983 C1070 H1071 W1075 | P983-V1073 HydrophobicContact CB-CG1 3.93Å; P983-V1073 HydrophobicContact CB-CG2 4.01Å; P983-V1073 HydrophobicContact CG-CG1 4.13Å; P983-V1073 HydrophobicContact CG-CG2 4.02Å; C1070-V1073 PolarHBondContact O-N 2.88Å; H1071-V1073 VanDerWaalsContact C-N 3.31Å; H1071-V1073 PolarHBondContact O-N 3.3Å; V1073-W1075 HydrophobicContact CB-CZ2 4.23Å; V1073-W1075 HydrophobicContact CG1-CD2 4.13Å; V1073-W1075 HydrophobicContact CG1-CG 4.33Å; V1073-W1075 HydrophobicContact CG1-CZ2 4.12Å; V1073-W1075 PolarHBondContact O-N 3.43Å |
| 1074 | D | 92.8 | Very high | 94 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | trans | -77.3 | 98 | 165.6 | -173.3 | -22 | 0 | 0 | 0 | 109.9 | D1076 E1077 L1078 | D1074-D1076 VanDerWaalsContact C-N 3.3Å; D1074-D1076 PolarHBondContact OD1-N 3.08Å; D1074-E1077 HydrophobicContact CB-CB 4.04Å; D1074-E1077 VanDerWaalsContact CG-CB 3.44Å; D1074-E1077 PolarHBondContact O-N 2.82Å; D1074-E1077 PolarHBondContact OD1-N 3.33Å; D1074-L1078 PolarHBondContact O-N 2.84Å; D1074-L1078 VanDerWaalsContact O-N 3.1Å | ||
| 1075 | W | 93.7 | Very high | 94 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.1 | 179.7 | -70 | 93 | 0 | 0 | 0 | 114 | P983 L984 L987 C1070 V1073 L1078 P1079 V1156 G1157 | P983-W1075 HydrophobicContact CB-CH2 4.08Å; P983-W1075 HydrophobicContact CB-CZ2 4.38Å; P983-W1075 WeakPolarHBondContact O-CH2 3.46Å; L984-W1075 HydrophobicContact CD2-CZ3 4.46Å; L987-W1075 HydrophobicContact CB-CH2 3.61Å; L987-W1075 HydrophobicContact CB-CZ2 4.09Å; L987-W1075 HydrophobicContact CB-CZ3 4.48Å; L987-W1075 HydrophobicContact CD2-CH2 3.61Å; L987-W1075 HydrophobicContact CD2-CZ2 4.34Å; L987-W1075 HydrophobicContact CD2-CZ3 3.68Å; L987-W1075 HydrophobicContact CG-CH2 4.16Å; C1070-W1075 HydrophobicContact CB-CZ2 4.25Å; C1070-W1075 PolarHBondContact O-NE1 3.49Å; V1073-W1075 HydrophobicContact CB-CZ2 4.23Å; V1073-W1075 HydrophobicContact CG1-CD2 4.13Å; V1073-W1075 HydrophobicContact CG1-CG 4.33Å; V1073-W1075 HydrophobicContact CG1-CZ2 4.12Å; V1073-W1075 PolarHBondContact O-N 3.43Å; W1075-L1078 HydrophobicContact CD2-CD2 4.48Å; W1075-L1078 HydrophobicContact CE3-CD2 3.5Å; W1075-L1078 VanDerWaalsContact CE3-CD2 3.5Å; W1075-L1078 HydrophobicContact CH2-CD2 4.11Å; W1075-L1078 HydrophobicContact CZ3-CD2 3.28Å; W1075-P1079 WeakPolarHBondContact O-CD 3.12Å; W1075-V1156 HydrophobicContact CB-CB 4.46Å; W1075-V1156 HydrophobicContact CD2-CB 3.62Å; W1075-V1156 HydrophobicContact CD2-CG1 3.79Å; W1075-V1156 HydrophobicContact CD2-CG2 4.21Å; W1075-V1156 VanDerWaalsContact CE2-CG1 3.45Å; W1075-V1156 HydrophobicContact CE3-CB 4.1Å; W1075-V1156 HydrophobicContact CE3-CG1 4.34Å; W1075-V1156 HydrophobicContact CE3-CG2 4.16Å; W1075-V1156 HydrophobicContact CG-CB 3.75Å; W1075-V1156 HydrophobicContact CG-CG1 4.23Å; W1075-V1156 HydrophobicContact CH2-CG1 4.39Å; W1075-V1156 HydrophobicContact CZ2-CG1 3.81Å; W1075-G1157 VanDerWaalsContact CD1-N 3.27Å |
| 1076 | D | 91.7 | Very high | 94.2 | Very high | 110 Ų | 110 | 61.6 Ų | 61.6 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -23.2 | 175.8 | -64.6 | -30.5 | 0 | 0 | 0 | 110.7 | D1074 K1080 | D1074-D1076 VanDerWaalsContact C-N 3.3Å; D1074-D1076 PolarHBondContact OD1-N 3.08Å; D1076-K1080 WeakPolarHBondContact O-CE 3.35Å; D1076-K1080 PolarHBondContact O-NZ 3.09Å |
| 1077 | E | 92.8 | Very high | 94.2 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -32.1 | 172.6 | -171.5 | 56.6 | -155.9 | 0 | 0 | 113.8 | D1074 K1080 R1081 | D1074-E1077 HydrophobicContact CB-CB 4.04Å; D1074-E1077 VanDerWaalsContact CG-CB 3.44Å; D1074-E1077 PolarHBondContact O-N 2.82Å; D1074-E1077 PolarHBondContact OD1-N 3.33Å; E1077-K1080 WeakPolarHBondContact O-CB 3.37Å; E1077-K1080 PolarHBondContact O-N 3.3Å; E1077-K1080 WeakPolarHBondContact OE2-CD 3.41Å; E1077-K1080 IonicContact OE2-NZ 3.7Å; E1077-K1080 PolarHBondContact OE2-NZ 2.8Å; E1077-R1081 HydrophobicContact CG-CG 4.25Å; E1077-R1081 PolarHBondContact O-N 3.22Å |
| 1078 | L | 93.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -47.8 | -49.3 | 176.3 | -168.9 | 74 | 0 | 0 | 0 | 114.7 | I980 P983 L984 D1074 W1075 K1080 R1081 L1082 Y1130 | I980-L1078 HydrophobicContact CB-CD1 4.29Å; I980-L1078 HydrophobicContact CG1-CD1 4.38Å; I980-L1078 HydrophobicContact CG2-CD1 4.07Å; P983-L1078 HydrophobicContact CB-CD1 4.21Å; P983-L1078 HydrophobicContact CB-CD2 4.41Å; P983-L1078 HydrophobicContact CG-CD1 4.24Å; L984-L1078 HydrophobicContact CD2-CD2 4.38Å; L984-L1078 HydrophobicContact CG-CD2 4.47Å; D1074-L1078 PolarHBondContact O-N 2.84Å; D1074-L1078 VanDerWaalsContact O-N 3.1Å; W1075-L1078 HydrophobicContact CD2-CD2 4.48Å; W1075-L1078 HydrophobicContact CE3-CD2 3.5Å; W1075-L1078 VanDerWaalsContact CE3-CD2 3.5Å; W1075-L1078 HydrophobicContact CH2-CD2 4.11Å; W1075-L1078 HydrophobicContact CZ3-CD2 3.28Å; L1078-K1080 VanDerWaalsContact C-N 3.35Å; L1078-K1080 PolarHBondContact O-N 3.45Å; L1078-R1081 PolarHBondContact O-N 2.97Å; L1078-L1082 PolarHBondContact O-N 3.29Å; L1078-Y1130 HydrophobicContact CD2-CD2 4.36Å; L1078-Y1130 HydrophobicContact CD2-CE2 4.28Å |
| 1079 | P | 94.5 | Very high | 94.2 | Very high | 42 Ų | 42 | 65.7 Ų | 65.7 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -33.9 | 176.6 | 24.9 | -33.9 | 0 | 0 | 0 | 113 | W1075 L1082 E1083 Y1130 | W1075-P1079 WeakPolarHBondContact O-CD 3.12Å; P1079-L1082 PolarHBondContact O-N 3.32Å; P1079-E1083 PolarHBondContact O-N 3.22Å; P1079-Y1130 HydrophobicContact CB-CE2 4.29Å |
| 1080 | K | 95.3 | Very high | 94.2 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 178 | -46.9 | -165.2 | -153.2 | 77.9 | 0 | 111.1 | D1076 E1077 L1078 L1082 E1083 K1084 | D1076-K1080 WeakPolarHBondContact O-CE 3.35Å; D1076-K1080 PolarHBondContact O-NZ 3.09Å; E1077-K1080 WeakPolarHBondContact O-CB 3.37Å; E1077-K1080 PolarHBondContact O-N 3.3Å; E1077-K1080 WeakPolarHBondContact OE2-CD 3.41Å; E1077-K1080 IonicContact OE2-NZ 3.7Å; E1077-K1080 PolarHBondContact OE2-NZ 2.8Å; L1078-K1080 VanDerWaalsContact C-N 3.35Å; L1078-K1080 PolarHBondContact O-N 3.45Å; K1080-L1082 VanDerWaalsContact C-N 3.3Å; K1080-L1082 PolarHBondContact O-N 2.89Å; K1080-E1083 PolarHBondContact O-N 2.79Å; K1080-K1084 VanDerWaalsContact O-CB 3.25Å; K1080-K1084 WeakPolarHBondContact O-CB 3.43Å; K1080-K1084 PolarHBondContact O-N 3.48Å |
| 1081 | R | 94.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 172.1 | -65.5 | -173.2 | -166.4 | -167.1 | 10.5 | 111.6 | E979 I980 E1077 L1078 L1085 | E979-R1081 IonicContact OE2-CZ 3.64Å; E979-R1081 IonicContact OE2-NH1 3.97Å; E979-R1081 PolarHBondContact OE2-NH1 2.78Å; I980-R1081 HydrophobicContact CD1-CB 4.11Å; I980-R1081 HydrophobicContact CG1-CB 4.13Å; E1077-R1081 HydrophobicContact CG-CG 4.25Å; E1077-R1081 PolarHBondContact O-N 3.22Å; L1078-R1081 PolarHBondContact O-N 2.97Å; R1081-L1085 VanDerWaalsContact O-CB 3.26Å; R1081-L1085 WeakPolarHBondContact O-CB 3.41Å; R1081-L1085 PolarHBondContact O-N 2.9Å |
| 1082 | L | 96.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 179 | -176.3 | 54.8 | 0 | 0 | 0 | 113.3 | I980 L1078 P1079 K1080 L1085 E1086 V1123 L1126 Q1127 Y1130 | I980-L1082 HydrophobicContact CD1-CB 4.12Å; I980-L1082 HydrophobicContact CD1-CD1 4.26Å; I980-L1082 HydrophobicContact CG2-CB 4.45Å; I980-L1082 HydrophobicContact CG2-CD1 4.47Å; L1078-L1082 PolarHBondContact O-N 3.29Å; P1079-L1082 PolarHBondContact O-N 3.32Å; K1080-L1082 VanDerWaalsContact C-N 3.3Å; K1080-L1082 PolarHBondContact O-N 2.89Å; L1082-L1085 PolarHBondContact O-N 3.49Å; L1082-E1086 PolarHBondContact O-N 3.23Å; L1082-V1123 HydrophobicContact CD1-CG1 4.3Å; L1082-L1126 HydrophobicContact CD1-CB 3.76Å; L1082-L1126 HydrophobicContact CD1-CD1 4.45Å; L1082-Q1127 HydrophobicContact CD1-CG 4.04Å; L1082-Q1127 HydrophobicContact CD2-CG 4.1Å; L1082-Q1127 HydrophobicContact CG-CG 4.03Å; L1082-Y1130 HydrophobicContact CD2-CD2 4.31Å; L1082-Y1130 HydrophobicContact CD2-CG 3.91Å |
| 1083 | E | 95.6 | Very high | 94.2 | Very high | 131 Ų | 131 | 53.8 Ų | 53.8 | 61% | 0.612 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 172.3 | -178.2 | 176.4 | -163.9 | 0 | 0 | 111.5 | P1079 K1080 L1085 E1086 T1087 | P1079-E1083 PolarHBondContact O-N 3.22Å; K1080-E1083 PolarHBondContact O-N 2.79Å; E1083-L1085 VanDerWaalsContact C-N 3.33Å; E1083-L1085 PolarHBondContact O-N 3.24Å; E1083-E1086 PolarHBondContact O-N 3.36Å; E1083-T1087 WeakPolarHBondContact O-CB 3.41Å; E1083-T1087 PolarHBondContact O-N 3.47Å; E1083-T1087 PolarHBondContact O-OG1 3.26Å |
| 1084 | K | 95.1 | Very high | 94.1 | Very high | 124 Ų | 124 | 56.7 Ų | 56.7 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 170.7 | -177.7 | -174.5 | 172.7 | -166.6 | 0 | 111 | K1080 E1086 T1087 D1088 | K1080-K1084 VanDerWaalsContact O-CB 3.25Å; K1080-K1084 WeakPolarHBondContact O-CB 3.43Å; K1080-K1084 PolarHBondContact O-N 3.48Å; K1084-E1086 PolarHBondContact O-N 3.25Å; K1084-T1087 PolarHBondContact O-N 2.98Å; K1084-T1087 VanDerWaalsContact O-N 3.16Å; K1084-D1088 WeakPolarHBondContact CE-OD2 3.32Å; K1084-D1088 WeakPolarHBondContact CG-OD2 3.31Å; K1084-D1088 WeakPolarHBondContact O-CB 3.26Å; K1084-D1088 PolarHBondContact O-N 3.2Å |
| 1085 | L | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -34 | -179.1 | -166.6 | 63.9 | 0 | 0 | 0 | 112.4 | F969 Y973 N976 I980 R1081 L1082 E1083 S1089 V1123 L1126 | F969-L1085 HydrophobicContact CE2-CD1 4.16Å; Y973-L1085 HydrophobicContact CD2-CD1 3.97Å; Y973-L1085 HydrophobicContact CE2-CD1 4.16Å; Y973-L1085 HydrophobicContact CE2-CD2 4.38Å; Y973-L1085 HydrophobicContact CE2-CG 4.41Å; N976-L1085 HydrophobicContact CB-CD1 3.95Å; N976-L1085 HydrophobicContact CB-CD2 4.47Å; I980-L1085 HydrophobicContact CD1-CB 4.41Å; I980-L1085 HydrophobicContact CD1-CD2 3.82Å; R1081-L1085 VanDerWaalsContact O-CB 3.26Å; R1081-L1085 WeakPolarHBondContact O-CB 3.41Å; R1081-L1085 PolarHBondContact O-N 2.9Å; L1082-L1085 PolarHBondContact O-N 3.49Å; E1083-L1085 VanDerWaalsContact C-N 3.33Å; E1083-L1085 PolarHBondContact O-N 3.24Å; L1085-S1089 VanDerWaalsContact O-CB 3.22Å; L1085-S1089 WeakPolarHBondContact O-CB 3.3Å; L1085-S1089 PolarHBondContact O-N 3.09Å; L1085-S1089 PolarHBondContact O-OG 2.99Å; L1085-V1123 HydrophobicContact CD2-CG2 3.83Å; L1085-V1123 HydrophobicContact CG-CG2 3.71Å; L1085-L1126 HydrophobicContact CD2-CD1 4.39Å |
| 1086 | E | 95.4 | Very high | 93.9 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.3 | -53.3 | 165.2 | 167.2 | 171.7 | -170 | 0 | 0 | 110.9 | W659 L1082 E1083 K1084 D1088 S1089 K1090 V1123 Q1127 | W659-E1086 HydrophobicContact CH2-CB 4.02Å; W659-E1086 HydrophobicContact CH2-CG 3.61Å; W659-E1086 HydrophobicContact CZ2-CB 4.39Å; W659-E1086 VanDerWaalsContact CZ2-CD 3.46Å; W659-E1086 HydrophobicContact CZ2-CG 3.69Å; W659-E1086 WeakPolarHBondContact CZ2-OE1 3.34Å; W659-E1086 HydrophobicContact CZ3-CG 4.35Å; L1082-E1086 PolarHBondContact O-N 3.23Å; E1083-E1086 PolarHBondContact O-N 3.36Å; K1084-E1086 PolarHBondContact O-N 3.25Å; E1086-D1088 PolarHBondContact O-N 2.91Å; E1086-S1089 WeakPolarHBondContact O-CB 3.3Å; E1086-S1089 PolarHBondContact O-N 3.1Å; E1086-S1089 VanDerWaalsContact O-N 3.14Å; E1086-K1090 HydrophobicContact CG-CD 4.1Å; E1086-K1090 HydrophobicContact CG-CG 4.45Å; E1086-K1090 PolarHBondContact O-N 3.32Å; E1086-K1090 WeakPolarHBondContact OE1-CE 3.22Å; E1086-K1090 IonicContact OE1-NZ 2.69Å; E1086-K1090 PolarHBondContact OE1-NZ 2.83Å; E1086-V1123 HydrophobicContact CB-CG1 4.15Å; E1086-Q1127 PolarHBondContact OE2-NE2 3.09Å |
| 1087 | T | 95.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -46.3 | -174.6 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | E1083 K1084 K1090 R1091 | E1083-T1087 WeakPolarHBondContact O-CB 3.41Å; E1083-T1087 PolarHBondContact O-N 3.47Å; E1083-T1087 PolarHBondContact O-OG1 3.26Å; K1084-T1087 PolarHBondContact O-N 2.98Å; K1084-T1087 VanDerWaalsContact O-N 3.16Å; T1087-K1090 PolarHBondContact O-N 3.41Å; T1087-R1091 WeakPolarHBondContact O-CB 3.33Å; T1087-R1091 PolarHBondContact O-N 2.89Å |
| 1088 | D | 94.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 52.6 Ų | 52.6 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.9 | -30.5 | 179.1 | -66.5 | -14.6 | 0 | 0 | 0 | 111.4 | F969 K1084 E1086 R1091 A1092 | F969-D1088 HydrophobicContact CD2-CB 3.87Å; F969-D1088 HydrophobicContact CE2-CB 4.19Å; K1084-D1088 WeakPolarHBondContact CE-OD2 3.32Å; K1084-D1088 WeakPolarHBondContact CG-OD2 3.31Å; K1084-D1088 WeakPolarHBondContact O-CB 3.26Å; K1084-D1088 PolarHBondContact O-N 3.2Å; E1086-D1088 PolarHBondContact O-N 2.91Å; D1088-R1091 IonicContact OD1-CZ 3.18Å; D1088-R1091 IonicContact OD1-NH1 1.77Å; D1088-R1091 PolarHBondContact OD1-NH1 3.42Å; D1088-R1091 IonicContact OD1-NH2 3.93Å; D1088-A1092 WeakPolarHBondContact O-CB 3.34Å; D1088-A1092 PolarHBondContact O-N 3.33Å |
| 1089 | S | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.2 | -44.2 | 171.3 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | F969 L1085 E1086 A1092 W1093 | F969-S1089 WeakPolarHBondContact CE2-OG 3.46Å; F969-S1089 VanDerWaalsContact CZ-OG 3.28Å; F969-S1089 WeakPolarHBondContact CZ-OG 3.14Å; L1085-S1089 VanDerWaalsContact O-CB 3.22Å; L1085-S1089 WeakPolarHBondContact O-CB 3.3Å; L1085-S1089 PolarHBondContact O-N 3.09Å; L1085-S1089 PolarHBondContact O-OG 2.99Å; E1086-S1089 WeakPolarHBondContact O-CB 3.3Å; E1086-S1089 PolarHBondContact O-N 3.1Å; E1086-S1089 VanDerWaalsContact O-N 3.14Å; S1089-A1092 PolarHBondContact O-N 3.3Å; S1089-W1093 PolarHBondContact O-N 2.73Å |
| 1090 | K | 94.2 | Very high | 92.6 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.2 | -73.6 | -176.1 | 174.2 | -177.1 | 0 | 110.6 | V655 E656 W659 E1086 T1087 A1092 W1093 E1094 | V655-K1090 HydrophobicContact CG1-CB 4.11Å; V655-K1090 HydrophobicContact CG1-CG 4.2Å; E656-K1090 IonicContact OE1-NZ 3.74Å; E656-K1090 PolarHBondContact OE1-NZ 3.07Å; E656-K1090 IonicContact OE2-NZ 3.22Å; E656-K1090 PolarHBondContact OE2-NZ 2.75Å; W659-K1090 VanDerWaalsContact CE2-CE 3.45Å; W659-K1090 HydrophobicContact CE3-CG 4.1Å; W659-K1090 VanDerWaalsContact CG-CE 3.41Å; W659-K1090 HydrophobicContact CZ3-CG 4.35Å; E1086-K1090 HydrophobicContact CG-CD 4.1Å; E1086-K1090 HydrophobicContact CG-CG 4.45Å; E1086-K1090 PolarHBondContact O-N 3.32Å; E1086-K1090 WeakPolarHBondContact OE1-CE 3.22Å; E1086-K1090 IonicContact OE1-NZ 2.69Å; E1086-K1090 PolarHBondContact OE1-NZ 2.83Å; T1087-K1090 PolarHBondContact O-N 3.41Å; K1090-A1092 PolarHBondContact O-N 3.18Å; K1090-W1093 WeakPolarHBondContact O-CB 3.46Å; K1090-W1093 PolarHBondContact O-N 3.01Å; K1090-E1094 WeakPolarHBondContact O-CG 3.44Å; K1090-E1094 PolarHBondContact O-N 3.32Å |
| 1091 | R | 93.9 | Very high | 91.6 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -37 | 175.7 | -161.4 | -171.1 | -60.4 | 113 | 8.2 | 112.6 | T1087 D1088 W1093 E1094 H1095 | T1087-R1091 WeakPolarHBondContact O-CB 3.33Å; T1087-R1091 PolarHBondContact O-N 2.89Å; D1088-R1091 IonicContact OD1-CZ 3.18Å; D1088-R1091 IonicContact OD1-NH1 1.77Å; D1088-R1091 PolarHBondContact OD1-NH1 3.42Å; D1088-R1091 IonicContact OD1-NH2 3.93Å; R1091-W1093 VanDerWaalsContact C-N 3.34Å; R1091-W1093 PolarHBondContact O-N 3Å; R1091-E1094 WeakPolarHBondContact O-CB 3.37Å; R1091-E1094 PolarHBondContact O-N 2.82Å; R1091-H1095 WeakPolarHBondContact CD-NE2 3.46Å; R1091-H1095 WeakPolarHBondContact CG-NE2 3.38Å; R1091-H1095 WeakPolarHBondContact O-CB 3.15Å; R1091-H1095 PolarHBondContact O-N 2.89Å |
| 1092 | A | 94.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L966 F969 D1088 S1089 K1090 Y1096 L1116 | L966-A1092 HydrophobicContact CD1-CB 3.83Å; F969-A1092 HydrophobicContact CB-CB 4.3Å; F969-A1092 HydrophobicContact CD1-CB 3.48Å; F969-A1092 VanDerWaalsContact CD1-CB 3.48Å; F969-A1092 HydrophobicContact CD2-CB 4.38Å; F969-A1092 HydrophobicContact CE1-CB 3.87Å; F969-A1092 HydrophobicContact CG-CB 3.78Å; F969-A1092 HydrophobicContact CZ-CB 4.45Å; D1088-A1092 WeakPolarHBondContact O-CB 3.34Å; D1088-A1092 PolarHBondContact O-N 3.33Å; S1089-A1092 PolarHBondContact O-N 3.3Å; K1090-A1092 PolarHBondContact O-N 3.18Å; A1092-Y1096 VanDerWaalsContact O-CB 3.31Å; A1092-Y1096 WeakPolarHBondContact O-CB 3.33Å; A1092-Y1096 PolarHBondContact O-N 3.13Å; A1092-L1116 HydrophobicContact CB-CD2 3.74Å |
| 1093 | W | 91.7 | Very high | 88.6 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 9% | 0.087 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 172.3 | -168.2 | -108.2 | 0 | 0 | 0 | 112.5 | F658 S1089 K1090 R1091 Y1096 R1097 L1116 M1120 | F658-W1093 AromaticContact CD1-CD2 3.98Å; F658-W1093 HydrophobicContact CD1-CD2 3.98Å; F658-W1093 AromaticContact CD1-CE2 3.5Å; F658-W1093 HydrophobicContact CD1-CG 4.44Å; F658-W1093 HydrophobicContact CD1-CH2 4.25Å; F658-W1093 AromaticContact CD1-CZ2 3.67Å; F658-W1093 HydrophobicContact CD1-CZ2 3.67Å; F658-W1093 AromaticContact CD1-NE1 3.66Å; F658-W1093 HydrophobicContact CD2-CH2 4.46Å; F658-W1093 AromaticContact CD2-CZ2 3.78Å; F658-W1093 HydrophobicContact CD2-CZ2 3.78Å; F658-W1093 AromaticContact CE1-CD2 3.96Å; F658-W1093 HydrophobicContact CE1-CD2 3.96Å; F658-W1093 AromaticContact CE1-CE2 3.66Å; F658-W1093 HydrophobicContact CE1-CE3 4.03Å; F658-W1093 AromaticContact CE1-CH2 3.59Å; F658-W1093 HydrophobicContact CE1-CH2 3.59Å; F658-W1093 AromaticContact CE1-CZ2 3.49Å; F658-W1093 HydrophobicContact CE1-CZ2 3.49Å; F658-W1093 VanDerWaalsContact CE1-CZ2 3.49Å; F658-W1093 AromaticContact CE1-CZ3 3.86Å; F658-W1093 HydrophobicContact CE1-CZ3 3.86Å; F658-W1093 AromaticContact CE2-CH2 3.84Å; F658-W1093 HydrophobicContact CE2-CH2 3.84Å; F658-W1093 AromaticContact CE2-CZ2 3.61Å; F658-W1093 HydrophobicContact CE2-CZ2 3.61Å; F658-W1093 AromaticContact CG-CE2 3.84Å; F658-W1093 AromaticContact CG-CZ2 3.81Å; F658-W1093 HydrophobicContact CG-CZ2 3.81Å; F658-W1093 AromaticContact CG-NE1 3.78Å; F658-W1093 AromaticContact CZ-CH2 3.36Å; F658-W1093 HydrophobicContact CZ-CH2 3.36Å; F658-W1093 AromaticContact CZ-CZ2 3.46Å; F658-W1093 HydrophobicContact CZ-CZ2 3.46Å; F658-W1093 VanDerWaalsContact CZ-CZ2 3.46Å; F658-W1093 AromaticContact CZ-CZ3 3.96Å; F658-W1093 HydrophobicContact CZ-CZ3 3.96Å; S1089-W1093 PolarHBondContact O-N 2.73Å; K1090-W1093 WeakPolarHBondContact O-CB 3.46Å; K1090-W1093 PolarHBondContact O-N 3.01Å; R1091-W1093 VanDerWaalsContact C-N 3.34Å; R1091-W1093 PolarHBondContact O-N 3Å; W1093-Y1096 PolarHBondContact O-N 3.44Å; W1093-R1097 WeakPolarHBondContact O-CG 3.44Å; W1093-R1097 PolarHBondContact O-N 3.24Å; W1093-L1116 HydrophobicContact CE3-CB 3.72Å; W1093-L1116 HydrophobicContact CE3-CD1 4.09Å; W1093-L1116 HydrophobicContact CZ3-CB 3.93Å; W1093-M1120 HydrophobicContact CB-CE 4.15Å; W1093-M1120 HydrophobicContact CB-SD 3.92Å; W1093-M1120 HydrophobicContact CD2-SD 4.06Å; W1093-M1120 HydrophobicContact CE3-SD 4.05Å; W1093-M1120 HydrophobicContact CG-CE 4.21Å; W1093-M1120 HydrophobicContact CG-SD 4.03Å |
| 1094 | E | 91.3 | Very high | 86.8 | Confident | 98 Ų | 98 | 58.2 Ų | 58.2 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 172.4 | -70.7 | 170.9 | 175.2 | 0 | 0 | 112 | V655 K1090 R1091 R1097 L1098 | V655-E1094 HydrophobicContact CG2-CG 3.44Å; V655-E1094 VanDerWaalsContact CG2-CG 3.44Å; K1090-E1094 WeakPolarHBondContact O-CG 3.44Å; K1090-E1094 PolarHBondContact O-N 3.32Å; R1091-E1094 WeakPolarHBondContact O-CB 3.37Å; R1091-E1094 PolarHBondContact O-N 2.82Å; E1094-R1097 PolarHBondContact O-N 3.14Å; E1094-L1098 WeakPolarHBondContact O-CB 3.11Å; E1094-L1098 PolarHBondContact O-N 3.08Å |
| 1095 | H | 91.7 | Very high | 85.2 | Confident | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.9 | -67.7 | -14.8 | 0 | 0 | 0 | 111.5 | P962 E965 L966 R1091 R1097 L1098 I1099 | P962-H1095 HydrophobicContact CB-CB 4.02Å; E965-H1095 IonicContact OE2-CE1 3.69Å; E965-H1095 IonicContact OE2-NE2 3.81Å; E965-H1095 PolarHBondContact OE2-NE2 3.24Å; L966-H1095 HydrophobicContact CB-CB 4.04Å; L966-H1095 HydrophobicContact CD2-CB 4.4Å; R1091-H1095 WeakPolarHBondContact CD-NE2 3.46Å; R1091-H1095 WeakPolarHBondContact CG-NE2 3.38Å; R1091-H1095 WeakPolarHBondContact O-CB 3.15Å; R1091-H1095 PolarHBondContact O-N 2.89Å; H1095-R1097 VanDerWaalsContact C-N 3.31Å; H1095-R1097 PolarHBondContact O-N 2.99Å; H1095-L1098 PolarHBondContact O-N 3.03Å; H1095-I1099 HydrophobicContact CB-CD1 4.2Å; H1095-I1099 WeakPolarHBondContact O-CB 3.28Å; H1095-I1099 WeakPolarHBondContact O-CD1 3.15Å; H1095-I1099 WeakPolarHBondContact O-CG1 3.3Å; H1095-I1099 PolarHBondContact O-N 2.73Å |
| 1096 | Y | 90.7 | Very high | 83.5 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 8% | 0.078 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 176.2 | 174 | -97.1 | 0 | 0 | 0 | 111.3 | A1092 W1093 I1099 F1100 N1109 L1112 S1113 L1116 | A1092-Y1096 VanDerWaalsContact O-CB 3.31Å; A1092-Y1096 WeakPolarHBondContact O-CB 3.33Å; A1092-Y1096 PolarHBondContact O-N 3.13Å; W1093-Y1096 PolarHBondContact O-N 3.44Å; Y1096-I1099 PolarHBondContact O-N 3.21Å; Y1096-F1100 AromaticContact CD2-CD2 3.44Å; Y1096-F1100 HydrophobicContact CD2-CD2 3.44Å; Y1096-F1100 VanDerWaalsContact CD2-CD2 3.44Å; Y1096-F1100 AromaticContact CD2-CE2 3.9Å; Y1096-F1100 HydrophobicContact CD2-CE2 3.9Å; Y1096-F1100 HydrophobicContact CD2-CG 4.5Å; Y1096-F1100 HydrophobicContact CE2-CB 4.46Å; Y1096-F1100 AromaticContact CE2-CD2 3.52Å; Y1096-F1100 HydrophobicContact CE2-CD2 3.52Å; Y1096-F1100 HydrophobicContact CE2-CE2 4.11Å; Y1096-F1100 HydrophobicContact CE2-CG 4.26Å; Y1096-F1100 HydrophobicContact CG-CD2 4.2Å; Y1096-F1100 WeakPolarHBondContact O-CB 3.23Å; Y1096-F1100 WeakPolarHBondContact O-CD2 3.37Å; Y1096-F1100 PolarHBondContact O-N 3.39Å; Y1096-N1109 HydrophobicContact CE2-CB 4.39Å; Y1096-L1112 HydrophobicContact CD2-CB 4.38Å; Y1096-L1112 HydrophobicContact CD2-CD2 3.89Å; Y1096-L1112 HydrophobicContact CD2-CG 3.91Å; Y1096-L1112 HydrophobicContact CE2-CB 4.14Å; Y1096-L1112 HydrophobicContact CE2-CD2 4.24Å; Y1096-L1112 HydrophobicContact CE2-CG 4.18Å; Y1096-S1113 PolarHBondContact OH-OG 2.95Å; Y1096-L1116 VanDerWaalsContact CB-CD1 3.46Å; Y1096-L1116 HydrophobicContact CD1-CD1 4.39Å; Y1096-L1116 HydrophobicContact CD2-CD1 3.97Å; Y1096-L1116 HydrophobicContact CG-CD1 3.67Å |
| 1097 | R | 87.2 | Confident | 81.8 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 30% | 0.302 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 178.1 | -71.3 | -177.8 | 59.5 | -136.3 | -10 | 112.6 | T653 W1093 E1094 H1095 S1101 | T653-R1097 VanDerWaalsContact C-NH1 3.35Å; T653-R1097 VanDerWaalsContact O-CZ 3.25Å; T653-R1097 PolarHBondContact O-NH1 3.02Å; T653-R1097 PolarHBondContact O-NH2 3.13Å; W1093-R1097 WeakPolarHBondContact O-CG 3.44Å; W1093-R1097 PolarHBondContact O-N 3.24Å; E1094-R1097 PolarHBondContact O-N 3.14Å; H1095-R1097 VanDerWaalsContact C-N 3.31Å; H1095-R1097 PolarHBondContact O-N 2.99Å; R1097-S1101 WeakPolarHBondContact O-CA 3.5Å; R1097-S1101 PolarHBondContact O-N 3.32Å; R1097-S1101 VanDerWaalsContact O-N 3.09Å; R1097-S1101 PolarHBondContact O-OG 3.32Å |
| 1098 | L | 87.4 | Confident | 80.3 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.3 | -179.8 | 63.8 | 0 | 0 | 0 | 112.1 | P962 E1094 H1095 | P962-L1098 HydrophobicContact CB-CD2 4.35Å; P962-L1098 HydrophobicContact CG-CD2 3.86Å; E1094-L1098 WeakPolarHBondContact O-CB 3.11Å; E1094-L1098 PolarHBondContact O-N 3.08Å; H1095-L1098 PolarHBondContact O-N 3.03Å |
| 1099 | I | 85.7 | Confident | 79.3 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.4 | -36.7 | -177.5 | -62.5 | 157 | 0 | 0 | 0 | 111.6 | H959 P962 R963 L966 H1095 Y1096 | H959-I1099 HydrophobicContact CB-CG1 4.08Å; P962-I1099 HydrophobicContact CB-CD1 3.98Å; P962-I1099 HydrophobicContact CB-CG1 4.09Å; R963-I1099 HydrophobicContact CB-CD1 4.34Å; R963-I1099 HydrophobicContact CG-CD1 3.78Å; R963-I1099 HydrophobicContact CG-CG1 4.01Å; R963-I1099 HydrophobicContact CG-CG2 4.06Å; L966-I1099 HydrophobicContact CB-CD1 4.44Å; L966-I1099 HydrophobicContact CD2-CD1 3.76Å; H1095-I1099 HydrophobicContact CB-CD1 4.2Å; H1095-I1099 WeakPolarHBondContact O-CB 3.28Å; H1095-I1099 WeakPolarHBondContact O-CD1 3.15Å; H1095-I1099 WeakPolarHBondContact O-CG1 3.3Å; H1095-I1099 PolarHBondContact O-N 2.73Å; Y1096-I1099 PolarHBondContact O-N 3.21Å |
| 1100 | F | 84.8 | Confident | 78.7 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 32.9 | -171.4 | -55.4 | -67 | 0 | 0 | 0 | 113.4 | L966 Y1096 S1102 E1105 N1109 L1112 | L966-F1100 HydrophobicContact CD2-CE2 4.44Å; Y1096-F1100 AromaticContact CD2-CD2 3.44Å; Y1096-F1100 HydrophobicContact CD2-CD2 3.44Å; Y1096-F1100 VanDerWaalsContact CD2-CD2 3.44Å; Y1096-F1100 AromaticContact CD2-CE2 3.9Å; Y1096-F1100 HydrophobicContact CD2-CE2 3.9Å; Y1096-F1100 HydrophobicContact CD2-CG 4.5Å; Y1096-F1100 HydrophobicContact CE2-CB 4.46Å; Y1096-F1100 AromaticContact CE2-CD2 3.52Å; Y1096-F1100 HydrophobicContact CE2-CD2 3.52Å; Y1096-F1100 HydrophobicContact CE2-CE2 4.11Å; Y1096-F1100 HydrophobicContact CE2-CG 4.26Å; Y1096-F1100 HydrophobicContact CG-CD2 4.2Å; Y1096-F1100 WeakPolarHBondContact O-CB 3.23Å; Y1096-F1100 WeakPolarHBondContact O-CD2 3.37Å; Y1096-F1100 PolarHBondContact O-N 3.39Å; F1100-S1102 PolarHBondContact O-N 3.06Å; F1100-S1102 VanDerWaalsContact O-N 3.13Å; F1100-E1105 HydrophobicContact CD1-CB 4.08Å; F1100-N1109 HydrophobicContact CE1-CB 4.47Å; F1100-N1109 WeakPolarHBondContact CE1-ND2 3.4Å; F1100-N1109 HydrophobicContact CZ-CB 4.39Å; F1100-L1112 HydrophobicContact CE2-CD2 3.86Å; F1100-L1112 HydrophobicContact CZ-CD2 4.5Å |
| 1101 | S | 74.9 | Confident | 78.3 | Confident | 102 Ų | 102 | 76.3 Ų | 76.3 | 71% | 0.713 | 37% | 0.371 | S | S | * | . | trans | -60.9 | -16.2 | 175.9 | -80 | 0 | 0 | 0 | 0 | 114.3 | R1097 | R1097-S1101 WeakPolarHBondContact O-CA 3.5Å; R1097-S1101 PolarHBondContact O-N 3.32Å; R1097-S1101 VanDerWaalsContact O-N 3.09Å; R1097-S1101 PolarHBondContact O-OG 3.32Å | ||
| 1102 | S | 66.6 | Low | 78.1 | Confident | 58 Ų | 58 | 72.3 Ų | 72.3 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -86.8 | 128.8 | 174.6 | -169.3 | 0 | 0 | 0 | 0 | 112 | F1100 K1104 E1105 S1106 | F1100-S1102 PolarHBondContact O-N 3.06Å; F1100-S1102 VanDerWaalsContact O-N 3.13Å; S1102-K1104 PolarHBondContact O-N 3.12Å; S1102-E1105 PolarHBondContact O-N 3.14Å; S1102-S1106 PolarHBondContact O-N 3.21Å |
| 1103 | E | 59.7 | Low | 77.8 | Confident | 155 Ų | 155 | 73.4 Ų | 73.4 | 72% | 0.724 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -54.8 | -24.9 | 174.9 | -169.3 | 179.2 | -133.3 | 0 | 0 | 113.6 | E1105 S1106 N1107 | E1103-E1105 VanDerWaalsContact C-N 3.34Å; E1103-S1106 PolarHBondContact O-OG 3.25Å; E1103-N1107 PolarHBondContact O-ND2 2.92Å |
| 1104 | K | 58.2 | Low | 77.7 | Confident | 166 Ų | 166 | 77.9 Ų | 77.9 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -82.2 | -7.7 | 175.8 | -66.6 | -178.4 | -179.3 | 175.5 | 0 | 114.1 | S1102 K1108 | S1102-K1104 PolarHBondContact O-N 3.12Å; K1104-K1108 WeakPolarHBondContact O-CE 3.42Å |
| 1105 | E | 60.8 | Low | 77.8 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 36% | 0.36 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -115.4 | -33.7 | -179.8 | -60.1 | -158.2 | 116.6 | 0 | 0 | 113.2 | F1100 S1102 E1103 N1107 K1108 N1109 | F1100-E1105 HydrophobicContact CD1-CB 4.08Å; S1102-E1105 PolarHBondContact O-N 3.14Å; E1103-E1105 VanDerWaalsContact C-N 3.34Å; E1105-N1107 VanDerWaalsContact C-N 3.32Å; E1105-N1107 PolarHBondContact O-N 3.45Å; E1105-K1108 WeakPolarHBondContact O-CB 3.48Å; E1105-K1108 PolarHBondContact O-N 3.15Å; E1105-K1108 VanDerWaalsContact O-N 3.08Å; E1105-N1109 PolarHBondContact O-ND2 2.58Å |
| 1106 | S | 61.1 | Low | 77.9 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 24% | 0.238 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 170.7 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | S1102 E1103 K1108 N1109 I1110 | S1102-S1106 PolarHBondContact O-N 3.21Å; E1103-S1106 PolarHBondContact O-OG 3.25Å; S1106-K1108 PolarHBondContact O-N 3.04Å; S1106-N1109 CarbonylContact O-C 3.53Å; S1106-N1109 PolarHBondContact O-N 3.48Å; S1106-I1110 PolarHBondContact O-N 3.02Å |
| 1107 | N | 60.4 | Low | 78 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -20.1 | 175.9 | -83.8 | -60.5 | 0 | 0 | 0 | 114.6 | E1103 E1105 | E1103-N1107 PolarHBondContact O-ND2 2.92Å; E1105-N1107 VanDerWaalsContact C-N 3.32Å; E1105-N1107 PolarHBondContact O-N 3.45Å |
| 1108 | K | 62.1 | Low | 78.2 | Confident | 154 Ų | 154 | 75 Ų | 75 | 67% | 0.67 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.7 | 175.7 | -61.6 | 174.3 | -175 | 162.5 | 0 | 112.8 | K1104 E1105 S1106 | K1104-K1108 WeakPolarHBondContact O-CE 3.42Å; E1105-K1108 WeakPolarHBondContact O-CB 3.48Å; E1105-K1108 PolarHBondContact O-N 3.15Å; E1105-K1108 VanDerWaalsContact O-N 3.08Å; S1106-K1108 PolarHBondContact O-N 3.04Å |
| 1109 | N | 75.2 | Confident | 78.6 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | trans | -122.7 | 26.7 | -170.7 | -68.3 | -74.3 | 0 | 0 | 0 | 113.1 | Y1096 F1100 E1105 S1106 K1111 L1112 S1113 | Y1096-N1109 HydrophobicContact CE2-CB 4.39Å; F1100-N1109 HydrophobicContact CE1-CB 4.47Å; F1100-N1109 WeakPolarHBondContact CE1-ND2 3.4Å; F1100-N1109 HydrophobicContact CZ-CB 4.39Å; E1105-N1109 PolarHBondContact O-ND2 2.58Å; S1106-N1109 CarbonylContact O-C 3.53Å; S1106-N1109 PolarHBondContact O-N 3.48Å; N1109-K1111 PolarHBondContact O-N 3.25Å; N1109-K1111 VanDerWaalsContact O-N 3.14Å; N1109-L1112 HydrophobicContact CB-CB 4.3Å; N1109-L1112 WeakPolarHBondContact O-CA 3.49Å; N1109-L1112 VanDerWaalsContact O-CB 3.26Å; N1109-L1112 WeakPolarHBondContact O-CB 3.46Å; N1109-L1112 PolarHBondContact O-N 3.22Å; N1109-S1113 PolarHBondContact O-N 2.99Å | ||
| 1110 | I | 80.7 | Confident | 79 | Confident | 82 Ų | 82 | 71 Ų | 71 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -49.7 | -43 | 179 | -63.3 | 169.1 | 0 | 0 | 0 | 111.8 | S1106 L1112 S1113 E1114 | S1106-I1110 PolarHBondContact O-N 3.02Å; I1110-L1112 PolarHBondContact O-N 2.77Å; I1110-L1112 VanDerWaalsContact O-N 3.15Å; I1110-S1113 WeakPolarHBondContact CA-OG 3.39Å; I1110-S1113 PolarHBondContact O-N 2.8Å; I1110-S1113 VanDerWaalsContact O-N 3.11Å; I1110-S1113 PolarHBondContact O-OG 3.43Å; I1110-E1114 HydrophobicContact CG2-CG 4.27Å; I1110-E1114 WeakPolarHBondContact O-CG 3.43Å; I1110-E1114 PolarHBondContact O-N 3.14Å |
| 1111 | K | 86 | Confident | 79.4 | Confident | 177 Ų | 177 | 70.6 Ų | 70.6 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58 | -26.2 | 175.8 | -65.3 | -172.7 | 177.9 | -174.5 | 0 | 114.4 | N1109 E1114 F1115 | N1109-K1111 PolarHBondContact O-N 3.25Å; N1109-K1111 VanDerWaalsContact O-N 3.14Å; K1111-E1114 WeakPolarHBondContact CA-OE2 3.45Å; K1111-F1115 WeakPolarHBondContact O-CB 3.33Å; K1111-F1115 PolarHBondContact O-N 3.21Å; K1111-F1115 VanDerWaalsContact O-N 3.11Å |
| 1112 | L | 88.9 | Confident | 80.4 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -80.3 | -41.4 | 176.7 | -172 | 57.1 | 0 | 0 | 0 | 110.9 | M905 L966 K970 Y1096 F1100 N1109 I1110 E1114 F1115 L1116 | M905-L1112 HydrophobicContact SD-CD2 4.12Å; L966-L1112 HydrophobicContact CD2-CD2 4.06Å; K970-L1112 HydrophobicContact CD-CD1 3.86Å; Y1096-L1112 HydrophobicContact CD2-CB 4.38Å; Y1096-L1112 HydrophobicContact CD2-CD2 3.89Å; Y1096-L1112 HydrophobicContact CD2-CG 3.91Å; Y1096-L1112 HydrophobicContact CE2-CB 4.14Å; Y1096-L1112 HydrophobicContact CE2-CD2 4.24Å; Y1096-L1112 HydrophobicContact CE2-CG 4.18Å; F1100-L1112 HydrophobicContact CE2-CD2 3.86Å; F1100-L1112 HydrophobicContact CZ-CD2 4.5Å; N1109-L1112 HydrophobicContact CB-CB 4.3Å; N1109-L1112 WeakPolarHBondContact O-CA 3.49Å; N1109-L1112 VanDerWaalsContact O-CB 3.26Å; N1109-L1112 WeakPolarHBondContact O-CB 3.46Å; N1109-L1112 PolarHBondContact O-N 3.22Å; I1110-L1112 PolarHBondContact O-N 2.77Å; I1110-L1112 VanDerWaalsContact O-N 3.15Å; L1112-E1114 VanDerWaalsContact C-N 3.34Å; L1112-F1115 HydrophobicContact CD1-CD1 4.15Å; L1112-F1115 PolarHBondContact O-N 3.39Å; L1112-L1116 HydrophobicContact CG-CD1 4.41Å; L1112-L1116 VanDerWaalsContact O-CG 3.27Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.2Å |
| 1113 | S | 88.4 | Confident | 81.7 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | 169.8 | 37.7 | 0 | 0 | 0 | 0 | 113 | Y1096 N1109 I1110 L1116 T1117 | Y1096-S1113 PolarHBondContact OH-OG 2.95Å; N1109-S1113 PolarHBondContact O-N 2.99Å; I1110-S1113 WeakPolarHBondContact CA-OG 3.39Å; I1110-S1113 PolarHBondContact O-N 2.8Å; I1110-S1113 VanDerWaalsContact O-N 3.11Å; I1110-S1113 PolarHBondContact O-OG 3.43Å; S1113-L1116 PolarHBondContact O-N 3.39Å; S1113-T1117 WeakPolarHBondContact O-CB 3.32Å; S1113-T1117 PolarHBondContact O-N 3.02Å; S1113-T1117 PolarHBondContact O-OG1 3.11Å |
| 1114 | E | 90.5 | Very high | 83.4 | Confident | 117 Ų | 117 | 57.2 Ų | 57.2 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 173.2 | -71.6 | 173 | 151.1 | 0 | 0 | 110.7 | I1110 K1111 L1112 L1116 T1117 D1118 | I1110-E1114 HydrophobicContact CG2-CG 4.27Å; I1110-E1114 WeakPolarHBondContact O-CG 3.43Å; I1110-E1114 PolarHBondContact O-N 3.14Å; K1111-E1114 WeakPolarHBondContact CA-OE2 3.45Å; L1112-E1114 VanDerWaalsContact C-N 3.34Å; E1114-L1116 PolarHBondContact O-N 3.43Å; E1114-T1117 PolarHBondContact O-N 3.21Å; E1114-D1118 PolarHBondContact O-N 2.86Å |
| 1115 | F | 93.4 | Very high | 85.1 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.5 | -48.5 | 175.2 | 165.2 | -98.2 | 0 | 0 | 0 | 112.6 | F969 K970 Y973 K1111 L1112 T1117 D1118 A1119 | F969-F1115 HydrophobicContact CD1-CE1 4.14Å; F969-F1115 AromaticContact CE1-CE1 3.9Å; F969-F1115 HydrophobicContact CE1-CE1 3.9Å; F969-F1115 HydrophobicContact CE1-CZ 4.23Å; K970-F1115 HydrophobicContact CB-CE1 3.93Å; K970-F1115 HydrophobicContact CB-CZ 4.27Å; K970-F1115 HydrophobicContact CG-CD1 4.11Å; K970-F1115 HydrophobicContact CG-CE1 3.76Å; K970-F1115 HydrophobicContact CG-CZ 3.99Å; Y973-F1115 HydrophobicContact CD1-CE2 4.07Å; Y973-F1115 HydrophobicContact CD1-CZ 4.21Å; Y973-F1115 HydrophobicContact CG-CE2 4.31Å; Y973-F1115 AromaticContact CG-CZ 3.98Å; Y973-F1115 HydrophobicContact CG-CZ 3.98Å; K1111-F1115 WeakPolarHBondContact O-CB 3.33Å; K1111-F1115 PolarHBondContact O-N 3.21Å; K1111-F1115 VanDerWaalsContact O-N 3.11Å; L1112-F1115 HydrophobicContact CD1-CD1 4.15Å; L1112-F1115 PolarHBondContact O-N 3.39Å; F1115-T1117 VanDerWaalsContact C-N 3.31Å; F1115-T1117 PolarHBondContact O-N 3.14Å; F1115-D1118 PolarHBondContact O-N 3.1Å; F1115-A1119 VanDerWaalsContact O-CB 3.27Å; F1115-A1119 WeakPolarHBondContact O-CB 3.43Å; F1115-A1119 PolarHBondContact O-N 3.37Å |
| 1116 | L | 93.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.5 | -34.7 | -179.4 | -66.7 | 170.6 | 0 | 0 | 0 | 112.2 | L966 F969 A1092 W1093 Y1096 L1112 S1113 E1114 A1119 M1120 | L966-L1116 HydrophobicContact CD1-CD1 4.08Å; L966-L1116 HydrophobicContact CD1-CD2 4.01Å; F969-L1116 HydrophobicContact CD1-CD2 4.03Å; F969-L1116 HydrophobicContact CE1-CD2 3.75Å; A1092-L1116 HydrophobicContact CB-CD2 3.74Å; W1093-L1116 HydrophobicContact CE3-CB 3.72Å; W1093-L1116 HydrophobicContact CE3-CD1 4.09Å; W1093-L1116 HydrophobicContact CZ3-CB 3.93Å; Y1096-L1116 VanDerWaalsContact CB-CD1 3.46Å; Y1096-L1116 HydrophobicContact CD1-CD1 4.39Å; Y1096-L1116 HydrophobicContact CD2-CD1 3.97Å; Y1096-L1116 HydrophobicContact CG-CD1 3.67Å; L1112-L1116 HydrophobicContact CG-CD1 4.41Å; L1112-L1116 VanDerWaalsContact O-CG 3.27Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 3.2Å; S1113-L1116 PolarHBondContact O-N 3.39Å; E1114-L1116 PolarHBondContact O-N 3.43Å; L1116-A1119 PolarHBondContact O-N 2.89Å; L1116-M1120 WeakPolarHBondContact O-CB 3.36Å; L1116-M1120 VanDerWaalsContact O-CG 3.25Å; L1116-M1120 WeakPolarHBondContact O-CG 3.35Å; L1116-M1120 PolarHBondContact O-N 3.27Å |
| 1117 | T | 92.3 | Very high | 88.3 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 20% | 0.202 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 175.7 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | F658 S1113 E1114 F1115 M1120 E1121 | F658-T1117 HydrophobicContact CZ-CG2 4.06Å; S1113-T1117 WeakPolarHBondContact O-CB 3.32Å; S1113-T1117 PolarHBondContact O-N 3.02Å; S1113-T1117 PolarHBondContact O-OG1 3.11Å; E1114-T1117 PolarHBondContact O-N 3.21Å; F1115-T1117 VanDerWaalsContact C-N 3.31Å; F1115-T1117 PolarHBondContact O-N 3.14Å; T1117-M1120 PolarHBondContact O-N 2.94Å; T1117-E1121 WeakPolarHBondContact CG2-OE1 3.44Å; T1117-E1121 WeakPolarHBondContact O-CG 3.37Å; T1117-E1121 PolarHBondContact O-N 3.33Å |
| 1118 | D | 92.9 | Very high | 89.8 | Confident | 79 Ų | 79 | 41.2 Ų | 41.2 | 42% | 0.422 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.7 | -170.2 | 54.2 | 0 | 0 | 0 | 110.7 | E1114 F1115 M1120 E1121 R1122 | E1114-D1118 PolarHBondContact O-N 2.86Å; F1115-D1118 PolarHBondContact O-N 3.1Å; D1118-M1120 PolarHBondContact O-N 3.5Å; D1118-E1121 PolarHBondContact O-N 3.19Å; D1118-R1122 WeakPolarHBondContact O-CB 3.47Å; D1118-R1122 WeakPolarHBondContact O-CG 3.42Å; D1118-R1122 PolarHBondContact O-N 3.18Å; D1118-R1122 VanDerWaalsContact OD2-CD 3.31Å; D1118-R1122 WeakPolarHBondContact OD2-CD 3.27Å; D1118-R1122 IonicContact OD2-NH1 3.94Å |
| 1119 | A | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.6 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F969 Y973 F1115 L1116 R1122 V1123 | F969-A1119 HydrophobicContact CE1-CB 4.42Å; F969-A1119 HydrophobicContact CZ-CB 4.37Å; Y973-A1119 HydrophobicContact CD1-CB 4.49Å; Y973-A1119 HydrophobicContact CD2-CB 4.02Å; Y973-A1119 HydrophobicContact CE1-CB 4.13Å; Y973-A1119 HydrophobicContact CE2-CB 3.6Å; Y973-A1119 HydrophobicContact CG-CB 4.46Å; Y973-A1119 WeakPolarHBondContact OH-CA 3.24Å; Y973-A1119 PolarHBondContact OH-O 3.48Å; Y973-A1119 VanDerWaalsContact OH-O 3.11Å; F1115-A1119 VanDerWaalsContact O-CB 3.27Å; F1115-A1119 WeakPolarHBondContact O-CB 3.43Å; F1115-A1119 PolarHBondContact O-N 3.37Å; L1116-A1119 PolarHBondContact O-N 2.89Å; A1119-R1122 PolarHBondContact O-N 3.23Å; A1119-V1123 VanDerWaalsContact O-CG2 3.3Å; A1119-V1123 WeakPolarHBondContact O-CG2 3.41Å; A1119-V1123 PolarHBondContact O-N 3.2Å |
| 1120 | M | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 177 | -68.9 | 168.8 | 85.5 | 0 | 0 | 111.8 | F658 W659 W1093 L1116 T1117 D1118 R1122 V1123 I1124 | F658-M1120 HydrophobicContact CD1-CE 3.75Å; F658-M1120 HydrophobicContact CD1-SD 3.93Å; F658-M1120 HydrophobicContact CE1-CE 4.2Å; F658-M1120 HydrophobicContact CE1-SD 3.76Å; W659-M1120 HydrophobicContact CE3-CB 4.36Å; W659-M1120 HydrophobicContact CE3-CE 3.75Å; W659-M1120 HydrophobicContact CE3-CG 4.43Å; W659-M1120 HydrophobicContact CZ3-CB 4.24Å; W659-M1120 HydrophobicContact CZ3-CE 4.43Å; W659-M1120 HydrophobicContact CZ3-CG 4.29Å; W1093-M1120 HydrophobicContact CB-CE 4.15Å; W1093-M1120 HydrophobicContact CB-SD 3.92Å; W1093-M1120 HydrophobicContact CD2-SD 4.06Å; W1093-M1120 HydrophobicContact CE3-SD 4.05Å; W1093-M1120 HydrophobicContact CG-CE 4.21Å; W1093-M1120 HydrophobicContact CG-SD 4.03Å; L1116-M1120 WeakPolarHBondContact O-CB 3.36Å; L1116-M1120 VanDerWaalsContact O-CG 3.25Å; L1116-M1120 WeakPolarHBondContact O-CG 3.35Å; L1116-M1120 PolarHBondContact O-N 3.27Å; T1117-M1120 PolarHBondContact O-N 2.94Å; D1118-M1120 PolarHBondContact O-N 3.5Å; M1120-R1122 VanDerWaalsContact C-N 3.29Å; M1120-R1122 PolarHBondContact O-N 2.86Å; M1120-V1123 PolarHBondContact O-N 3.41Å; M1120-I1124 WeakPolarHBondContact O-CD1 3.41Å; M1120-I1124 VanDerWaalsContact O-CG1 3.31Å; M1120-I1124 WeakPolarHBondContact O-CG1 3.37Å; M1120-I1124 PolarHBondContact O-N 2.84Å |
| 1121 | E | 94 | Very high | 92.8 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -38.6 | 174.9 | -76.7 | 175.2 | -142 | 0 | 0 | 112.4 | C662 K665 V666 R669 T1117 D1118 C1125 | C662-E1121 HydrophobicContact CB-CG 3.95Å; K665-E1121 WeakPolarHBondContact CD-OE1 3.47Å; K665-E1121 VanDerWaalsContact CE-OE1 3.23Å; K665-E1121 WeakPolarHBondContact CE-OE1 3.42Å; K665-E1121 WeakPolarHBondContact CE-OE2 3.43Å; K665-E1121 IonicContact NZ-OE1 3.86Å; K665-E1121 PolarHBondContact NZ-OE1 3.19Å; K665-E1121 IonicContact NZ-OE2 2.66Å; K665-E1121 PolarHBondContact NZ-OE2 2.83Å; V666-E1121 HydrophobicContact CG2-CB 3.76Å; V666-E1121 HydrophobicContact CG2-CG 3.93Å; V666-E1121 VanDerWaalsContact CG2-O 3.23Å; V666-E1121 WeakPolarHBondContact CG2-O 3.22Å; R669-E1121 IonicContact CZ-OE2 2.74Å; R669-E1121 IonicContact NH1-OE2 3.15Å; R669-E1121 PolarHBondContact NH1-OE2 3.23Å; R669-E1121 IonicContact NH2-OE2 2.73Å; T1117-E1121 WeakPolarHBondContact CG2-OE1 3.44Å; T1117-E1121 WeakPolarHBondContact O-CG 3.37Å; T1117-E1121 PolarHBondContact O-N 3.33Å; D1118-E1121 PolarHBondContact O-N 3.19Å; E1121-C1125 WeakPolarHBondContact O-CB 3.29Å; E1121-C1125 PolarHBondContact O-N 2.75Å |
| 1122 | R | 94.4 | Very high | 93.2 | Very high | 33 Ų | 33 | 30 Ų | 30 | 13% | 0.125 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73 | -38.2 | 178.1 | -69.6 | 174.8 | 85.4 | 87.1 | 18.4 | 113.3 | L673 K674 Y973 E977 D1118 A1119 M1120 I1124 C1125 L1126 | L673-R1122 HydrophobicContact CD1-CB 3.96Å; L673-R1122 HydrophobicContact CD1-CG 4.15Å; K674-R1122 VanDerWaalsContact CD-NH2 3.27Å; Y973-R1122 WeakPolarHBondContact OH-CB 3.33Å; E977-R1122 VanDerWaalsContact CD-NE 3.35Å; E977-R1122 IonicContact OE1-CZ 3.38Å; E977-R1122 IonicContact OE1-NE 3.6Å; E977-R1122 PolarHBondContact OE1-NE 3.41Å; E977-R1122 IonicContact OE1-NH2 2.87Å; E977-R1122 PolarHBondContact OE1-NH2 2.73Å; E977-R1122 IonicContact OE2-CZ 2.78Å; E977-R1122 IonicContact OE2-NE 3.41Å; E977-R1122 PolarHBondContact OE2-NE 3.37Å; E977-R1122 IonicContact OE2-NH2 3.55Å; D1118-R1122 WeakPolarHBondContact O-CB 3.47Å; D1118-R1122 WeakPolarHBondContact O-CG 3.42Å; D1118-R1122 PolarHBondContact O-N 3.18Å; D1118-R1122 VanDerWaalsContact OD2-CD 3.31Å; D1118-R1122 WeakPolarHBondContact OD2-CD 3.27Å; D1118-R1122 IonicContact OD2-NH1 3.94Å; A1119-R1122 PolarHBondContact O-N 3.23Å; M1120-R1122 VanDerWaalsContact C-N 3.29Å; M1120-R1122 PolarHBondContact O-N 2.86Å; R1122-I1124 VanDerWaalsContact C-N 3.35Å; R1122-C1125 VanDerWaalsContact O-CB 3.32Å; R1122-C1125 WeakPolarHBondContact O-CB 3.39Å; R1122-C1125 PolarHBondContact O-N 2.69Å; R1122-L1126 PolarHBondContact O-N 3.42Å |
| 1123 | V | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | W659 Y973 L1082 L1085 E1086 A1119 M1120 C1125 L1126 Q1127 | W659-V1123 HydrophobicContact CH2-CB 4.43Å; W659-V1123 HydrophobicContact CH2-CG1 3.98Å; Y973-V1123 HydrophobicContact CE2-CG2 3.94Å; L1082-V1123 HydrophobicContact CD1-CG1 4.3Å; L1085-V1123 HydrophobicContact CD2-CG2 3.83Å; L1085-V1123 HydrophobicContact CG-CG2 3.71Å; E1086-V1123 HydrophobicContact CB-CG1 4.15Å; A1119-V1123 VanDerWaalsContact O-CG2 3.3Å; A1119-V1123 WeakPolarHBondContact O-CG2 3.41Å; A1119-V1123 PolarHBondContact O-N 3.2Å; M1120-V1123 PolarHBondContact O-N 3.41Å; V1123-C1125 VanDerWaalsContact C-N 3.31Å; V1123-C1125 PolarHBondContact O-N 3.01Å; V1123-L1126 WeakPolarHBondContact O-CB 3.47Å; V1123-L1126 PolarHBondContact O-N 2.94Å; V1123-Q1127 WeakPolarHBondContact O-CG 3.49Å; V1123-Q1127 PolarHBondContact O-N 3.17Å |
| 1124 | I | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -37.3 | 173.8 | -62.8 | 156.2 | 0 | 0 | 0 | 110.9 | W659 C662 L663 V666 M1120 R1122 Q1127 M1128 | W659-I1124 HydrophobicContact CD2-CD1 3.97Å; W659-I1124 HydrophobicContact CD2-CG1 4.22Å; W659-I1124 HydrophobicContact CE3-CD1 4.02Å; W659-I1124 HydrophobicContact CE3-CG1 4.29Å; W659-I1124 HydrophobicContact CH2-CD1 4.28Å; W659-I1124 HydrophobicContact CH2-CG1 3.65Å; W659-I1124 HydrophobicContact CZ2-CD1 4.23Å; W659-I1124 HydrophobicContact CZ2-CG1 3.54Å; W659-I1124 HydrophobicContact CZ3-CD1 4.18Å; W659-I1124 HydrophobicContact CZ3-CG1 4.03Å; C662-I1124 HydrophobicContact CB-CD1 3.67Å; L663-I1124 HydrophobicContact CB-CD1 3.94Å; L663-I1124 HydrophobicContact CB-CG2 4.05Å; L663-I1124 HydrophobicContact CD1-CG2 4.05Å; L663-I1124 HydrophobicContact CG-CG2 4Å; V666-I1124 HydrophobicContact CB-CG2 4.21Å; V666-I1124 HydrophobicContact CG1-CG2 4.18Å; V666-I1124 HydrophobicContact CG2-CB 4.4Å; V666-I1124 HydrophobicContact CG2-CG2 4.47Å; M1120-I1124 WeakPolarHBondContact O-CD1 3.41Å; M1120-I1124 VanDerWaalsContact O-CG1 3.31Å; M1120-I1124 WeakPolarHBondContact O-CG1 3.37Å; M1120-I1124 PolarHBondContact O-N 2.84Å; R1122-I1124 VanDerWaalsContact C-N 3.35Å; I1124-Q1127 PolarHBondContact O-N 2.85Å; I1124-M1128 WeakPolarHBondContact O-CG 3.31Å; I1124-M1128 PolarHBondContact O-N 3.07Å |
| 1125 | C | 93.8 | Very high | 93.7 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 5% | 0.054 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 171.8 | -167 | 0 | 0 | 0 | 0 | 111.2 | V666 L673 E1121 R1122 V1123 Q1127 M1128 V1129 | V666-C1125 HydrophobicContact CG1-CB 4.1Å; L673-C1125 HydrophobicContact CD1-CB 4.38Å; E1121-C1125 WeakPolarHBondContact O-CB 3.29Å; E1121-C1125 PolarHBondContact O-N 2.75Å; R1122-C1125 VanDerWaalsContact O-CB 3.32Å; R1122-C1125 WeakPolarHBondContact O-CB 3.39Å; R1122-C1125 PolarHBondContact O-N 2.69Å; V1123-C1125 VanDerWaalsContact C-N 3.31Å; V1123-C1125 PolarHBondContact O-N 3.01Å; C1125-Q1127 VanDerWaalsContact C-N 3.31Å; C1125-Q1127 PolarHBondContact O-N 3.13Å; C1125-M1128 PolarHBondContact O-N 3.28Å; C1125-M1128 VanDerWaalsContact O-N 3.13Å; C1125-V1129 WeakPolarHBondContact O-CG2 3.23Å; C1125-V1129 PolarHBondContact O-N 3.09Å |
| 1126 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57 | -39.8 | 174 | -82.9 | 171.2 | 0 | 0 | 0 | 112.6 | L673 E977 I980 A981 L984 L1082 L1085 R1122 V1123 V1129 Y1130 | L673-L1126 HydrophobicContact CD1-CG 4.43Å; L673-L1126 HydrophobicContact CD2-CD1 4.41Å; L673-L1126 HydrophobicContact CD2-CD2 3.42Å; L673-L1126 VanDerWaalsContact CD2-CD2 3.42Å; L673-L1126 HydrophobicContact CD2-CG 3.71Å; E977-L1126 HydrophobicContact CG-CD1 3.89Å; I980-L1126 HydrophobicContact CB-CD1 4.44Å; I980-L1126 HydrophobicContact CB-CD2 4.38Å; I980-L1126 HydrophobicContact CG2-CD1 4.5Å; I980-L1126 HydrophobicContact CG2-CD2 4Å; A981-L1126 HydrophobicContact CB-CD2 4.16Å; L984-L1126 HydrophobicContact CD1-CD2 4.13Å; L1082-L1126 HydrophobicContact CD1-CB 3.76Å; L1082-L1126 HydrophobicContact CD1-CD1 4.45Å; L1085-L1126 HydrophobicContact CD2-CD1 4.39Å; R1122-L1126 PolarHBondContact O-N 3.42Å; V1123-L1126 WeakPolarHBondContact O-CB 3.47Å; V1123-L1126 PolarHBondContact O-N 2.94Å; L1126-V1129 PolarHBondContact O-N 3.32Å; L1126-Y1130 VanDerWaalsContact O-CB 3.27Å; L1126-Y1130 WeakPolarHBondContact O-CB 3.12Å; L1126-Y1130 PolarHBondContact O-N 3.11Å |
| 1127 | Q | 94.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 11% | 0.107 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 175 | -72.3 | -171.6 | -14 | 0 | 0 | 113.1 | L1082 E1086 V1123 I1124 C1125 R1131 | L1082-Q1127 HydrophobicContact CD1-CG 4.04Å; L1082-Q1127 HydrophobicContact CD2-CG 4.1Å; L1082-Q1127 HydrophobicContact CG-CG 4.03Å; E1086-Q1127 PolarHBondContact OE2-NE2 3.09Å; V1123-Q1127 WeakPolarHBondContact O-CG 3.49Å; V1123-Q1127 PolarHBondContact O-N 3.17Å; I1124-Q1127 PolarHBondContact O-N 2.85Å; C1125-Q1127 VanDerWaalsContact C-N 3.31Å; C1125-Q1127 PolarHBondContact O-N 3.13Å; Q1127-R1131 WeakPolarHBondContact O-CB 3.45Å; Q1127-R1131 VanDerWaalsContact O-CG 3.25Å; Q1127-R1131 WeakPolarHBondContact O-CG 3.48Å; Q1127-R1131 PolarHBondContact O-N 3.31Å |
| 1128 | M | 92.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 24.7 Ų | 24.7 | 8% | 0.084 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 174.2 | -70.3 | -176.3 | 64.7 | 0 | 0 | 111.5 | V666 K667 L671 I1124 C1125 R1132 | V666-M1128 HydrophobicContact CG1-SD 4Å; K667-M1128 HydrophobicContact CG-CE 4.25Å; K667-M1128 HydrophobicContact CG-SD 4.17Å; L671-M1128 HydrophobicContact CD1-CB 4.49Å; L671-M1128 HydrophobicContact CD2-CB 3.96Å; L671-M1128 HydrophobicContact CD2-CE 4.25Å; L671-M1128 HydrophobicContact CD2-SD 4.36Å; I1124-M1128 WeakPolarHBondContact O-CG 3.31Å; I1124-M1128 PolarHBondContact O-N 3.07Å; C1125-M1128 PolarHBondContact O-N 3.28Å; C1125-M1128 VanDerWaalsContact O-N 3.13Å; M1128-R1132 WeakPolarHBondContact O-CB 3.4Å; M1128-R1132 WeakPolarHBondContact O-CG 3.2Å; M1128-R1132 PolarHBondContact O-N 3.19Å |
| 1129 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L671 F678 L681 L984 C1125 L1126 R1131 R1132 M1133 | L671-V1129 HydrophobicContact CB-CG2 4.3Å; L671-V1129 HydrophobicContact CD1-CG2 4.28Å; F678-V1129 HydrophobicContact CB-CG1 4.41Å; F678-V1129 HydrophobicContact CB-CG2 3.78Å; F678-V1129 HydrophobicContact CD1-CG1 3.49Å; F678-V1129 VanDerWaalsContact CD1-CG1 3.49Å; F678-V1129 HydrophobicContact CD1-CG2 4.36Å; F678-V1129 HydrophobicContact CD2-CG1 4.04Å; F678-V1129 HydrophobicContact CD2-CG2 3.86Å; F678-V1129 HydrophobicContact CE1-CG1 3.54Å; F678-V1129 HydrophobicContact CE2-CG1 4.09Å; F678-V1129 HydrophobicContact CE2-CG2 4.5Å; F678-V1129 HydrophobicContact CG-CB 4.46Å; F678-V1129 HydrophobicContact CG-CG1 3.74Å; F678-V1129 HydrophobicContact CG-CG2 3.77Å; F678-V1129 HydrophobicContact CZ-CG1 3.84Å; L681-V1129 HydrophobicContact CD1-CB 4.36Å; L681-V1129 HydrophobicContact CD1-CG1 4Å; L681-V1129 HydrophobicContact CD1-CG2 4.39Å; L984-V1129 HydrophobicContact CB-CG1 4.15Å; L984-V1129 HydrophobicContact CD1-CG1 4.1Å; C1125-V1129 WeakPolarHBondContact O-CG2 3.23Å; C1125-V1129 PolarHBondContact O-N 3.09Å; L1126-V1129 PolarHBondContact O-N 3.32Å; V1129-R1131 PolarHBondContact O-N 2.88Å; V1129-R1132 PolarHBondContact O-N 3.44Å; V1129-M1133 WeakPolarHBondContact O-CB 3.4Å; V1129-M1133 PolarHBondContact O-N 3.48Å |
| 1130 | Y | 95 | Very high | 93.5 | Very high | 58 Ų | 58 | 23.7 Ų | 23.7 | 23% | 0.227 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.8 | -50.4 | 176.9 | 175.9 | -88.9 | 0 | 0 | 0 | 111.4 | L984 L1078 P1079 L1082 L1126 M1133 S1134 | L984-Y1130 HydrophobicContact CD2-CD2 4.09Å; L1078-Y1130 HydrophobicContact CD2-CD2 4.36Å; L1078-Y1130 HydrophobicContact CD2-CE2 4.28Å; P1079-Y1130 HydrophobicContact CB-CE2 4.29Å; L1082-Y1130 HydrophobicContact CD2-CD2 4.31Å; L1082-Y1130 HydrophobicContact CD2-CG 3.91Å; L1126-Y1130 VanDerWaalsContact O-CB 3.27Å; L1126-Y1130 WeakPolarHBondContact O-CB 3.12Å; L1126-Y1130 PolarHBondContact O-N 3.11Å; Y1130-M1133 PolarHBondContact O-N 3.36Å; Y1130-S1134 VanDerWaalsContact O-CB 3.23Å; Y1130-S1134 WeakPolarHBondContact O-CB 3.38Å; Y1130-S1134 PolarHBondContact O-N 2.67Å; Y1130-S1134 PolarHBondContact O-OG 3Å |
| 1131 | R | 92.5 | Very high | 93.5 | Very high | 146 Ų | 146 | 23.7 Ų | 23.7 | 55% | 0.551 | 10% | 0.102 | S | C | * | . | H | α-helix | trans | -62.5 | -47.9 | -179.5 | -70.2 | 176 | -165.4 | -148.4 | 7.5 | 112.1 | Q1127 V1129 S1134 A1135 | Q1127-R1131 WeakPolarHBondContact O-CB 3.45Å; Q1127-R1131 VanDerWaalsContact O-CG 3.25Å; Q1127-R1131 WeakPolarHBondContact O-CG 3.48Å; Q1127-R1131 PolarHBondContact O-N 3.31Å; V1129-R1131 PolarHBondContact O-N 2.88Å; R1131-S1134 PolarHBondContact O-N 3.07Å; R1131-A1135 WeakPolarHBondContact O-CB 3.03Å; R1131-A1135 PolarHBondContact O-N 3.05Å |
| 1132 | R | 93.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 10% | 0.098 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.5 | -35.8 | 179.5 | -69.2 | -179.5 | -172.5 | 179.7 | 3.9 | 112.8 | L681 E682 E685 M1128 V1129 A1135 R1136 | L681-R1132 HydrophobicContact CB-CB 3.89Å; L681-R1132 HydrophobicContact CD1-CB 4Å; L681-R1132 HydrophobicContact CD2-CB 4.17Å; L681-R1132 HydrophobicContact CG-CB 4.25Å; L681-R1132 PolarHBondContact O-NH1 3.32Å; E682-R1132 WeakPolarHBondContact O-CD 3.41Å; E682-R1132 PolarHBondContact O-NE 3.5Å; E685-R1132 HydrophobicContact CB-CB 4.49Å; E685-R1132 HydrophobicContact CB-CG 4.46Å; M1128-R1132 WeakPolarHBondContact O-CB 3.4Å; M1128-R1132 WeakPolarHBondContact O-CG 3.2Å; M1128-R1132 PolarHBondContact O-N 3.19Å; V1129-R1132 PolarHBondContact O-N 3.44Å; R1132-A1135 PolarHBondContact O-N 3.25Å; R1132-R1136 VanDerWaalsContact O-CB 3.26Å; R1132-R1136 WeakPolarHBondContact O-CB 3.44Å; R1132-R1136 PolarHBondContact O-N 2.89Å |
| 1133 | M | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.7 | -32.7 | 175.4 | -162.3 | 62.8 | -122.6 | 0 | 0 | 111.5 | L681 L984 L987 K988 V991 V1129 Y1130 R1136 F1137 | L681-M1133 HydrophobicContact CD1-CB 4.45Å; L681-M1133 HydrophobicContact CD2-SD 4.04Å; L984-M1133 HydrophobicContact CD2-CB 4.28Å; L987-M1133 HydrophobicContact CB-CG 4.35Å; L987-M1133 HydrophobicContact CD2-CG 3.89Å; L987-M1133 HydrophobicContact CG-CE 4.1Å; L987-M1133 HydrophobicContact CG-CG 3.96Å; K988-M1133 HydrophobicContact CB-CE 4.49Å; K988-M1133 HydrophobicContact CB-SD 3.68Å; K988-M1133 HydrophobicContact CG-SD 4.36Å; V991-M1133 HydrophobicContact CB-CE 4.18Å; V991-M1133 HydrophobicContact CG2-CE 3.69Å; V1129-M1133 WeakPolarHBondContact O-CB 3.4Å; V1129-M1133 PolarHBondContact O-N 3.48Å; Y1130-M1133 PolarHBondContact O-N 3.36Å; M1133-R1136 HydrophobicContact CE-CB 3.97Å; M1133-R1136 HydrophobicContact CE-CG 3.74Å; M1133-F1137 VanDerWaalsContact O-CB 3.23Å; M1133-F1137 WeakPolarHBondContact O-CB 3.37Å; M1133-F1137 PolarHBondContact O-N 2.87Å |
| 1134 | S | 92.3 | Very high | 92.9 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 22% | 0.224 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.6 | -38 | 169.3 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | Y1130 R1131 R1138 | Y1130-S1134 VanDerWaalsContact O-CB 3.23Å; Y1130-S1134 WeakPolarHBondContact O-CB 3.38Å; Y1130-S1134 PolarHBondContact O-N 2.67Å; Y1130-S1134 PolarHBondContact O-OG 3Å; R1131-S1134 PolarHBondContact O-N 3.07Å; S1134-R1138 VanDerWaalsContact O-CB 3.31Å; S1134-R1138 WeakPolarHBondContact O-CB 3.49Å; S1134-R1138 VanDerWaalsContact O-CG 3.23Å; S1134-R1138 WeakPolarHBondContact O-CG 3.08Å; S1134-R1138 PolarHBondContact O-N 3.31Å; S1134-R1138 PolarHBondContact O-NE 3.22Å |
| 1135 | A | 91.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.3 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E685 R1131 R1132 R1138 H1139 | E685-A1135 HydrophobicContact CB-CB 4.32Å; E685-A1135 WeakPolarHBondContact O-CB 3.31Å; R1131-A1135 WeakPolarHBondContact O-CB 3.03Å; R1131-A1135 PolarHBondContact O-N 3.05Å; R1132-A1135 PolarHBondContact O-N 3.25Å; A1135-R1138 CarbonylContact O-C 3.54Å; A1135-R1138 VanDerWaalsContact O-CA 3.23Å; A1135-R1138 WeakPolarHBondContact O-CA 3.24Å; A1135-R1138 WeakPolarHBondContact O-CB 3.37Å; A1135-R1138 PolarHBondContact O-N 3.48Å; A1135-R1138 VanDerWaalsContact O-N 3.14Å; A1135-H1139 PolarHBondContact O-N 3.36Å; A1135-H1139 PolarHBondContact O-ND1 2.89Å |
| 1136 | R | 92.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.8 | -40.2 | 174 | 175.6 | 171.3 | -74.1 | -175.2 | 3.8 | 112.3 | D680 L681 E685 V825 V991 R1132 M1133 R1138 H1139 T1140 | D680-R1136 PolarHBondContact O-NH2 3.01Å; D680-R1136 IonicContact OD2-CZ 2.74Å; D680-R1136 IonicContact OD2-NH1 3.96Å; D680-R1136 PolarHBondContact OD2-NH1 2.78Å; L681-R1136 HydrophobicContact CD2-CB 4.36Å; E685-R1136 VanDerWaalsContact CD-NH2 3.31Å; E685-R1136 IonicContact OE1-CZ 2.68Å; E685-R1136 VanDerWaalsContact OE1-CZ 3.3Å; E685-R1136 IonicContact OE1-NE 3.83Å; E685-R1136 PolarHBondContact OE1-NE 3.34Å; E685-R1136 IonicContact OE1-NH2 3.86Å; E685-R1136 PolarHBondContact OE1-NH2 3.46Å; E685-R1136 IonicContact OE2-CZ 2.67Å; E685-R1136 IonicContact OE2-NE 3.87Å; E685-R1136 IonicContact OE2-NH2 2.67Å; E685-R1136 PolarHBondContact OE2-NH2 3.02Å; V825-R1136 HydrophobicContact CG1-CG 3.78Å; V991-R1136 HydrophobicContact CG1-CG 4.43Å; R1132-R1136 VanDerWaalsContact O-CB 3.26Å; R1132-R1136 WeakPolarHBondContact O-CB 3.44Å; R1132-R1136 PolarHBondContact O-N 2.89Å; M1133-R1136 HydrophobicContact CE-CB 3.97Å; M1133-R1136 HydrophobicContact CE-CG 3.74Å; R1136-R1138 VanDerWaalsContact C-N 3.26Å; R1136-R1138 PolarHBondContact O-N 3Å; R1136-H1139 CarbonylContact O-C 3.58Å; R1136-H1139 WeakPolarHBondContact O-CA 3.22Å; R1136-H1139 WeakPolarHBondContact O-CB 3.33Å; R1136-H1139 PolarHBondContact O-N 2.86Å; R1136-H1139 VanDerWaalsContact O-O 3.09Å; R1136-T1140 PolarHBondContact O-N 3.12Å; R1136-T1140 PolarHBondContact O-OG1 3.36Å |
| 1137 | F | 93.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -41.3 | 166.6 | 177 | -104.5 | 0 | 0 | 0 | 110.2 | V829 L987 M1133 H1139 T1140 T1154 V1156 F1159 | V829-F1137 WeakPolarHBondContact CB-O 3.34Å; V829-F1137 HydrophobicContact CG2-CD1 4.47Å; V829-F1137 HydrophobicContact CG2-CE1 4.29Å; V829-F1137 WeakPolarHBondContact CG2-O 3.17Å; L987-F1137 HydrophobicContact CD1-CD2 3.93Å; L987-F1137 HydrophobicContact CD1-CG 4.47Å; L987-F1137 HydrophobicContact CD2-CB 4.4Å; M1133-F1137 VanDerWaalsContact O-CB 3.23Å; M1133-F1137 WeakPolarHBondContact O-CB 3.37Å; M1133-F1137 PolarHBondContact O-N 2.87Å; F1137-H1139 PolarHBondContact O-N 2.93Å; F1137-T1140 PolarHBondContact O-N 3.37Å; F1137-T1154 HydrophobicContact CE1-CG2 4.01Å; F1137-T1154 HydrophobicContact CZ-CG2 4.04Å; F1137-V1156 HydrophobicContact CD1-CG2 3.62Å; F1137-V1156 HydrophobicContact CD2-CG2 4.29Å; F1137-V1156 HydrophobicContact CE1-CB 4.41Å; F1137-V1156 HydrophobicContact CE1-CG2 3.7Å; F1137-V1156 HydrophobicContact CE2-CG2 4.36Å; F1137-V1156 HydrophobicContact CG-CG2 3.92Å; F1137-V1156 HydrophobicContact CZ-CB 4.4Å; F1137-V1156 HydrophobicContact CZ-CG2 4.08Å; F1137-F1159 AromaticContact CE2-CD1 3.68Å; F1137-F1159 HydrophobicContact CE2-CD1 3.68Å; F1137-F1159 HydrophobicContact CE2-CE1 4.26Å; F1137-F1159 HydrophobicContact CE2-CG 4.42Å; F1137-F1159 HydrophobicContact CZ-CB 4.1Å; F1137-F1159 AromaticContact CZ-CD1 3.92Å; F1137-F1159 HydrophobicContact CZ-CD1 3.92Å; F1137-F1159 HydrophobicContact CZ-CG 4.23Å |
| 1138 | R | 92.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 21% | 0.211 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 5.7 | 167.3 | -70.2 | -177.8 | -53.5 | 119.4 | -0.9 | 114.9 | D688 V829 S1134 A1135 R1136 | D688-R1138 IonicContact OD1-CZ 2.68Å; D688-R1138 VanDerWaalsContact OD1-CZ 3.25Å; D688-R1138 IonicContact OD1-NH1 2.96Å; D688-R1138 PolarHBondContact OD1-NH1 3.39Å; D688-R1138 IonicContact OD1-NH2 2.86Å; D688-R1138 PolarHBondContact OD1-NH2 2.97Å; D688-R1138 IonicContact OD2-CZ 3.6Å; D688-R1138 IonicContact OD2-NH1 2.7Å; D688-R1138 IonicContact OD2-NH2 3.48Å; D688-R1138 PolarHBondContact OD2-NH2 3.39Å; V829-R1138 VanDerWaalsContact CB-C 3.41Å; V829-R1138 VanDerWaalsContact CB-CA 3.48Å; V829-R1138 HydrophobicContact CB-CB 4.47Å; V829-R1138 WeakPolarHBondContact CB-O 3.46Å; V829-R1138 HydrophobicContact CG1-CB 4Å; V829-R1138 HydrophobicContact CG1-CG 4.29Å; V829-R1138 WeakPolarHBondContact CG1-O 3.27Å; S1134-R1138 VanDerWaalsContact O-CB 3.31Å; S1134-R1138 WeakPolarHBondContact O-CB 3.49Å; S1134-R1138 VanDerWaalsContact O-CG 3.23Å; S1134-R1138 WeakPolarHBondContact O-CG 3.08Å; S1134-R1138 PolarHBondContact O-N 3.31Å; S1134-R1138 PolarHBondContact O-NE 3.22Å; A1135-R1138 CarbonylContact O-C 3.54Å; A1135-R1138 VanDerWaalsContact O-CA 3.23Å; A1135-R1138 WeakPolarHBondContact O-CA 3.24Å; A1135-R1138 WeakPolarHBondContact O-CB 3.37Å; A1135-R1138 PolarHBondContact O-N 3.48Å; A1135-R1138 VanDerWaalsContact O-N 3.14Å; R1136-R1138 VanDerWaalsContact C-N 3.26Å; R1136-R1138 PolarHBondContact O-N 3Å |
| 1139 | H | 91.7 | Very high | 91.6 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 49.6 | 162.5 | -58.3 | -10.9 | 0 | 0 | 0 | 109.7 | R827 A1135 R1136 F1137 | R827-H1139 CarbonylContact C-O 3.07Å; R827-H1139 CarbonylContact O-C 3.52Å; A1135-H1139 PolarHBondContact O-N 3.36Å; A1135-H1139 PolarHBondContact O-ND1 2.89Å; R1136-H1139 CarbonylContact O-C 3.58Å; R1136-H1139 WeakPolarHBondContact O-CA 3.22Å; R1136-H1139 WeakPolarHBondContact O-CB 3.33Å; R1136-H1139 PolarHBondContact O-N 2.86Å; R1136-H1139 VanDerWaalsContact O-O 3.09Å; F1137-H1139 PolarHBondContact O-N 2.93Å |
| 1140 | T | 92.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -132.4 | 11.2 | 171 | -48.1 | 0 | 0 | 0 | 0 | 120.4 | D828 V991 L994 I995 R1136 F1137 L1144 | D828-T1140 VanDerWaalsContact CA-N 3.25Å; D828-T1140 WeakPolarHBondContact OD1-CA 3.41Å; D828-T1140 VanDerWaalsContact OD1-O 3.13Å; V991-T1140 HydrophobicContact CB-CG2 4.28Å; V991-T1140 HydrophobicContact CG1-CG2 3.9Å; V991-T1140 WeakPolarHBondContact CG1-OG1 3.5Å; V991-T1140 HydrophobicContact CG2-CG2 4Å; L994-T1140 HydrophobicContact CD2-CG2 3.85Å; I995-T1140 HydrophobicContact CD1-CG2 4.14Å; I995-T1140 HydrophobicContact CG1-CG2 4.29Å; R1136-T1140 PolarHBondContact O-N 3.12Å; R1136-T1140 PolarHBondContact O-OG1 3.36Å; F1137-T1140 PolarHBondContact O-N 3.37Å; T1140-L1144 WeakPolarHBondContact O-CD1 3.33Å |
| 1141 | L | 93.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -142 | -7.6 | 179.8 | -20.8 | 170.2 | 0 | 0 | 0 | 120.1 | D828 V829 I832 Y1143 L1144 G1145 Y1146 T1154 F1159 | D828-L1141 VanDerWaalsContact CB-N 3.34Å; D828-L1141 VanDerWaalsContact CG-C 3.45Å; D828-L1141 PolarHBondContact OD1-N 2.83Å; D828-L1141 WeakPolarHBondContact OD2-CA 3.45Å; D828-L1141 PolarHBondContact OD2-N 3.45Å; D828-L1141 VanDerWaalsContact OD2-N 3.11Å; V829-L1141 VanDerWaalsContact C-CB 3.42Å; V829-L1141 VanDerWaalsContact CA-CA 3.45Å; V829-L1141 HydrophobicContact CB-CG 4.34Å; V829-L1141 HydrophobicContact CG2-CD1 4.08Å; V829-L1141 HydrophobicContact CG2-CG 3.78Å; V829-L1141 WeakPolarHBondContact O-CB 3.32Å; V829-L1141 VanDerWaalsContact O-CD1 3.31Å; V829-L1141 WeakPolarHBondContact O-CD1 3.43Å; V829-L1141 WeakPolarHBondContact O-CG 3.29Å; I832-L1141 HydrophobicContact CD1-CD1 4.21Å; L1141-Y1143 PolarHBondContact O-N 2.96Å; L1141-L1144 HydrophobicContact CB-CB 4.12Å; L1141-L1144 HydrophobicContact CB-CD1 3.92Å; L1141-L1144 HydrophobicContact CB-CG 4.35Å; L1141-L1144 HydrophobicContact CD2-CD1 3.72Å; L1141-L1144 HydrophobicContact CG-CD1 4.4Å; L1141-L1144 CarbonylContact O-C 3.43Å; L1141-L1144 VanDerWaalsContact O-CA 3.27Å; L1141-L1144 WeakPolarHBondContact O-CA 3.48Å; L1141-L1144 WeakPolarHBondContact O-CB 3.38Å; L1141-L1144 PolarHBondContact O-N 2.69Å; L1141-G1145 PolarHBondContact O-N 2.88Å; L1141-Y1146 HydrophobicContact CB-CD1 3.94Å; L1141-Y1146 HydrophobicContact CB-CE1 3.67Å; L1141-Y1146 HydrophobicContact CD1-CE1 4.43Å; L1141-Y1146 WeakPolarHBondContact O-CD1 3.17Å; L1141-Y1146 WeakPolarHBondContact O-CE1 3.33Å; L1141-T1154 HydrophobicContact CD1-CG2 4.43Å; L1141-F1159 HydrophobicContact CD1-CD2 3.89Å; L1141-F1159 HydrophobicContact CD1-CE2 4.03Å; L1141-F1159 HydrophobicContact CD1-CG 4.38Å; L1141-F1159 HydrophobicContact CD2-CD1 4.01Å; L1141-F1159 HydrophobicContact CD2-CD2 3.81Å; L1141-F1159 HydrophobicContact CD2-CE1 3.5Å; L1141-F1159 VanDerWaalsContact CD2-CE1 3.5Å; L1141-F1159 HydrophobicContact CD2-CE2 3.3Å; L1141-F1159 HydrophobicContact CD2-CG 4.14Å; L1141-F1159 HydrophobicContact CD2-CZ 3.1Å; L1141-F1159 HydrophobicContact CG-CE2 4.36Å; L1141-F1159 HydrophobicContact CG-CZ 4.48Å |
| 1142 | E | 91.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 29% | 0.29 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -65.8 | -16.7 | 171.1 | 98.3 | -174.3 | 126.9 | 0 | 0 | 119.2 | R827 D828 K830 G1145 Y1146 | R827-E1142 HydrophobicContact CB-CG 4.32Å; D828-E1142 VanDerWaalsContact C-CB 3.49Å; D828-E1142 VanDerWaalsContact CA-N 3.29Å; D828-E1142 HydrophobicContact CB-CB 3.91Å; D828-E1142 HydrophobicContact CB-CG 3.69Å; D828-E1142 VanDerWaalsContact CG-N 3.35Å; D828-E1142 WeakPolarHBondContact O-CB 3.28Å; D828-E1142 VanDerWaalsContact O-CD 3.26Å; D828-E1142 WeakPolarHBondContact O-CG 3.17Å; D828-E1142 VanDerWaalsContact O-OE1 3.11Å; D828-E1142 PolarHBondContact OD2-N 3.13Å; D828-E1142 VanDerWaalsContact OD2-N 3.07Å; K830-E1142 HydrophobicContact CB-CB 4.05Å; K830-E1142 HydrophobicContact CD-CB 4.15Å; K830-E1142 VanDerWaalsContact CD-OE2 3.25Å; K830-E1142 WeakPolarHBondContact CD-OE2 3.17Å; K830-E1142 VanDerWaalsContact CE-CD 3.47Å; K830-E1142 WeakPolarHBondContact CE-OE1 3.4Å; K830-E1142 VanDerWaalsContact CE-OE2 3.28Å; K830-E1142 WeakPolarHBondContact CE-OE2 3.46Å; K830-E1142 HydrophobicContact CG-CB 4.05Å; K830-E1142 IonicContact NZ-OE1 3.71Å; K830-E1142 PolarHBondContact NZ-OE1 3.37Å; K830-E1142 IonicContact NZ-OE2 3.54Å; K830-E1142 PolarHBondContact NZ-OE2 3.03Å; E1142-G1145 VanDerWaalsContact C-N 3.28Å; E1142-G1145 CarbonylContact O-C 3.38Å; E1142-G1145 WeakPolarHBondContact O-CA 3.35Å; E1142-G1145 PolarHBondContact O-N 3.34Å; E1142-Y1146 VanDerWaalsContact C-N 3.3Å; E1142-Y1146 PolarHBondContact O-N 3.27Å |
| 1143 | Y | 89.8 | Confident | 90.7 | Very high | 123 Ų | 123 | 43.2 Ų | 43.2 | 48% | 0.482 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -91.9 | -25.8 | 169.2 | 139.1 | -82 | 0 | 0 | 0 | 108.9 | D828 R1001 L1141 G1145 | D828-Y1143 VanDerWaalsContact CG-N 3.33Å; D828-Y1143 VanDerWaalsContact OD2-CA 3.3Å; D828-Y1143 WeakPolarHBondContact OD2-CA 3.43Å; D828-Y1143 WeakPolarHBondContact OD2-CB 3.44Å; D828-Y1143 PolarHBondContact OD2-N 2.92Å; R1001-Y1143 PolarHBondContact NH1-OH 3.1Å; L1141-Y1143 PolarHBondContact O-N 2.96Å; Y1143-G1145 PolarHBondContact O-N 3.31Å |
| 1144 | L | 90.7 | Very high | 90.6 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -64.2 | -12.3 | 151.8 | -42.9 | 173.6 | 0 | 0 | 0 | 112.3 | D828 L994 L1024 T1140 L1141 Y1146 | D828-L1144 PolarHBondContact OD2-N 3.34Å; L994-L1144 HydrophobicContact CD2-CD1 4.23Å; L1024-L1144 HydrophobicContact CD1-CB 3.83Å; L1024-L1144 HydrophobicContact CD1-CD1 3.52Å; L1024-L1144 HydrophobicContact CD1-CD2 4.48Å; L1024-L1144 HydrophobicContact CD1-CG 4.11Å; T1140-L1144 WeakPolarHBondContact O-CD1 3.33Å; L1141-L1144 HydrophobicContact CB-CB 4.12Å; L1141-L1144 HydrophobicContact CB-CD1 3.92Å; L1141-L1144 HydrophobicContact CB-CG 4.35Å; L1141-L1144 HydrophobicContact CD2-CD1 3.72Å; L1141-L1144 HydrophobicContact CG-CD1 4.4Å; L1141-L1144 CarbonylContact O-C 3.43Å; L1141-L1144 VanDerWaalsContact O-CA 3.27Å; L1141-L1144 WeakPolarHBondContact O-CA 3.48Å; L1141-L1144 WeakPolarHBondContact O-CB 3.38Å; L1141-L1144 PolarHBondContact O-N 2.69Å; L1144-Y1146 VanDerWaalsContact C-CZ 3.4Å; L1144-Y1146 HydrophobicContact CB-CE1 4.19Å; L1144-Y1146 WeakPolarHBondContact O-CE2 3.5Å; L1144-Y1146 PolarHBondContact O-OH 3.08Å |
| 1145 | G | 87.2 | Confident | 90.6 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 46% | 0.464 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 143.4 | 22 | 152.1 | 0 | 0 | 0 | 0 | 0 | 122 | L1141 E1142 Y1143 | L1141-G1145 PolarHBondContact O-N 2.88Å; E1142-G1145 VanDerWaalsContact C-N 3.28Å; E1142-G1145 CarbonylContact O-C 3.38Å; E1142-G1145 WeakPolarHBondContact O-CA 3.35Å; E1142-G1145 PolarHBondContact O-N 3.34Å; Y1143-G1145 PolarHBondContact O-N 3.31Å |
| 1146 | Y | 89.9 | Confident | 90.7 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | trans | -86.1 | 172.8 | -141.4 | 23.5 | 95 | 0 | 0 | 0 | 124.4 | T831 F1022 T1023 L1024 L1141 E1142 L1144 | T831-Y1146 HydrophobicContact CG2-CD1 4.46Å; T831-Y1146 HydrophobicContact CG2-CD2 3.95Å; T831-Y1146 HydrophobicContact CG2-CG 3.9Å; T831-Y1146 WeakPolarHBondContact OG1-CB 3.4Å; F1022-Y1146 WeakPolarHBondContact O-CE2 3.41Å; F1022-Y1146 PolarHBondContact O-OH 3.06Å; T1023-Y1146 WeakPolarHBondContact CA-OH 3.33Å; T1023-Y1146 HydrophobicContact CG2-CD2 3.83Å; T1023-Y1146 HydrophobicContact CG2-CE2 3.6Å; L1024-Y1146 WeakPolarHBondContact CG-OH 3.39Å; L1024-Y1146 PolarHBondContact N-OH 2.67Å; L1141-Y1146 HydrophobicContact CB-CD1 3.94Å; L1141-Y1146 HydrophobicContact CB-CE1 3.67Å; L1141-Y1146 HydrophobicContact CD1-CE1 4.43Å; L1141-Y1146 WeakPolarHBondContact O-CD1 3.17Å; L1141-Y1146 WeakPolarHBondContact O-CE1 3.33Å; E1142-Y1146 VanDerWaalsContact C-N 3.3Å; E1142-Y1146 PolarHBondContact O-N 3.27Å; L1144-Y1146 VanDerWaalsContact C-CZ 3.4Å; L1144-Y1146 HydrophobicContact CB-CE1 4.19Å; L1144-Y1146 WeakPolarHBondContact O-CE2 3.5Å; L1144-Y1146 PolarHBondContact O-OH 3.08Å | ||
| 1147 | S | 88.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 45 Ų | 45 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | trans | -152.6 | 125.9 | 168.1 | 63.5 | 0 | 0 | 0 | 0 | 115.9 | K830 T831 A1149 R1150 | K830-S1147 CarbonylContact O-C 3.47Å; T831-S1147 PolarHBondContact OG1-N 3.33Å; T831-S1147 VanDerWaalsContact OG1-N 3.11Å; T831-S1147 PolarHBondContact OG1-O 3.15Å; T831-S1147 PolarHBondContact OG1-OG 2.88Å; S1147-A1149 PolarHBondContact O-N 3.05Å; S1147-R1150 PolarHBondContact O-N 3.32Å | ||
| 1148 | P | 88.9 | Confident | 90.6 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 57% | 0.571 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -49.6 | -43.1 | -149.6 | -10.6 | -4.2 | 0 | 0 | 0 | 123.5 | K830 R1150 A1151 | K830-P1148 HydrophobicContact CD-CB 4.07Å; K830-P1148 HydrophobicContact CD-CG 4.17Å; P1148-R1150 PolarHBondContact O-N 3.04Å; P1148-A1151 WeakPolarHBondContact O-CB 3.27Å; P1148-A1151 PolarHBondContact O-N 2.76Å |
| 1149 | A | 88.9 | Confident | 90.7 | Very high | 77 Ų | 77 | 45 Ų | 45 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60.1 | -39.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1147 A1151 S1152 | S1147-A1149 PolarHBondContact O-N 3.05Å; A1149-A1151 PolarHBondContact O-N 3.19Å; A1149-S1152 PolarHBondContact O-N 2.92Å |
| 1150 | R | 88.4 | Confident | 90.8 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -68 | 2.7 | 179.4 | -155.1 | -168.8 | 176.2 | -139.6 | -14.4 | 111 | K830 T831 I832 A833 N834 D1025 S1147 P1148 T1154 | K830-R1150 VanDerWaalsContact C-C 3.48Å; K830-R1150 CarbonylContact C-O 3.59Å; K830-R1150 CarbonylContact O-C 3.54Å; K830-R1150 WeakPolarHBondContact O-CA 3.14Å; K830-R1150 WeakPolarHBondContact O-CB 3.42Å; T831-R1150 VanDerWaalsContact C-CD 3.48Å; T831-R1150 CarbonylContact C-O 3.53Å; T831-R1150 VanDerWaalsContact CA-CB 3.5Å; T831-R1150 VanDerWaalsContact CA-CG 3.49Å; T831-R1150 VanDerWaalsContact CA-O 3.29Å; T831-R1150 WeakPolarHBondContact CA-O 3.49Å; T831-R1150 HydrophobicContact CG2-CB 4.3Å; T831-R1150 HydrophobicContact CG2-CG 4.1Å; T831-R1150 PolarHBondContact N-O 2.78Å; T831-R1150 PolarHBondContact O-NH1 3.43Å; I832-R1150 CarbonylContact C-O 3.5Å; I832-R1150 VanDerWaalsContact CA-CZ 3.46Å; I832-R1150 PolarHBondContact N-O 3.03Å; I832-R1150 VanDerWaalsContact O-CZ 3.27Å; I832-R1150 PolarHBondContact O-NE 3.31Å; I832-R1150 PolarHBondContact O-NH2 2.99Å; A833-R1150 WeakPolarHBondContact CB-O 3.33Å; A833-R1150 PolarHBondContact N-O 2.96Å; N834-R1150 HydrophobicContact CB-CB 4.2Å; N834-R1150 HydrophobicContact CB-CG 3.58Å; N834-R1150 VanDerWaalsContact N-CG 3.29Å; N834-R1150 WeakPolarHBondContact OD1-CA 3.01Å; N834-R1150 VanDerWaalsContact OD1-CB 3.27Å; N834-R1150 WeakPolarHBondContact OD1-CB 3.34Å; N834-R1150 WeakPolarHBondContact OD1-CG 3.33Å; N834-R1150 PolarHBondContact OD1-N 3.32Å; D1025-R1150 IonicContact OD1-NH2 3.25Å; D1025-R1150 IonicContact OD2-CZ 3.97Å; D1025-R1150 IonicContact OD2-NH1 3.17Å; D1025-R1150 PolarHBondContact OD2-NH1 3.14Å; D1025-R1150 IonicContact OD2-NH2 2.82Å; D1025-R1150 PolarHBondContact OD2-NH2 2.98Å; S1147-R1150 PolarHBondContact O-N 3.32Å; P1148-R1150 PolarHBondContact O-N 3.04Å; R1150-T1154 PolarHBondContact O-OG1 2.85Å |
| 1151 | A | 89.3 | Confident | 90.9 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -73.2 | -52.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | V829 K830 P1148 A1149 S1153 T1154 | V829-A1151 HydrophobicContact CG1-CB 3.29Å; K830-A1151 HydrophobicContact CB-CB 4.27Å; K830-A1151 HydrophobicContact CG-CB 4.11Å; K830-A1151 PolarHBondContact O-N 3.08Å; P1148-A1151 WeakPolarHBondContact O-CB 3.27Å; P1148-A1151 PolarHBondContact O-N 2.76Å; A1149-A1151 PolarHBondContact O-N 3.19Å; A1151-S1153 PolarHBondContact O-N 3.33Å; A1151-T1154 WeakPolarHBondContact O-CB 3.29Å; A1151-T1154 PolarHBondContact O-N 3.33Å; A1151-T1154 PolarHBondContact O-OG1 3.38Å |
| 1152 | S | 88.3 | Confident | 90.9 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -6.7 | -143 | -59 | 0 | 0 | 0 | 0 | 115.6 | A1149 | A1149-S1152 PolarHBondContact O-N 2.92Š|
| 1153 | S | 89.8 | Confident | 91.1 | Very high | 89 Ų | 89 | 43.6 Ų | 43.6 | 62% | 0.622 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 23 | 163.4 | 96.2 | 0 | 0 | 0 | 0 | 113.1 | A833 A1151 S1155 | A833-S1153 WeakPolarHBondContact CA-OG 3.49Å; A833-S1153 WeakPolarHBondContact CB-OG 3.42Å; A1151-S1153 PolarHBondContact O-N 3.33Å; S1153-S1155 PolarHBondContact O-N 2.84Å |
| 1154 | T | 91 | Very high | 91.3 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | trans | -71.6 | 103.9 | 165.4 | -49.5 | 0 | 0 | 0 | 0 | 107.9 | I832 F1137 L1141 R1150 A1151 F1159 | I832-T1154 HydrophobicContact CB-CG2 3.78Å; I832-T1154 WeakPolarHBondContact CB-OG1 3.48Å; I832-T1154 HydrophobicContact CD1-CG2 3.72Å; I832-T1154 HydrophobicContact CG1-CG2 4.31Å; I832-T1154 HydrophobicContact CG2-CG2 3.95Å; F1137-T1154 HydrophobicContact CE1-CG2 4.01Å; F1137-T1154 HydrophobicContact CZ-CG2 4.04Å; L1141-T1154 HydrophobicContact CD1-CG2 4.43Å; R1150-T1154 PolarHBondContact O-OG1 2.85Å; A1151-T1154 WeakPolarHBondContact O-CB 3.29Å; A1151-T1154 PolarHBondContact O-N 3.33Å; A1151-T1154 PolarHBondContact O-OG1 3.38Å; T1154-F1159 HydrophobicContact CG2-CB 4.15Å | ||
| 1155 | S | 92 | Very high | 91.5 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | trans | -72.1 | 138.6 | 168.5 | 74.2 | 0 | 0 | 0 | 0 | 109.4 | S1153 G1157 Y1158 F1159 | S1153-S1155 PolarHBondContact O-N 2.84Å; S1155-G1157 VanDerWaalsContact C-N 3.25Å; S1155-G1157 PolarHBondContact O-N 3.37Å; S1155-Y1158 PolarHBondContact O-N 3.49Å; S1155-Y1158 VanDerWaalsContact OG-CB 3.29Å; S1155-Y1158 WeakPolarHBondContact OG-CB 3.33Å; S1155-Y1158 PolarHBondContact OG-N 3.43Å; S1155-F1159 PolarHBondContact O-N 3.4Å | ||
| 1156 | V | 93.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -44.8 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | L987 W1075 F1137 Y1158 F1159 C1160 | L987-V1156 HydrophobicContact CD1-CG1 3.57Å; L987-V1156 HydrophobicContact CD1-CG2 4.49Å; L987-V1156 HydrophobicContact CD2-CG1 4.11Å; L987-V1156 HydrophobicContact CD2-CG2 3.94Å; L987-V1156 HydrophobicContact CG-CG1 4.41Å; W1075-V1156 HydrophobicContact CB-CB 4.46Å; W1075-V1156 HydrophobicContact CD2-CB 3.62Å; W1075-V1156 HydrophobicContact CD2-CG1 3.79Å; W1075-V1156 HydrophobicContact CD2-CG2 4.21Å; W1075-V1156 VanDerWaalsContact CE2-CG1 3.45Å; W1075-V1156 HydrophobicContact CE3-CB 4.1Å; W1075-V1156 HydrophobicContact CE3-CG1 4.34Å; W1075-V1156 HydrophobicContact CE3-CG2 4.16Å; W1075-V1156 HydrophobicContact CG-CB 3.75Å; W1075-V1156 HydrophobicContact CG-CG1 4.23Å; W1075-V1156 HydrophobicContact CH2-CG1 4.39Å; W1075-V1156 HydrophobicContact CZ2-CG1 3.81Å; F1137-V1156 HydrophobicContact CD1-CG2 3.62Å; F1137-V1156 HydrophobicContact CD2-CG2 4.29Å; F1137-V1156 HydrophobicContact CE1-CB 4.41Å; F1137-V1156 HydrophobicContact CE1-CG2 3.7Å; F1137-V1156 HydrophobicContact CE2-CG2 4.36Å; F1137-V1156 HydrophobicContact CG-CG2 3.92Å; F1137-V1156 HydrophobicContact CZ-CB 4.4Å; F1137-V1156 HydrophobicContact CZ-CG2 4.08Å; V1156-Y1158 PolarHBondContact O-N 3.47Å; V1156-F1159 PolarHBondContact O-N 2.84Å; V1156-C1160 WeakPolarHBondContact O-CB 3.46Å; V1156-C1160 PolarHBondContact O-N 3.29Å; V1156-C1160 PolarHBondContact O-SG 3.49Å; V1156-C1160 VanDerWaalsContact O-SG 3.36Å |
| 1157 | G | 92.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1075 S1155 R1161 | W1075-G1157 VanDerWaalsContact CD1-N 3.27Å; S1155-G1157 VanDerWaalsContact C-N 3.25Å; S1155-G1157 PolarHBondContact O-N 3.37Å; G1157-R1161 WeakPolarHBondContact O-CB 3.25Å; G1157-R1161 PolarHBondContact O-N 3.17Å |
| 1158 | Y | 92.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 24% | 0.239 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.8 | 174.3 | -96 | 0 | 0 | 0 | 111.9 | I832 S1155 V1156 R1161 I1162 | I832-Y1158 HydrophobicContact CD1-CD1 4.03Å; I832-Y1158 HydrophobicContact CD1-CE1 3.99Å; I832-Y1158 HydrophobicContact CG1-CD1 4.49Å; I832-Y1158 HydrophobicContact CG1-CE1 4.11Å; I832-Y1158 HydrophobicContact CG2-CD1 3.73Å; I832-Y1158 HydrophobicContact CG2-CE1 3.69Å; S1155-Y1158 PolarHBondContact O-N 3.49Å; S1155-Y1158 VanDerWaalsContact OG-CB 3.29Å; S1155-Y1158 WeakPolarHBondContact OG-CB 3.33Å; S1155-Y1158 PolarHBondContact OG-N 3.43Å; V1156-Y1158 PolarHBondContact O-N 3.47Å; Y1158-R1161 PolarHBondContact O-N 2.73Å; Y1158-I1162 HydrophobicContact CD1-CD1 3.94Å; Y1158-I1162 HydrophobicContact CE1-CD1 3.42Å; Y1158-I1162 VanDerWaalsContact CE1-CD1 3.42Å; Y1158-I1162 HydrophobicContact CE2-CD1 4.31Å; Y1158-I1162 WeakPolarHBondContact O-CG1 3.26Å; Y1158-I1162 PolarHBondContact O-N 3.18Å |
| 1159 | F | 94.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.3 | -48.8 | 178.5 | 171.5 | -106.2 | 0 | 0 | 0 | 112.4 | I832 L994 L1024 L1067 F1137 L1141 T1154 S1155 V1156 R1161 I1162 L1163 | I832-F1159 HydrophobicContact CD1-CB 4.1Å; I832-F1159 HydrophobicContact CD1-CD2 3.95Å; I832-F1159 HydrophobicContact CD1-CG 4.47Å; L994-F1159 HydrophobicContact CD2-CE1 3.71Å; L994-F1159 HydrophobicContact CD2-CZ 3.66Å; L1024-F1159 HydrophobicContact CD1-CE2 3.83Å; L1024-F1159 HydrophobicContact CD1-CZ 4.32Å; L1067-F1159 HydrophobicContact CD1-CE1 4.39Å; F1137-F1159 AromaticContact CE2-CD1 3.68Å; F1137-F1159 HydrophobicContact CE2-CD1 3.68Å; F1137-F1159 HydrophobicContact CE2-CE1 4.26Å; F1137-F1159 HydrophobicContact CE2-CG 4.42Å; F1137-F1159 HydrophobicContact CZ-CB 4.1Å; F1137-F1159 AromaticContact CZ-CD1 3.92Å; F1137-F1159 HydrophobicContact CZ-CD1 3.92Å; F1137-F1159 HydrophobicContact CZ-CG 4.23Å; L1141-F1159 HydrophobicContact CD1-CD2 3.89Å; L1141-F1159 HydrophobicContact CD1-CE2 4.03Å; L1141-F1159 HydrophobicContact CD1-CG 4.38Å; L1141-F1159 HydrophobicContact CD2-CD1 4.01Å; L1141-F1159 HydrophobicContact CD2-CD2 3.81Å; L1141-F1159 HydrophobicContact CD2-CE1 3.5Å; L1141-F1159 VanDerWaalsContact CD2-CE1 3.5Å; L1141-F1159 HydrophobicContact CD2-CE2 3.3Å; L1141-F1159 HydrophobicContact CD2-CG 4.14Å; L1141-F1159 HydrophobicContact CD2-CZ 3.1Å; L1141-F1159 HydrophobicContact CG-CE2 4.36Å; L1141-F1159 HydrophobicContact CG-CZ 4.48Å; T1154-F1159 HydrophobicContact CG2-CB 4.15Å; S1155-F1159 PolarHBondContact O-N 3.4Å; V1156-F1159 PolarHBondContact O-N 2.84Å; F1159-R1161 PolarHBondContact O-N 3.05Å; F1159-I1162 PolarHBondContact O-N 2.66Å; F1159-L1163 HydrophobicContact CE1-CD1 3.91Å; F1159-L1163 HydrophobicContact CE2-CD1 3.75Å; F1159-L1163 HydrophobicContact CE2-CG 4.22Å; F1159-L1163 HydrophobicContact CZ-CD1 3.24Å; F1159-L1163 HydrophobicContact CZ-CG 4.17Å; F1159-L1163 PolarHBondContact O-N 3.06Å |
| 1160 | C | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | 177.4 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L1067 C1070 H1071 V1156 A1164 | L1067-C1160 HydrophobicContact CD2-CB 4.42Å; L1067-C1160 WeakPolarHBondContact CD2-O 3.42Å; L1067-C1160 HydrophobicContact CG-CB 4.19Å; C1070-C1160 HydrophobicContact CB-CB 4.11Å; H1071-C1160 HydrophobicContact CB-CB 4.14Å; V1156-C1160 WeakPolarHBondContact O-CB 3.46Å; V1156-C1160 PolarHBondContact O-N 3.29Å; V1156-C1160 PolarHBondContact O-SG 3.49Å; V1156-C1160 VanDerWaalsContact O-SG 3.36Å; C1160-A1164 WeakPolarHBondContact O-CB 3.28Å; C1160-A1164 PolarHBondContact O-N 3.08Å |
| 1161 | R | 94 | Very high | 93.3 | Very high | 81 Ų | 81 | 34 Ų | 34 | 31% | 0.306 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.9 | -52.2 | 173.2 | -176.9 | -174.1 | 74 | 78.7 | 14 | 111.9 | G1157 Y1158 F1159 L1163 A1164 E1165 | G1157-R1161 WeakPolarHBondContact O-CB 3.25Å; G1157-R1161 PolarHBondContact O-N 3.17Å; Y1158-R1161 PolarHBondContact O-N 2.73Å; F1159-R1161 PolarHBondContact O-N 3.05Å; R1161-L1163 VanDerWaalsContact C-N 3.31Å; R1161-L1163 PolarHBondContact O-N 2.86Å; R1161-A1164 PolarHBondContact O-N 3.12Å; R1161-E1165 VanDerWaalsContact CD-OE1 3.3Å; R1161-E1165 WeakPolarHBondContact CD-OE1 3.5Å; R1161-E1165 HydrophobicContact CG-CG 4.19Å; R1161-E1165 WeakPolarHBondContact CG-OE1 3.45Å; R1161-E1165 IonicContact CZ-OE1 2.67Å; R1161-E1165 IonicContact CZ-OE2 3.3Å; R1161-E1165 IonicContact NE-OE1 3.39Å; R1161-E1165 IonicContact NH1-OE1 3.06Å; R1161-E1165 PolarHBondContact NH1-OE1 3.27Å; R1161-E1165 IonicContact NH1-OE2 3.88Å; R1161-E1165 PolarHBondContact NH1-OE2 3.2Å; R1161-E1165 WeakPolarHBondContact O-CB 3.45Å; R1161-E1165 WeakPolarHBondContact O-CG 3.23Å; R1161-E1165 PolarHBondContact O-N 3.18Å |
| 1162 | I | 93.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.2 | -46.7 | -179.1 | -66.1 | 162.1 | 0 | 0 | 0 | 111 | L1024 Y1158 F1159 F1166 | L1024-I1162 WeakPolarHBondContact O-CG2 3.34Å; Y1158-I1162 HydrophobicContact CD1-CD1 3.94Å; Y1158-I1162 HydrophobicContact CE1-CD1 3.42Å; Y1158-I1162 VanDerWaalsContact CE1-CD1 3.42Å; Y1158-I1162 HydrophobicContact CE2-CD1 4.31Å; Y1158-I1162 WeakPolarHBondContact O-CG1 3.26Å; Y1158-I1162 PolarHBondContact O-N 3.18Å; F1159-I1162 PolarHBondContact O-N 2.66Å; I1162-F1166 WeakPolarHBondContact O-CB 3.25Å; I1162-F1166 PolarHBondContact O-N 3.13Å |
| 1163 | L | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.2 | -32.3 | -179.7 | -80.8 | -178.5 | 0 | 0 | 0 | 113.6 | L994 L1000 L1027 L1067 F1159 R1161 A1167 | L994-L1163 HydrophobicContact CD1-CD1 3.68Å; L994-L1163 HydrophobicContact CD2-CD1 4.32Å; L1000-L1163 HydrophobicContact CD1-CD2 4.22Å; L1000-L1163 HydrophobicContact CD2-CD2 4.47Å; L1027-L1163 HydrophobicContact CD1-CD2 3.53Å; L1067-L1163 HydrophobicContact CD1-CB 4.01Å; L1067-L1163 HydrophobicContact CD1-CD1 3.75Å; L1067-L1163 HydrophobicContact CD2-CB 3.69Å; F1159-L1163 HydrophobicContact CE1-CD1 3.91Å; F1159-L1163 HydrophobicContact CE2-CD1 3.75Å; F1159-L1163 HydrophobicContact CE2-CG 4.22Å; F1159-L1163 HydrophobicContact CZ-CD1 3.24Å; F1159-L1163 HydrophobicContact CZ-CG 4.17Å; F1159-L1163 PolarHBondContact O-N 3.06Å; R1161-L1163 VanDerWaalsContact C-N 3.31Å; R1161-L1163 PolarHBondContact O-N 2.86Å; L1163-A1167 WeakPolarHBondContact O-CB 3.16Å; L1163-A1167 PolarHBondContact O-N 3.36Å |
| 1164 | A | 94.7 | Very high | 94 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.3 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1067 H1071 C1160 R1161 A1167 L1168 | L1067-A1164 HydrophobicContact CD2-CB 4.14Å; H1071-A1164 HydrophobicContact CB-CB 4.01Å; C1160-A1164 WeakPolarHBondContact O-CB 3.28Å; C1160-A1164 PolarHBondContact O-N 3.08Å; R1161-A1164 PolarHBondContact O-N 3.12Å; A1164-A1167 PolarHBondContact O-N 3.25Å; A1164-L1168 PolarHBondContact O-N 2.95Å; A1164-L1168 VanDerWaalsContact O-N 3.12Å |
| 1165 | E | 94.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 33.5 Ų | 33.5 | 35% | 0.346 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.8 | -53.9 | 172.8 | -72.3 | 170.2 | 179.7 | 0 | 0 | 110 | R1161 A1167 L1168 E1169 | R1161-E1165 VanDerWaalsContact CD-OE1 3.3Å; R1161-E1165 WeakPolarHBondContact CD-OE1 3.5Å; R1161-E1165 HydrophobicContact CG-CG 4.19Å; R1161-E1165 WeakPolarHBondContact CG-OE1 3.45Å; R1161-E1165 IonicContact CZ-OE1 2.67Å; R1161-E1165 IonicContact CZ-OE2 3.3Å; R1161-E1165 IonicContact NE-OE1 3.39Å; R1161-E1165 IonicContact NH1-OE1 3.06Å; R1161-E1165 PolarHBondContact NH1-OE1 3.27Å; R1161-E1165 IonicContact NH1-OE2 3.88Å; R1161-E1165 PolarHBondContact NH1-OE2 3.2Å; R1161-E1165 WeakPolarHBondContact O-CB 3.45Å; R1161-E1165 WeakPolarHBondContact O-CG 3.23Å; R1161-E1165 PolarHBondContact O-N 3.18Å; E1165-A1167 VanDerWaalsContact C-N 3.32Å; E1165-A1167 PolarHBondContact O-N 3.01Å; E1165-L1168 PolarHBondContact O-N 2.83Å; E1165-L1168 VanDerWaalsContact O-N 3.16Å; E1165-E1169 WeakPolarHBondContact O-CG 3.22Å; E1165-E1169 PolarHBondContact O-N 2.88Å |
| 1166 | F | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.2 | -40.7 | 177.6 | 173.4 | -106.1 | 0 | 0 | 0 | 113.1 | I1003 L1027 L1030 L1043 L1060 I1162 L1168 E1169 Y1170 | I1003-F1166 HydrophobicContact CD1-CE1 4.15Å; I1003-F1166 HydrophobicContact CD1-CZ 4.28Å; I1003-F1166 HydrophobicContact CG2-CE1 4.01Å; I1003-F1166 HydrophobicContact CG2-CZ 3.68Å; L1027-F1166 HydrophobicContact CB-CB 4.07Å; L1027-F1166 HydrophobicContact CB-CD1 4.3Å; L1027-F1166 HydrophobicContact CB-CD2 3.85Å; L1027-F1166 HydrophobicContact CB-CE2 4.47Å; L1027-F1166 HydrophobicContact CB-CG 3.76Å; L1027-F1166 HydrophobicContact CD1-CD1 3.77Å; L1027-F1166 HydrophobicContact CD1-CE1 4.18Å; L1027-F1166 HydrophobicContact CD1-CG 4.09Å; L1027-F1166 HydrophobicContact CD2-CE1 4.3Å; L1027-F1166 HydrophobicContact CD2-CE2 4.33Å; L1027-F1166 HydrophobicContact CD2-CZ 4.23Å; L1027-F1166 HydrophobicContact CG-CD1 4.43Å; L1027-F1166 HydrophobicContact CG-CG 4.38Å; L1030-F1166 HydrophobicContact CD1-CD2 4.19Å; L1030-F1166 HydrophobicContact CD1-CE2 3.56Å; L1030-F1166 HydrophobicContact CD1-CZ 4.23Å; L1043-F1166 HydrophobicContact CD1-CE2 3.65Å; L1043-F1166 HydrophobicContact CD1-CZ 4.18Å; L1060-F1166 HydrophobicContact CD2-CD1 3.78Å; L1060-F1166 HydrophobicContact CD2-CE1 3.52Å; I1162-F1166 WeakPolarHBondContact O-CB 3.25Å; I1162-F1166 PolarHBondContact O-N 3.13Å; F1166-L1168 VanDerWaalsContact C-N 3.33Å; F1166-L1168 PolarHBondContact O-N 2.72Å; F1166-E1169 PolarHBondContact O-N 3.03Å; F1166-Y1170 HydrophobicContact CZ-CD2 4.26Å; F1166-Y1170 HydrophobicContact CZ-CG 4.42Å; F1166-Y1170 VanDerWaalsContact O-CB 3.29Å; F1166-Y1170 WeakPolarHBondContact O-CB 3.37Å; F1166-Y1170 PolarHBondContact O-N 3.48Å |
| 1167 | A | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1060 H1061 L1163 A1164 E1165 R1171 | L1060-A1167 HydrophobicContact CB-CB 4.28Å; L1060-A1167 HydrophobicContact CD2-CB 4.08Å; L1060-A1167 HydrophobicContact CG-CB 3.88Å; H1061-A1167 HydrophobicContact CB-CB 4.14Å; L1163-A1167 WeakPolarHBondContact O-CB 3.16Å; L1163-A1167 PolarHBondContact O-N 3.36Å; A1164-A1167 PolarHBondContact O-N 3.25Å; E1165-A1167 VanDerWaalsContact C-N 3.32Å; E1165-A1167 PolarHBondContact O-N 3.01Å; A1167-R1171 VanDerWaalsContact O-CB 3.27Å; A1167-R1171 WeakPolarHBondContact O-CB 3.4Å; A1167-R1171 PolarHBondContact O-N 3.27Å |
| 1168 | L | 94.3 | Very high | 93.8 | Very high | 85 Ų | 85 | 39.3 Ų | 39.3 | 45% | 0.445 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 175.3 | -175.5 | 61 | 0 | 0 | 0 | 112.2 | A1164 E1165 F1166 T1172 | A1164-L1168 PolarHBondContact O-N 2.95Å; A1164-L1168 VanDerWaalsContact O-N 3.12Å; E1165-L1168 PolarHBondContact O-N 2.83Å; E1165-L1168 VanDerWaalsContact O-N 3.16Å; F1166-L1168 VanDerWaalsContact C-N 3.33Å; F1166-L1168 PolarHBondContact O-N 2.72Å; L1168-T1172 WeakPolarHBondContact O-CG2 3.31Å; L1168-T1172 PolarHBondContact O-N 3.31Å; L1168-T1172 PolarHBondContact O-OG1 3.49Å |
| 1169 | E | 94.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 175.7 | -67 | -174.6 | 130.1 | 0 | 0 | 112.2 | P1031 L1043 E1165 F1166 T1172 T1173 | P1031-E1169 VanDerWaalsContact CG-OE1 3.26Å; P1031-E1169 WeakPolarHBondContact CG-OE1 3.34Å; P1031-E1169 WeakPolarHBondContact CG-OE2 3.47Å; L1043-E1169 HydrophobicContact CD2-CB 3.76Å; E1165-E1169 WeakPolarHBondContact O-CG 3.22Å; E1165-E1169 PolarHBondContact O-N 2.88Å; F1166-E1169 PolarHBondContact O-N 3.03Å; E1169-T1172 PolarHBondContact O-OG1 2.86Å; E1169-T1173 VanDerWaalsContact O-CB 3.24Å; E1169-T1173 WeakPolarHBondContact O-CB 3.31Å; E1169-T1173 PolarHBondContact O-N 2.99Å; E1169-T1173 PolarHBondContact O-OG1 2.71Å |
| 1170 | Y | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 173.9 | 177.9 | -96.7 | 0 | 0 | 0 | 110.4 | T999 I1003 L1043 C1047 V1050 L1060 F1166 T1173 R1174 | T999-Y1170 HydrophobicContact CG2-CE1 3.97Å; I1003-Y1170 HydrophobicContact CD1-CD1 4.05Å; I1003-Y1170 HydrophobicContact CD1-CD2 3.65Å; I1003-Y1170 HydrophobicContact CD1-CE1 3.91Å; I1003-Y1170 HydrophobicContact CD1-CE2 3.5Å; I1003-Y1170 VanDerWaalsContact CD1-CE2 3.5Å; I1003-Y1170 HydrophobicContact CD1-CG 3.93Å; I1003-Y1170 HydrophobicContact CG1-CD2 4.18Å; I1003-Y1170 HydrophobicContact CG1-CE2 3.69Å; L1043-Y1170 HydrophobicContact CD1-CD2 4Å; C1047-Y1170 HydrophobicContact CB-CD2 4.22Å; C1047-Y1170 HydrophobicContact CB-CE2 3.8Å; C1047-Y1170 VanDerWaalsContact SG-CE2 3.58Å; V1050-Y1170 WeakPolarHBondContact CG1-OH 3.46Å; L1060-Y1170 HydrophobicContact CB-CD1 3.81Å; L1060-Y1170 HydrophobicContact CB-CE1 4.33Å; F1166-Y1170 HydrophobicContact CZ-CD2 4.26Å; F1166-Y1170 HydrophobicContact CZ-CG 4.42Å; F1166-Y1170 VanDerWaalsContact O-CB 3.29Å; F1166-Y1170 WeakPolarHBondContact O-CB 3.37Å; F1166-Y1170 PolarHBondContact O-N 3.48Å; Y1170-T1173 PolarHBondContact O-N 3.06Å; Y1170-R1174 VanDerWaalsContact O-CB 3.29Å; Y1170-R1174 WeakPolarHBondContact O-CB 3.44Å; Y1170-R1174 PolarHBondContact O-N 3.31Å |
| 1171 | R | 94.8 | Very high | 92.6 | Very high | 49 Ų | 49 | 46 Ų | 46 | 19% | 0.185 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.4 | -58 | 175.8 | -178.1 | -173.3 | 156.6 | 179 | -2.1 | 111.7 | M425 D1059 H1061 A1167 T1173 R1174 E1175 | M425-R1171 PolarHBondContact SD-NH2 3.46Å; D1059-R1171 VanDerWaalsContact OD1-CB 3.24Å; D1059-R1171 WeakPolarHBondContact OD1-CB 3.24Å; D1059-R1171 VanDerWaalsContact OD1-CG 3.24Å; D1059-R1171 WeakPolarHBondContact OD1-CG 3.42Å; H1061-R1171 HydrophobicContact CB-CB 4.28Å; A1167-R1171 VanDerWaalsContact O-CB 3.27Å; A1167-R1171 WeakPolarHBondContact O-CB 3.4Å; A1167-R1171 PolarHBondContact O-N 3.27Å; R1171-T1173 PolarHBondContact O-N 3.33Å; R1171-R1174 WeakPolarHBondContact O-CB 3.47Å; R1171-R1174 PolarHBondContact O-N 3.22Å; R1171-R1174 VanDerWaalsContact O-N 3.08Å; R1171-E1175 HydrophobicContact CG-CG 4.49Å; R1171-E1175 IonicContact CZ-OE1 3.63Å; R1171-E1175 VanDerWaalsContact CZ-OE1 3.22Å; R1171-E1175 IonicContact NE-OE1 3.84Å; R1171-E1175 PolarHBondContact NE-OE1 3.44Å; R1171-E1175 IonicContact NE-OE2 3.48Å; R1171-E1175 IonicContact NH2-OE1 3.69Å; R1171-E1175 PolarHBondContact NH2-OE1 3.01Å; R1171-E1175 WeakPolarHBondContact O-CG 3.38Å; R1171-E1175 PolarHBondContact O-N 3.46Å |
| 1172 | T | 94.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.8 | -20.6 | -176.1 | 56.6 | 0 | 0 | 0 | 0 | 113 | L1168 E1169 K1176 | L1168-T1172 WeakPolarHBondContact O-CG2 3.31Å; L1168-T1172 PolarHBondContact O-N 3.31Å; L1168-T1172 PolarHBondContact O-OG1 3.49Å; E1169-T1172 PolarHBondContact O-OG1 2.86Å; T1172-K1176 WeakPolarHBondContact O-CD 3.38Å; T1172-K1176 WeakPolarHBondContact O-CE 3.49Å; T1172-K1176 WeakPolarHBondContact O-CG 3.49Å |
| 1173 | T | 94.5 | Very high | 90.8 | Very high | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -78.5 | -42.3 | 169.9 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | L1043 H1044 C1047 E1169 Y1170 R1171 K1176 I1177 | L1043-T1173 HydrophobicContact CG-CG2 4.17Å; H1044-T1173 HydrophobicContact CB-CG2 4.1Å; C1047-T1173 HydrophobicContact CB-CG2 4.2Å; E1169-T1173 VanDerWaalsContact O-CB 3.24Å; E1169-T1173 WeakPolarHBondContact O-CB 3.31Å; E1169-T1173 PolarHBondContact O-N 2.99Å; E1169-T1173 PolarHBondContact O-OG1 2.71Å; Y1170-T1173 PolarHBondContact O-N 3.06Å; R1171-T1173 PolarHBondContact O-N 3.33Å; T1173-K1176 PolarHBondContact O-N 2.84Å; T1173-I1177 HydrophobicContact CG2-CD1 3.77Å; T1173-I1177 WeakPolarHBondContact O-CD1 3.42Å; T1173-I1177 VanDerWaalsContact O-CG1 3.29Å; T1173-I1177 WeakPolarHBondContact O-CG1 3.17Å; T1173-I1177 PolarHBondContact O-N 3.37Å |
| 1174 | R | 94.1 | Very high | 89.8 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 176.3 | -170.1 | -176.7 | 177.5 | -77.1 | 1.2 | 111.6 | C1047 L1051 S1057 T1058 Y1170 R1171 I1177 I1178 | C1047-R1174 WeakPolarHBondContact SG-CA 3.45Å; C1047-R1174 VanDerWaalsContact SG-CB 3.52Å; L1051-R1174 HydrophobicContact CD1-CG 4.16Å; L1051-R1174 HydrophobicContact CD2-CG 4.05Å; L1051-R1174 HydrophobicContact CG-CG 4.39Å; S1057-R1174 PolarHBondContact O-NH2 3.41Å; T1058-R1174 PolarHBondContact O-NE 3.24Å; Y1170-R1174 VanDerWaalsContact O-CB 3.29Å; Y1170-R1174 WeakPolarHBondContact O-CB 3.44Å; Y1170-R1174 PolarHBondContact O-N 3.31Å; R1171-R1174 WeakPolarHBondContact O-CB 3.47Å; R1171-R1174 PolarHBondContact O-N 3.22Å; R1171-R1174 VanDerWaalsContact O-N 3.08Å; R1174-I1177 PolarHBondContact O-N 3.3Å; R1174-I1178 HydrophobicContact CG-CD1 4.05Å; R1174-I1178 VanDerWaalsContact NH1-CD1 3.29Å; R1174-I1178 WeakPolarHBondContact O-CG1 3.38Å; R1174-I1178 PolarHBondContact O-N 3.06Å |
| 1175 | E | 92.5 | Very high | 88.4 | Confident | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.4 | -49.5 | 176.1 | -70.5 | 167.6 | 155.5 | 0 | 0 | 111 | R1171 I1177 I1178 E1179 | R1171-E1175 HydrophobicContact CG-CG 4.49Å; R1171-E1175 IonicContact CZ-OE1 3.63Å; R1171-E1175 VanDerWaalsContact CZ-OE1 3.22Å; R1171-E1175 IonicContact NE-OE1 3.84Å; R1171-E1175 PolarHBondContact NE-OE1 3.44Å; R1171-E1175 IonicContact NE-OE2 3.48Å; R1171-E1175 IonicContact NH2-OE1 3.69Å; R1171-E1175 PolarHBondContact NH2-OE1 3.01Å; R1171-E1175 WeakPolarHBondContact O-CG 3.38Å; R1171-E1175 PolarHBondContact O-N 3.46Å; E1175-I1177 VanDerWaalsContact C-N 3.33Å; E1175-I1177 PolarHBondContact O-N 3.37Å; E1175-I1178 PolarHBondContact O-N 2.92Å; E1175-E1179 PolarHBondContact O-N 3.5Å |
| 1176 | K | 92.2 | Very high | 87 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.8 | -34.5 | 177.1 | -71.1 | 167.9 | -166.8 | 161.2 | 0 | 113.7 | T1172 T1173 G1180 | T1172-K1176 WeakPolarHBondContact O-CD 3.38Å; T1172-K1176 WeakPolarHBondContact O-CE 3.49Å; T1172-K1176 WeakPolarHBondContact O-CG 3.49Å; T1173-K1176 PolarHBondContact O-N 2.84Å; K1176-G1180 PolarHBondContact O-N 2.91Å |
| 1177 | I | 91.6 | Very high | 85.4 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.1 | -42.7 | 175.9 | -70.9 | 160.4 | 0 | 0 | 0 | 110.5 | H1044 C1047 L1051 T1173 R1174 E1175 G1180 R1181 | H1044-I1177 WeakPolarHBondContact ND1-CG1 3.32Å; H1044-I1177 WeakPolarHBondContact O-CD1 3.38Å; C1047-I1177 HydrophobicContact CB-CD1 3.68Å; L1051-I1177 HydrophobicContact CD1-CB 4.15Å; L1051-I1177 HydrophobicContact CD1-CG2 3.63Å; T1173-I1177 HydrophobicContact CG2-CD1 3.77Å; T1173-I1177 WeakPolarHBondContact O-CD1 3.42Å; T1173-I1177 VanDerWaalsContact O-CG1 3.29Å; T1173-I1177 WeakPolarHBondContact O-CG1 3.17Å; T1173-I1177 PolarHBondContact O-N 3.37Å; R1174-I1177 PolarHBondContact O-N 3.3Å; E1175-I1177 VanDerWaalsContact C-N 3.33Å; E1175-I1177 PolarHBondContact O-N 3.37Å; I1177-G1180 PolarHBondContact O-N 2.9Å; I1177-R1181 HydrophobicContact CG2-CG 4.37Å; I1177-R1181 WeakPolarHBondContact O-CB 3.31Å; I1177-R1181 WeakPolarHBondContact O-CG 3.37Å; I1177-R1181 PolarHBondContact O-N 2.93Å |
| 1178 | I | 89.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -53.5 | 177.1 | -68.8 | 167.8 | 0 | 0 | 0 | 110 | L1051 R1174 E1175 G1180 R1181 E1182 | L1051-I1178 HydrophobicContact CD1-CG1 4.1Å; L1051-I1178 HydrophobicContact CD2-CD1 4.22Å; L1051-I1178 HydrophobicContact CD2-CG1 4.46Å; R1174-I1178 HydrophobicContact CG-CD1 4.05Å; R1174-I1178 VanDerWaalsContact NH1-CD1 3.29Å; R1174-I1178 WeakPolarHBondContact O-CG1 3.38Å; R1174-I1178 PolarHBondContact O-N 3.06Å; E1175-I1178 PolarHBondContact O-N 2.92Å; I1178-G1180 VanDerWaalsContact C-N 3.26Å; I1178-G1180 PolarHBondContact O-N 3.07Å; I1178-R1181 CarbonylContact O-C 2.92Å; I1178-R1181 WeakPolarHBondContact O-CB 3.17Å; I1178-R1181 PolarHBondContact O-N 2.93Å; I1178-E1182 HydrophobicContact CG2-CG 4.34Å; I1178-E1182 VanDerWaalsContact CG2-OE1 3.31Å; I1178-E1182 WeakPolarHBondContact CG2-OE1 3.43Å; I1178-E1182 WeakPolarHBondContact O-CB 3.08Å; I1178-E1182 WeakPolarHBondContact O-CG 3.3Å; I1178-E1182 PolarHBondContact O-N 3Å |
| 1179 | E | 87.5 | Confident | 81.8 | Confident | 82 Ų | 82 | 74 Ų | 74 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55 | -41.5 | 174.3 | -77.5 | -172.4 | -135.3 | 0 | 0 | 112.3 | E1175 E1182 K1183 | E1175-E1179 PolarHBondContact O-N 3.5Å; E1179-E1182 PolarHBondContact O-N 3.23Å; E1179-K1183 VanDerWaalsContact O-CB 3.25Å; E1179-K1183 WeakPolarHBondContact O-CB 3.36Å; E1179-K1183 WeakPolarHBondContact O-CD 3.31Å; E1179-K1183 WeakPolarHBondContact O-CG 3.39Å; E1179-K1183 PolarHBondContact O-N 3.46Å; E1179-K1183 IonicContact OE2-NZ 3.99Å; E1179-K1183 PolarHBondContact OE2-NZ 2.9Å |
| 1180 | G | 83.3 | Confident | 79.9 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.3 | -33.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | K1176 I1177 I1178 K1184 | K1176-G1180 PolarHBondContact O-N 2.91Å; I1177-G1180 PolarHBondContact O-N 2.9Å; I1178-G1180 VanDerWaalsContact C-N 3.26Å; I1178-G1180 PolarHBondContact O-N 3.07Å; G1180-K1184 VanDerWaalsContact O-CB 3.31Å; G1180-K1184 WeakPolarHBondContact O-CB 3.47Å; G1180-K1184 VanDerWaalsContact O-CG 3.24Å; G1180-K1184 WeakPolarHBondContact O-CG 3.32Å; G1180-K1184 PolarHBondContact O-N 3.34Å; G1180-K1184 VanDerWaalsContact O-N 3.16Å |
| 1181 | R | 84.8 | Confident | 78.1 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 36% | 0.355 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.4 | -45 | 172.4 | -75.4 | 168.8 | 178.3 | -135.3 | -5.6 | 111 | D1052 I1177 I1178 K1184 A1185 | D1052-R1181 IonicContact OD1-CZ 3.25Å; D1052-R1181 VanDerWaalsContact OD1-CZ 3.25Å; D1052-R1181 IonicContact OD1-NH1 3.02Å; D1052-R1181 PolarHBondContact OD1-NH1 2.97Å; D1052-R1181 IonicContact OD1-NH2 2.63Å; D1052-R1181 PolarHBondContact OD1-NH2 3.3Å; D1052-R1181 IonicContact OD2-CZ 3.53Å; D1052-R1181 IonicContact OD2-NH1 2.7Å; D1052-R1181 IonicContact OD2-NH2 2.65Å; D1052-R1181 PolarHBondContact OD2-NH2 3.29Å; I1177-R1181 HydrophobicContact CG2-CG 4.37Å; I1177-R1181 WeakPolarHBondContact O-CB 3.31Å; I1177-R1181 WeakPolarHBondContact O-CG 3.37Å; I1177-R1181 PolarHBondContact O-N 2.93Å; I1178-R1181 CarbonylContact O-C 2.92Å; I1178-R1181 WeakPolarHBondContact O-CB 3.17Å; I1178-R1181 PolarHBondContact O-N 2.93Å; R1181-K1184 CarbonylContact O-C 3.19Å; R1181-K1184 PolarHBondContact O-N 2.96Å; R1181-A1185 WeakPolarHBondContact O-CB 3.49Å; R1181-A1185 PolarHBondContact O-N 2.79Å |
| 1182 | E | 76.6 | Confident | 76.1 | Confident | 109 Ų | 109 | 88.9 Ų | 88.9 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 176.4 | -72.8 | 170.8 | 176.4 | 0 | 0 | 111.7 | I1178 E1179 K1184 A1185 L1186 | I1178-E1182 HydrophobicContact CG2-CG 4.34Å; I1178-E1182 VanDerWaalsContact CG2-OE1 3.31Å; I1178-E1182 WeakPolarHBondContact CG2-OE1 3.43Å; I1178-E1182 WeakPolarHBondContact O-CB 3.08Å; I1178-E1182 WeakPolarHBondContact O-CG 3.3Å; I1178-E1182 PolarHBondContact O-N 3Å; E1179-E1182 PolarHBondContact O-N 3.23Å; E1182-K1184 VanDerWaalsContact C-N 3.31Å; E1182-K1184 PolarHBondContact O-N 3.02Å; E1182-A1185 CarbonylContact O-C 3.6Å; E1182-A1185 PolarHBondContact O-N 2.82Å; E1182-A1185 VanDerWaalsContact O-N 3.14Å; E1182-L1186 WeakPolarHBondContact O-CB 3.45Å; E1182-L1186 WeakPolarHBondContact O-CG 3.15Å; E1182-L1186 PolarHBondContact O-N 2.9Å |
| 1183 | K | 73.8 | Confident | 74 | Confident | 128 Ų | 128 | 87 Ų | 87 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 176.2 | -71.6 | 161.7 | -174.4 | 170.5 | 0 | 111.5 | E1179 A1187 | E1179-K1183 VanDerWaalsContact O-CB 3.25Å; E1179-K1183 WeakPolarHBondContact O-CB 3.36Å; E1179-K1183 WeakPolarHBondContact O-CD 3.31Å; E1179-K1183 WeakPolarHBondContact O-CG 3.39Å; E1179-K1183 PolarHBondContact O-N 3.46Å; E1179-K1183 IonicContact OE2-NZ 3.99Å; E1179-K1183 PolarHBondContact OE2-NZ 2.9Å; K1183-A1187 WeakPolarHBondContact O-CB 3.38Å; K1183-A1187 PolarHBondContact O-N 3.41Å |
| 1184 | K | 72.1 | Confident | 71.5 | Confident | 142 Ų | 142 | 89 Ų | 89 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -73.5 | -31.8 | 172.5 | -75.5 | 177.2 | 178.6 | -177.6 | 0 | 113.2 | G1180 R1181 E1182 R1188 | G1180-K1184 VanDerWaalsContact O-CB 3.31Å; G1180-K1184 WeakPolarHBondContact O-CB 3.47Å; G1180-K1184 VanDerWaalsContact O-CG 3.24Å; G1180-K1184 WeakPolarHBondContact O-CG 3.32Å; G1180-K1184 PolarHBondContact O-N 3.34Å; G1180-K1184 VanDerWaalsContact O-N 3.16Å; R1181-K1184 CarbonylContact O-C 3.19Å; R1181-K1184 PolarHBondContact O-N 2.96Å; E1182-K1184 VanDerWaalsContact C-N 3.31Å; E1182-K1184 PolarHBondContact O-N 3.02Å; K1184-R1188 WeakPolarHBondContact O-CB 3.41Å; K1184-R1188 WeakPolarHBondContact O-CG 3.49Å; K1184-R1188 PolarHBondContact O-N 2.8Å |
| 1185 | A | 65 | Low | 69.2 | Low | 55 Ų | 55 | 86.6 Ų | 86.6 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.9 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R1181 E1182 E1189 | R1181-A1185 WeakPolarHBondContact O-CB 3.49Å; R1181-A1185 PolarHBondContact O-N 2.79Å; E1182-A1185 CarbonylContact O-C 3.6Å; E1182-A1185 PolarHBondContact O-N 2.82Å; E1182-A1185 VanDerWaalsContact O-N 3.14Å; A1185-E1189 WeakPolarHBondContact O-CA 3.48Å; A1185-E1189 WeakPolarHBondContact O-CB 3.44Å; A1185-E1189 PolarHBondContact O-N 3.08Å |
| 1186 | L | 64.8 | Low | 67.2 | Low | 98 Ų | 98 | 87.7 Ų | 87.7 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | 172.3 | -69.5 | 169.7 | 0 | 0 | 0 | 112.1 | E1182 R1190 | E1182-L1186 WeakPolarHBondContact O-CB 3.45Å; E1182-L1186 WeakPolarHBondContact O-CG 3.15Å; E1182-L1186 PolarHBondContact O-N 2.9Å; L1186-R1190 WeakPolarHBondContact O-CB 3.48Å; L1186-R1190 WeakPolarHBondContact O-CD 3.23Å; L1186-R1190 WeakPolarHBondContact O-CG 3.23Å; L1186-R1190 PolarHBondContact O-N 2.78Å |
| 1187 | A | 62.2 | Low | 65.2 | Low | 53 Ų | 53 | 84.5 Ų | 84.5 | 44% | 0.438 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.6 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1183 K1191 | K1183-A1187 WeakPolarHBondContact O-CB 3.38Å; K1183-A1187 PolarHBondContact O-N 3.41Å; A1187-K1191 WeakPolarHBondContact O-CB 3.41Å; A1187-K1191 WeakPolarHBondContact O-CG 3.47Å; A1187-K1191 PolarHBondContact O-N 3.41Å |
| 1188 | R | 59.7 | Low | 63.3 | Low | 188 Ų | 188 | 86 Ų | 86 | 71% | 0.709 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.5 | -42.5 | 172 | -79.8 | 172.1 | 172.1 | 175.7 | -5.2 | 111.6 | K1184 K1191 R1192 | K1184-R1188 WeakPolarHBondContact O-CB 3.41Å; K1184-R1188 WeakPolarHBondContact O-CG 3.49Å; K1184-R1188 PolarHBondContact O-N 2.8Å; R1188-K1191 CarbonylContact O-C 3.38Å; R1188-K1191 PolarHBondContact O-N 2.92Å; R1188-R1192 WeakPolarHBondContact O-CA 3.42Å; R1188-R1192 WeakPolarHBondContact O-CB 3.46Å; R1188-R1192 PolarHBondContact O-N 3.48Å |
| 1189 | E | 55.7 | Low | 61.1 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 35% | 0.346 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.3 | -40.6 | -179.3 | -165.6 | 64.9 | -177.7 | 0 | 0 | 109.9 | A1185 K1191 R1192 T1193 | A1185-E1189 WeakPolarHBondContact O-CA 3.48Å; A1185-E1189 WeakPolarHBondContact O-CB 3.44Å; A1185-E1189 PolarHBondContact O-N 3.08Å; E1189-K1191 PolarHBondContact O-N 3.04Å; E1189-R1192 CarbonylContact O-C 3.57Å; E1189-R1192 PolarHBondContact O-N 3.38Å; E1189-R1192 VanDerWaalsContact O-N 3.09Å; E1189-R1192 IonicContact OE1-CZ 3.7Å; E1189-R1192 IonicContact OE1-NE 3.72Å; E1189-R1192 PolarHBondContact OE1-NE 3.3Å; E1189-R1192 IonicContact OE1-NH2 3.84Å; E1189-R1192 PolarHBondContact OE1-NH2 3.16Å; E1189-R1192 WeakPolarHBondContact OE2-CD 3.2Å; E1189-R1192 IonicContact OE2-CZ 2.66Å; E1189-R1192 IonicContact OE2-NE 2.86Å; E1189-R1192 PolarHBondContact OE2-NE 3.42Å; E1189-R1192 IonicContact OE2-NH2 3.06Å; E1189-T1193 HydrophobicContact CG-CG2 3.86Å; E1189-T1193 WeakPolarHBondContact O-CB 3.32Å; E1189-T1193 WeakPolarHBondContact O-CG2 3.35Å; E1189-T1193 PolarHBondContact O-N 3.1Å; E1189-T1193 PolarHBondContact O-OG1 2.67Å; E1189-T1193 WeakPolarHBondContact OE1-CG2 3.49Å |
| 1190 | R | 54.3 | Low | 58.9 | Low | 162 Ų | 162 | 88.5 Ų | 88.5 | 61% | 0.611 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.5 | -47.1 | 167.2 | -72.5 | 166.8 | -176.6 | -179.2 | -1.1 | 111.8 | L1186 R1192 T1193 R1194 | L1186-R1190 WeakPolarHBondContact O-CB 3.48Å; L1186-R1190 WeakPolarHBondContact O-CD 3.23Å; L1186-R1190 WeakPolarHBondContact O-CG 3.23Å; L1186-R1190 PolarHBondContact O-N 2.78Å; R1190-R1192 VanDerWaalsContact C-N 3.26Å; R1190-R1192 PolarHBondContact O-N 3.33Å; R1190-T1193 PolarHBondContact O-N 3.13Å; R1190-R1194 WeakPolarHBondContact O-CA 3.44Å; R1190-R1194 WeakPolarHBondContact O-CB 3.29Å; R1190-R1194 PolarHBondContact O-N 3.28Å |
| 1191 | K | 57.2 | Low | 56.8 | Low | 143 Ų | 143 | 90 Ų | 90 | 62% | 0.622 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62 | -29.8 | 173.3 | -81.3 | -174.6 | 168.4 | -173 | 0 | 113.5 | D64 A1187 R1188 E1189 | D64-K1191 IonicContact OD2-NZ 3.88Å; D64-K1191 PolarHBondContact OD2-NZ 3.49Å; A1187-K1191 WeakPolarHBondContact O-CB 3.41Å; A1187-K1191 WeakPolarHBondContact O-CG 3.47Å; A1187-K1191 PolarHBondContact O-N 3.41Å; R1188-K1191 CarbonylContact O-C 3.38Å; R1188-K1191 PolarHBondContact O-N 2.92Å; E1189-K1191 PolarHBondContact O-N 3.04Å |
| 1192 | R | 52.8 | Low | 54.4 | Low | 123 Ų | 123 | 88 Ų | 88 | 46% | 0.464 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -83 | -38.6 | -178.4 | -169.1 | -175.2 | 82.6 | 98.2 | 3.1 | 111.2 | R1188 E1189 R1190 K1196 | R1188-R1192 WeakPolarHBondContact O-CA 3.42Å; R1188-R1192 WeakPolarHBondContact O-CB 3.46Å; R1188-R1192 PolarHBondContact O-N 3.48Å; E1189-R1192 CarbonylContact O-C 3.57Å; E1189-R1192 PolarHBondContact O-N 3.38Å; E1189-R1192 VanDerWaalsContact O-N 3.09Å; E1189-R1192 IonicContact OE1-CZ 3.7Å; E1189-R1192 IonicContact OE1-NE 3.72Å; E1189-R1192 PolarHBondContact OE1-NE 3.3Å; E1189-R1192 IonicContact OE1-NH2 3.84Å; E1189-R1192 PolarHBondContact OE1-NH2 3.16Å; E1189-R1192 WeakPolarHBondContact OE2-CD 3.2Å; E1189-R1192 IonicContact OE2-CZ 2.66Å; E1189-R1192 IonicContact OE2-NE 2.86Å; E1189-R1192 PolarHBondContact OE2-NE 3.42Å; E1189-R1192 IonicContact OE2-NH2 3.06Å; R1190-R1192 VanDerWaalsContact C-N 3.26Å; R1190-R1192 PolarHBondContact O-N 3.33Å; R1192-K1196 HydrophobicContact CG-CD 4.4Å; R1192-K1196 WeakPolarHBondContact O-CB 3.42Å; R1192-K1196 WeakPolarHBondContact O-CD 3.47Å; R1192-K1196 WeakPolarHBondContact O-CE 3.42Å; R1192-K1196 WeakPolarHBondContact O-CG 3.47Å |
| 1193 | T | 48.5 | Very low | 52.5 | Low | 7 Ų | 7 | 85.4 Ų | 85.4 | 4% | 0.043 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -106.9 | -9 | -170.3 | 70.8 | 0 | 0 | 0 | 0 | 114 | V156 E1189 R1190 G1195 K1196 | V156-T1193 HydrophobicContact CB-CG2 4.34Å; V156-T1193 HydrophobicContact CG2-CG2 3.93Å; E1189-T1193 HydrophobicContact CG-CG2 3.86Å; E1189-T1193 WeakPolarHBondContact O-CB 3.32Å; E1189-T1193 WeakPolarHBondContact O-CG2 3.35Å; E1189-T1193 PolarHBondContact O-N 3.1Å; E1189-T1193 PolarHBondContact O-OG1 2.67Å; E1189-T1193 WeakPolarHBondContact OE1-CG2 3.49Å; R1190-T1193 PolarHBondContact O-N 3.13Å; T1193-G1195 PolarHBondContact O-N 3.22Å; T1193-K1196 PolarHBondContact O-N 3.42Å |
| 1194 | R | 43.5 | Very low | 50.7 | Low | 62 Ų | 62 | 83.9 Ų | 83.9 | 23% | 0.234 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 109.5 | 158.9 | -176.4 | 169.9 | 170.1 | 130.7 | 0.9 | 108.6 | L81 D116 H119 E120 D157 R1190 K1196 | L81-R1194 VanDerWaalsContact CD1-NH2 3.29Å; D116-R1194 IonicContact OD1-NE 2.8Å; H119-R1194 HydrophobicContact CB-CG 4.13Å; H119-R1194 PolarHBondContact CD2-NH1 3.37Å; E120-R1194 IonicContact OE1-CZ 3.08Å; E120-R1194 IonicContact OE1-NH1 3.67Å; E120-R1194 PolarHBondContact OE1-NH1 3.36Å; E120-R1194 IonicContact OE1-NH2 2.69Å; E120-R1194 PolarHBondContact OE1-NH2 3.06Å; D157-R1194 WeakPolarHBondContact OD2-CA 3.48Å; D157-R1194 WeakPolarHBondContact OD2-CB 3.44Å; R1190-R1194 WeakPolarHBondContact O-CA 3.44Å; R1190-R1194 WeakPolarHBondContact O-CB 3.29Å; R1190-R1194 PolarHBondContact O-N 3.28Å; R1194-K1196 PolarHBondContact O-N 3.47Å; R1194-K1196 VanDerWaalsContact O-N 3.14Å |
| 1195 | G | 46.2 | Very low | 49 | Very low | 3 Ų | 3 | 79.3 Ų | 79.3 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 9.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | K115 Y155 T1193 | K115-G1195 WeakPolarHBondContact CB-O 3.12Å; K115-G1195 VanDerWaalsContact CD-O 3.27Å; K115-G1195 WeakPolarHBondContact CD-O 3.49Å; K115-G1195 WeakPolarHBondContact CG-O 3.25Å; K115-G1195 VanDerWaalsContact O-CA 3.27Å; K115-G1195 WeakPolarHBondContact O-CA 3.49Å; Y155-G1195 VanDerWaalsContact CD1-C 3.49Å; Y155-G1195 WeakPolarHBondContact CD1-O 3.48Å; Y155-G1195 VanDerWaalsContact CE1-O 3.31Å; Y155-G1195 WeakPolarHBondContact CE1-O 3.42Å; T1193-G1195 PolarHBondContact O-N 3.22Å |
| 1196 | K | 50.2 | Low | 47.5 | Very low | 92 Ų | 92 | 83.2 Ų | 83.2 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | trans | -85.8 | 130.5 | 164.6 | -68 | -171.4 | -157.4 | 179.2 | 0 | 110.2 | R1192 T1193 R1194 | R1192-K1196 HydrophobicContact CG-CD 4.4Å; R1192-K1196 WeakPolarHBondContact O-CB 3.42Å; R1192-K1196 WeakPolarHBondContact O-CD 3.47Å; R1192-K1196 WeakPolarHBondContact O-CE 3.42Å; R1192-K1196 WeakPolarHBondContact O-CG 3.47Å; T1193-K1196 PolarHBondContact O-N 3.42Å; R1194-K1196 PolarHBondContact O-N 3.47Å; R1194-K1196 VanDerWaalsContact O-N 3.14Å | ||
| 1197 | L | 49 | Very low | 46.1 | Very low | 73 Ų | 73 | 84 Ų | 84 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | B | Isolated β-bridge | trans | -54.6 | 154.7 | 166.1 | -69.7 | 163.5 | 0 | 0 | 0 | 109.4 | L154 Y155 V1199 | L154-L1197 HydrophobicContact CB-CD2 3.68Å; L154-L1197 HydrophobicContact CD1-CD2 4.45Å; L154-L1197 CarbonylContact O-C 3.55Å; L154-L1197 WeakPolarHBondContact O-CA 3.22Å; Y155-L1197 HydrophobicContact CD1-CD2 4.19Å; Y155-L1197 HydrophobicContact CD1-CG 4.28Å; Y155-L1197 HydrophobicContact CE1-CD2 3.68Å; Y155-L1197 HydrophobicContact CE1-CG 3.72Å; Y155-L1197 HydrophobicContact CE2-CD2 4.07Å; L1197-V1199 HydrophobicContact CB-CG2 3.58Å; L1197-V1199 PolarHBondContact O-N 3.37Å |
| 1198 | I | 51.5 | Low | 44.9 | Very low | 40 Ų | 40 | 87.4 Ų | 87.4 | 21% | 0.205 | 41% | 0.407 | C | S | . | . | trans | -75.7 | 68.7 | 172 | -61 | 158.4 | 0 | 0 | 0 | 107.7 | M153 L154 V156 M159 Y197 D1200 | M153-I1198 WeakPolarHBondContact O-CD1 3.42Å; L154-I1198 WeakPolarHBondContact O-CG1 3.41Å; L154-I1198 PolarHBondContact O-N 3.3Å; V156-I1198 HydrophobicContact CG2-CG1 3.9Å; M159-I1198 HydrophobicContact CB-CD1 4.39Å; Y197-I1198 HydrophobicContact CD2-CD1 4.03Å; Y197-I1198 HydrophobicContact CE2-CD1 3.7Å; Y197-I1198 HydrophobicContact CE2-CG1 4.34Å; I1198-D1200 PolarHBondContact O-N 3.39Å | ||
| 1199 | V | 44.2 | Very low | 43.6 | Very low | 74 Ų | 74 | 81.5 Ų | 81.5 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 68 | -178.7 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | L1197 T1203 | L1197-V1199 HydrophobicContact CB-CG2 3.58Å; L1197-V1199 PolarHBondContact O-N 3.37Å; V1199-T1203 WeakPolarHBondContact CG1-OG1 3.48Å |
| 1200 | D | 40.6 | Very low | 42.4 | Very low | 108 Ų | 108 | 85.6 Ų | 85.6 | 58% | 0.578 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.7 | -32.4 | 166.6 | -87.8 | -60.4 | 0 | 0 | 0 | 111.1 | I1198 I1204 | I1198-D1200 PolarHBondContact O-N 3.39Å; D1200-I1204 WeakPolarHBondContact O-CG1 3.38Å; D1200-I1204 PolarHBondContact O-N 3Å |
| 1201 | L | 40.6 | Very low | 41.4 | Very low | 62 Ų | 62 | 83.3 Ų | 83.3 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.2 | -51.5 | 168.1 | -76.6 | 161.1 | 0 | 0 | 0 | 111.1 | T1203 I1204 M1205 C1306 | L1201-T1203 PolarHBondContact O-N 3.33Å; L1201-I1204 PolarHBondContact O-N 2.81Å; L1201-M1205 VanDerWaalsContact O-CG 3.25Å; L1201-M1205 WeakPolarHBondContact O-CG 3.44Å; L1201-M1205 PolarHBondContact O-N 3.3Å; L1201-C1306 HydrophobicContact CD2-CB 4.45Å |
| 1202 | N | 34.5 | Very low | 40.3 | Very low | 53 Ų | 53 | 82.4 Ų | 82.4 | 28% | 0.283 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 178.9 | -81.2 | -7.9 | 0 | 0 | 0 | 113.3 | M1205 E1206 L1302 | N1202-M1205 WeakPolarHBondContact O-CB 3.25Å; N1202-M1205 PolarHBondContact O-N 3.21Å; N1202-M1205 VanDerWaalsContact O-N 3.14Å; N1202-E1206 PolarHBondContact O-N 3.44Å; N1202-L1302 VanDerWaalsContact OD1-CD2 3.3Å; N1202-L1302 WeakPolarHBondContact OD1-CD2 3.33Å; N1202-L1302 WeakPolarHBondContact OD1-CG 3.32Å |
| 1203 | T | 35.3 | Very low | 39.3 | Very low | 54 Ų | 54 | 84.1 Ų | 84.1 | 33% | 0.331 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.7 | -30.3 | -178.7 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | V1199 L1201 L1207 | V1199-T1203 WeakPolarHBondContact CG1-OG1 3.48Å; L1201-T1203 PolarHBondContact O-N 3.33Å; T1203-L1207 HydrophobicContact CG2-CD1 3.84Å; T1203-L1207 HydrophobicContact CG2-CG 4.39Å; T1203-L1207 VanDerWaalsContact O-CB 3.3Å; T1203-L1207 WeakPolarHBondContact O-CB 3.3Å; T1203-L1207 VanDerWaalsContact O-CG 3.24Å; T1203-L1207 WeakPolarHBondContact O-CG 3.44Å; T1203-L1207 PolarHBondContact O-N 3.09Å |
| 1204 | I | 37.3 | Very low | 38.3 | Very low | 95 Ų | 95 | 87.7 Ų | 87.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 167.1 | -68 | 170.6 | 0 | 0 | 0 | 110.5 | D1200 L1201 Q1208 | D1200-I1204 WeakPolarHBondContact O-CG1 3.38Å; D1200-I1204 PolarHBondContact O-N 3Å; L1201-I1204 PolarHBondContact O-N 2.81Å; I1204-Q1208 WeakPolarHBondContact O-CB 3.3Å; I1204-Q1208 VanDerWaalsContact O-CG 3.26Å; I1204-Q1208 WeakPolarHBondContact O-CG 3.37Å; I1204-Q1208 PolarHBondContact O-N 3.4Å; I1204-Q1208 VanDerWaalsContact O-N 3.11Å |
| 1205 | M | 35.9 | Very low | 37.5 | Very low | 46 Ų | 46 | 94.1 Ų | 94.1 | 23% | 0.227 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66 | -45.7 | 179.3 | -71.1 | 158.8 | 44 | 0 | 0 | 113.4 | L1201 N1202 Q1208 S1209 L1302 A1305 | L1201-M1205 VanDerWaalsContact O-CG 3.25Å; L1201-M1205 WeakPolarHBondContact O-CG 3.44Å; L1201-M1205 PolarHBondContact O-N 3.3Å; N1202-M1205 WeakPolarHBondContact O-CB 3.25Å; N1202-M1205 PolarHBondContact O-N 3.21Å; N1202-M1205 VanDerWaalsContact O-N 3.14Å; M1205-Q1208 PolarHBondContact O-N 3.14Å; M1205-S1209 WeakPolarHBondContact O-CB 3.34Å; M1205-S1209 PolarHBondContact O-N 3.21Å; M1205-L1302 HydrophobicContact CE-CD2 4.45Å; M1205-L1302 HydrophobicContact CE-CG 4.22Å; M1205-A1305 HydrophobicContact CE-CB 3.58Å; M1205-A1305 HydrophobicContact CG-CB 4.01Å; M1205-A1305 HydrophobicContact SD-CB 3.63Å |
| 1206 | E | 34 | Very low | 36.7 | Very low | 138 Ų | 138 | 100.2 Ų | 100.2 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.2 | -46 | 178.4 | -72.2 | -177.1 | 121.6 | 0 | 0 | 111.6 | N1202 Q1208 S1209 E1210 | N1202-E1206 PolarHBondContact O-N 3.44Å; E1206-Q1208 PolarHBondContact O-N 3.11Å; E1206-S1209 WeakPolarHBondContact O-CB 3.26Å; E1206-S1209 PolarHBondContact O-N 3.49Å; E1206-S1209 VanDerWaalsContact O-N 3.13Å; E1206-E1210 PolarHBondContact O-N 2.84Å |
| 1207 | L | 35.7 | Very low | 35.6 | Very low | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.7 | -14.3 | 179.2 | -65.8 | 175.8 | 0 | 0 | 0 | 113.9 | T1203 | T1203-L1207 HydrophobicContact CG2-CD1 3.84Å; T1203-L1207 HydrophobicContact CG2-CG 4.39Å; T1203-L1207 VanDerWaalsContact O-CB 3.3Å; T1203-L1207 WeakPolarHBondContact O-CB 3.3Å; T1203-L1207 VanDerWaalsContact O-CG 3.24Å; T1203-L1207 WeakPolarHBondContact O-CG 3.44Å; T1203-L1207 PolarHBondContact O-N 3.09Å |
| 1208 | Q | 35.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 104.8 Ų | 104.8 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -95.7 | -25 | 169.9 | -69.6 | -178.9 | -0.3 | 0 | 0 | 112.9 | I1204 M1205 E1206 V1211 | I1204-Q1208 WeakPolarHBondContact O-CB 3.3Å; I1204-Q1208 VanDerWaalsContact O-CG 3.26Å; I1204-Q1208 WeakPolarHBondContact O-CG 3.37Å; I1204-Q1208 PolarHBondContact O-N 3.4Å; I1204-Q1208 VanDerWaalsContact O-N 3.11Å; M1205-Q1208 PolarHBondContact O-N 3.14Å; E1206-Q1208 PolarHBondContact O-N 3.11Å; Q1208-V1211 PolarHBondContact O-N 3.22Å |
| 1209 | S | 32.7 | Very low | 33.3 | Very low | 64 Ų | 64 | 106.4 Ų | 106.4 | 45% | 0.448 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64 | -44.6 | 177.3 | -171.1 | 0 | 0 | 0 | 0 | 112.7 | M1205 E1206 V1211 V1212 | M1205-S1209 WeakPolarHBondContact O-CB 3.34Å; M1205-S1209 PolarHBondContact O-N 3.21Å; E1206-S1209 WeakPolarHBondContact O-CB 3.26Å; E1206-S1209 PolarHBondContact O-N 3.49Å; E1206-S1209 VanDerWaalsContact O-N 3.13Å; S1209-V1211 PolarHBondContact O-N 2.93Å; S1209-V1212 PolarHBondContact O-N 3.03Å |
| 1210 | E | 31.8 | Very low | 32.6 | Very low | 161 Ų | 161 | 111.1 Ų | 111.1 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.3 | -25.9 | 178.4 | -69.3 | -158.7 | 125.5 | 0 | 0 | 113.4 | E1206 | E1206-E1210 PolarHBondContact O-N 2.84Å |
| 1211 | V | 32.9 | Very low | 31.9 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.7 | -23.3 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | Q1208 S1209 | Q1208-V1211 PolarHBondContact O-N 3.22Å; S1209-V1211 PolarHBondContact O-N 2.93Å |
| 1212 | V | 34.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.4 | -28 | -175.1 | 176.4 | 0 | 0 | 0 | 0 | 113 | S1209 A1214 | S1209-V1212 PolarHBondContact O-N 3.03Å; V1212-A1214 PolarHBondContact O-N 3.35Å |
| 1213 | Q | 31.7 | Very low | 31 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 75% | 0.748 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -82.6 | -8.5 | -176.8 | -60.3 | -164.5 | 13.4 | 0 | 0 | 114.6 | K1215 | Q1213-K1215 PolarHBondContact O-N 3.14Š|
| 1214 | A | 27.5 | Very low | 30.7 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 46.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1212 | V1212-A1214 PolarHBondContact O-N 3.35Š|
| 1215 | K | 26.4 | Very low | 30.4 | Very low | 198 Ų | 198 | 128.3 Ų | 128.3 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | 15.9 | 176.4 | -120.3 | 156 | -165.6 | 167.6 | 0 | 121.3 | Q1213 | Q1213-K1215 PolarHBondContact O-N 3.14Š|
| 1216 | T | 29.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -144.7 | 105 | 168.3 | -23.9 | 0 | 0 | 0 | 0 | 116 | ||
| 1217 | V | 28 | Very low | 29.7 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | 47.1 | 88.5 | 139.3 | -170.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1218 | T | 24.9 | Very low | 29.5 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | 33.7 | 116.7 | 133.4 | 60.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1219 | G | 27.1 | Very low | 29.3 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -176.8 | 109.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1220 | L | 29.7 | Very low | 29.4 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | 46.3 | 92.9 | 148.9 | -62.2 | 171.4 | 0 | 0 | 0 | 120.9 | ||||
| 1221 | R | 25.5 | Very low | 29.5 | Very low | 223 Ų | 223 | 134.4 Ų | 134.4 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | 18.7 | 135 | 121.9 | -111 | -170.7 | 164.6 | 163.7 | -3.9 | 120.2 | |||||
| 1222 | N | 27.9 | Very low | 29.5 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 100 | 120.2 | 140.6 | -65.6 | -6.4 | 0 | 0 | 0 | 121.1 | ||||
| 1223 | A | 28 | Very low | 29.5 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 90.4 | 141.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1224 | P | 29.3 | Very low | 29.8 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | trans | -104 | 174.8 | -168.7 | 41.9 | -36.5 | 0 | 0 | 0 | 113.8 | ||||
| 1225 | N | 29.4 | Very low | 30.3 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -132.3 | 102.6 | 160.2 | -92.9 | -21.4 | 0 | 0 | 0 | 110 | ||||
| 1226 | D | 26.6 | Very low | 30.8 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -75 | -178 | 159.1 | -67.3 | -76.7 | 0 | 0 | 0 | 111.2 | ||||
| 1227 | L | 28.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | trans | 66.3 | 79.7 | 167.9 | -83.3 | 66.1 | 0 | 0 | 0 | 116.9 | ||||
| 1228 | V | 32.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -134.2 | -61.1 | 139.1 | -179 | 0 | 0 | 0 | 0 | 111 | S1230 | V1228-S1230 PolarHBondContact O-N 2.84Š|
| 1229 | Q | 31.9 | Very low | 32.5 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -26.4 | -162 | -76.1 | 143 | -65.4 | 0 | 0 | 116.5 | K1231 | Q1229-K1231 PolarHBondContact O-N 3.01Š|
| 1230 | S | 34.9 | Very low | 32.8 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -2.4 | -176.1 | 60.2 | 0 | 0 | 0 | 0 | 115.5 | V1228 | V1228-S1230 PolarHBondContact O-N 2.84Š|
| 1231 | K | 32.9 | Very low | 33.2 | Very low | 136 Ų | 136 | 122 Ų | 122 | 59% | 0.591 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -44.1 | 179.5 | -163.9 | 178.4 | 177.4 | -168.3 | 0 | 112.7 | Q1229 D1233 A1234 E1235 | Q1229-K1231 PolarHBondContact O-N 3.01Å; K1231-D1233 VanDerWaalsContact C-N 3.28Å; K1231-D1233 PolarHBondContact O-N 2.78Å; K1231-A1234 WeakPolarHBondContact O-CB 3.24Å; K1231-A1234 PolarHBondContact O-N 3.18Å; K1231-A1234 VanDerWaalsContact O-N 3.09Å; K1231-E1235 PolarHBondContact O-N 3Å |
| 1232 | D | 33 | Very low | 33.5 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.2 | -33.7 | 179.9 | -64.7 | 8.4 | 0 | 0 | 0 | 110.8 | A1234 E1235 L1236 | D1232-A1234 VanDerWaalsContact C-N 3.31Å; D1232-A1234 PolarHBondContact O-N 3.26Å; D1232-E1235 CarbonylContact O-C 3.6Å; D1232-E1235 PolarHBondContact O-N 2.86Å; D1232-L1236 WeakPolarHBondContact O-CB 3.3Å; D1232-L1236 PolarHBondContact O-N 2.79Å |
| 1233 | D | 35.1 | Very low | 33.7 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 54% | 0.535 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.9 | -29.4 | 172.7 | -76.9 | -38 | 0 | 0 | 0 | 113.5 | K1231 R1237 | K1231-D1233 VanDerWaalsContact C-N 3.28Å; K1231-D1233 PolarHBondContact O-N 2.78Å; D1233-R1237 WeakPolarHBondContact O-CG 3.35Å; D1233-R1237 PolarHBondContact O-N 2.87Å |
| 1234 | A | 38 | Very low | 33.8 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.4 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | K1231 D1232 L1236 R1237 D1238 | K1231-A1234 WeakPolarHBondContact O-CB 3.24Å; K1231-A1234 PolarHBondContact O-N 3.18Å; K1231-A1234 VanDerWaalsContact O-N 3.09Å; D1232-A1234 VanDerWaalsContact C-N 3.31Å; D1232-A1234 PolarHBondContact O-N 3.26Å; A1234-L1236 VanDerWaalsContact C-N 3.33Å; A1234-R1237 PolarHBondContact O-N 3.11Å; A1234-D1238 PolarHBondContact O-N 2.94Å |
| 1235 | E | 37.7 | Very low | 34 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.6 | -27.7 | 174.6 | -63.9 | -178.7 | -159.6 | 0 | 0 | 111.6 | K1231 D1232 L1239 | K1231-E1235 PolarHBondContact O-N 3Å; D1232-E1235 CarbonylContact O-C 3.6Å; D1232-E1235 PolarHBondContact O-N 2.86Å; E1235-L1239 WeakPolarHBondContact O-CB 3.33Å; E1235-L1239 PolarHBondContact O-N 3.16Å |
| 1236 | L | 36.8 | Very low | 34.1 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 39% | 0.393 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.9 | -35.7 | 172.3 | -119.7 | 76.9 | 0 | 0 | 0 | 113.7 | D1232 A1234 D1238 L1239 L1240 | D1232-L1236 WeakPolarHBondContact O-CB 3.3Å; D1232-L1236 PolarHBondContact O-N 2.79Å; A1234-L1236 VanDerWaalsContact C-N 3.33Å; L1236-D1238 VanDerWaalsContact C-N 3.3Å; L1236-L1239 PolarHBondContact O-N 3.38Å; L1236-L1240 WeakPolarHBondContact O-CG 3.44Å; L1236-L1240 PolarHBondContact O-N 2.91Å |
| 1237 | R | 41.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 120.4 Ų | 120.4 | 62% | 0.619 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.6 | -40 | 172.7 | -79.1 | 178.6 | 176.3 | -162.2 | -2.5 | 111.1 | D113 D1233 A1234 | D113-R1237 IonicContact OD2-NH2 2.8Å; D113-R1237 PolarHBondContact OD2-NH2 2.95Å; D113-R1237 VanDerWaalsContact OD2-NH2 3.08Å; D1233-R1237 WeakPolarHBondContact O-CG 3.35Å; D1233-R1237 PolarHBondContact O-N 2.87Å; A1234-R1237 PolarHBondContact O-N 3.11Å |
| 1238 | D | 39.7 | Very low | 34.4 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.6 | -44.7 | 173.2 | -164.2 | 61.2 | 0 | 0 | 0 | 112.1 | A1234 L1236 L1240 L1241 | A1234-D1238 PolarHBondContact O-N 2.94Å; L1236-D1238 VanDerWaalsContact C-N 3.3Å; D1238-L1240 VanDerWaalsContact C-N 3.32Å; D1238-L1240 PolarHBondContact O-N 3.24Å; D1238-L1241 PolarHBondContact O-N 3.38Å |
| 1239 | L | 36.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 120 Ų | 120 | 56% | 0.56 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.9 | -23.3 | 179.3 | -88.2 | 165.1 | 0 | 0 | 0 | 115.5 | E1235 L1236 | E1235-L1239 WeakPolarHBondContact O-CB 3.33Å; E1235-L1239 PolarHBondContact O-N 3.16Å; L1236-L1239 PolarHBondContact O-N 3.38Å |
| 1240 | L | 33.4 | Very low | 34.3 | Very low | 74 Ų | 74 | 120.7 Ų | 120.7 | 39% | 0.387 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -10.1 | 177.8 | -72.7 | 173.4 | 0 | 0 | 0 | 113.7 | L1236 D1238 | L1236-L1240 WeakPolarHBondContact O-CG 3.44Å; L1236-L1240 PolarHBondContact O-N 2.91Å; D1238-L1240 VanDerWaalsContact C-N 3.32Å; D1238-L1240 PolarHBondContact O-N 3.24Å |
| 1241 | L | 38.8 | Very low | 34.2 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -99.4 | -1.1 | -179.6 | -72.4 | 170.1 | 0 | 0 | 0 | 114.1 | D1238 P1243 | D1238-L1241 PolarHBondContact O-N 3.38Å; L1241-P1243 WeakPolarHBondContact O-CD 3.49Å |
| 1242 | R | 31.4 | Very low | 34.1 | Very low | 190 Ų | 190 | 119.3 Ų | 119.3 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | trans | -99.2 | 112.4 | -171 | -155.8 | 179.1 | 97.1 | 167.6 | 8.9 | 113.9 | ||||
| 1243 | P | 33.6 | Very low | 34.1 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | trans | -61.5 | 151.9 | 164.8 | -18.6 | 32.7 | 0 | 0 | 0 | 110.9 | L1241 | L1241-P1243 WeakPolarHBondContact O-CD 3.49Š| ||
| 1244 | S | 28.6 | Very low | 33.8 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -100.8 | 123.3 | 179.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1245 | N | 33 | Very low | 33.3 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -165.7 | 140.9 | 141 | -101.7 | 6.4 | 0 | 0 | 0 | 110.4 | ||||
| 1246 | E | 32.1 | Very low | 33 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | trans | 32.7 | 127.2 | 138.6 | -59.3 | 170 | -177.7 | 0 | 0 | 119 | ||||
| 1247 | T | 32.2 | Very low | 32.9 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | cis | -163.2 | 151.2 | 7.6 | 8.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1248 | D | 29.8 | Very low | 32.5 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | 63.4 | 162.8 | 150.5 | -57.2 | -15 | 0 | 0 | 0 | 123.3 | ||||
| 1249 | S | 33.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 76.9 | 65.3 | 162.4 | -61.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1250 | D | 30.1 | Very low | 32.3 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | 35.3 | 140.2 | 120.5 | -69.1 | -35.5 | 0 | 0 | 0 | 124.4 | |||||
| 1251 | A | 30.7 | Very low | 32.3 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | 80.7 | 85.3 | 137 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1252 | S | 32.1 | Very low | 32.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | 88.6 | 153.9 | 112.8 | 81.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1253 | S | 32 | Very low | 32.3 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 72.4 | 141.5 | 164.2 | -136 | 0 | 0 | 0 | 0 | 116 | ||||
| 1254 | F | 28.8 | Very low | 32.5 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | cis | -154.1 | 141.2 | 29.5 | 179.4 | -105.5 | 0 | 0 | 0 | 112.8 | A1256 | F1254-A1256 HydrophobicContact CD1-CB 4.43Å; F1254-A1256 HydrophobicContact CE1-CB 3.68Å; F1254-A1256 HydrophobicContact CZ-CB 4.09Å | ||
| 1255 | T | 28.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -112.1 | 117.4 | 176.5 | 52.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1256 | A | 31.9 | Very low | 33.1 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | trans | -171.5 | 163.7 | 164 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1254 | F1254-A1256 HydrophobicContact CD1-CB 4.43Å; F1254-A1256 HydrophobicContact CE1-CB 3.68Å; F1254-A1256 HydrophobicContact CZ-CB 4.09Å | ||
| 1257 | T | 33.5 | Very low | 33.6 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | 177.8 | 135.5 | -28.3 | -85.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1258 | I | 34.2 | Very low | 33.9 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -178.3 | 134.4 | 157.7 | -105.1 | 149.2 | 0 | 0 | 0 | 109.7 | ||||
| 1259 | R | 34.3 | Very low | 34.5 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | cis | -170.1 | 154.8 | -7.9 | -134.8 | -179.8 | -164.8 | 140.8 | -1.8 | 111.4 | ||||
| 1260 | R | 36 | Very low | 34.7 | Very low | 214 Ų | 214 | 136.6 Ų | 136.6 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 71.6 | 146.6 | 163.2 | -56.3 | 165.3 | -172.1 | 150.3 | -0.2 | 114.5 | ||||
| 1261 | R | 33.3 | Very low | 34.9 | Very low | 213 Ų | 213 | 139 Ų | 139 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | cis | -168.2 | 167.8 | 0.8 | -118 | -167 | 165.5 | -175.6 | -5.5 | 107.1 | ||||
| 1262 | L | 34.6 | Very low | 35.2 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 54% | 0.539 | 76% | 0.758 | S | S | . | * | cis | -167.8 | 136.3 | -6 | -175.8 | 61.8 | 0 | 0 | 0 | 110.9 | ||||
| 1263 | H | 35.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 62.8 | 150.3 | 161 | -65.9 | -13.2 | 0 | 0 | 0 | 119.5 | ||||
| 1264 | T | 37.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | cis | -155.7 | 157.3 | -15.4 | 15.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1265 | P | 40.6 | Very low | 36.4 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | trans | -114.3 | 172.3 | -166.6 | 42.1 | -34 | 0 | 0 | 0 | 116.8 | ||||
| 1266 | G | 33.7 | Very low | 36.8 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -161.1 | 121.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1267 | P | 42.6 | Very low | 37 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -126.2 | 174.2 | -170.2 | 43 | -32.5 | 0 | 0 | 0 | 116.3 | ||||
| 1268 | A | 39.7 | Very low | 37.1 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | 143.6 | 155.1 | 137.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1269 | P | 42.1 | Very low | 37 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -139.8 | -166 | -157.2 | 37.6 | -14.8 | 0 | 0 | 0 | 117.1 | ||||
| 1270 | R | 36 | Very low | 36.9 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | 125.3 | 156.3 | 144.2 | -64.3 | 172.3 | -170.2 | -122 | 6.1 | 117.5 | ||||
| 1271 | R | 36 | Very low | 36.8 | Very low | 216 Ų | 216 | 142.2 Ų | 142.2 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | 87.4 | 147.5 | 157.4 | -55.9 | -168 | -172 | -99.5 | 4.5 | 118.5 | ||||
| 1272 | L | 35.8 | Very low | 36.4 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | cis | -172.7 | 156 | -28 | -114.3 | 166.7 | 0 | 0 | 0 | 112 | ||||
| 1273 | A | 37.7 | Very low | 36.1 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 81.6 | 152.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1274 | P | 36.7 | Very low | 35.6 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -131.7 | -131.8 | -164 | 32.6 | -4.3 | 0 | 0 | 0 | 115.7 | ||||
| 1275 | P | 43.8 | Very low | 35 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | -128.9 | 175.5 | -110.1 | 42.3 | -24.7 | 0 | 0 | 0 | 117.7 | |||||
| 1276 | N | 37.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -170.1 | 144 | 152.8 | -115.6 | -58.2 | 0 | 0 | 0 | 118 | ||||
| 1277 | R | 36.1 | Very low | 33.9 | Very low | 236 Ų | 236 | 142.8 Ų | 142.8 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | 50.2 | 128.6 | 150.6 | -71.8 | 159.7 | -167.8 | -145.7 | -1.7 | 122.4 | ||||
| 1278 | G | 34.1 | Very low | 33.4 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -168.3 | 9.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1279 | R | 32.7 | Very low | 32.9 | Very low | 256 Ų | 256 | 140.1 Ų | 140.1 | 97% | 0.966 | 77% | 0.774 | S | S | * | * | trans | 75.6 | 150.9 | 173.7 | -145.8 | 176.9 | -165.2 | -180 | 3.6 | 116.9 | ||||
| 1280 | S | 31.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -124 | -177.1 | -167.9 | 37.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1281 | P | 34.6 | Very low | 32 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | cis | -123 | 177.8 | -4.5 | 41.6 | -27.1 | 0 | 0 | 0 | 113.7 | ||||
| 1282 | G | 26.1 | Very low | 31.9 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | cis | 156.3 | 125.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1283 | L | 27.2 | Very low | 31.7 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | trans | -153.6 | 162.2 | 172.7 | -136.7 | 132.8 | 0 | 0 | 0 | 110.1 | ||||
| 1284 | L | 25.6 | Very low | 31.5 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 88% | 0.88 | 73% | 0.727 | S | S | * | * | trans | -89.7 | 142 | -171.8 | -62.3 | 168.2 | 0 | 0 | 0 | 111.7 | ||||
| 1285 | C | 25.5 | Very low | 31.4 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 66% | 0.662 | 72% | 0.717 | S | S | * | * | trans | -134.9 | 102.6 | -165 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1286 | E | 26.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 120.6 Ų | 120.6 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | 46.4 | 92.5 | 123.9 | -57.4 | 148.6 | 164.4 | 0 | 0 | 118.8 | |||||
| 1287 | T | 24.9 | Very low | 31.4 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 89% | 0.89 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -150.8 | 48.7 | 156 | 35.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1288 | S | 31 | Very low | 31.5 | Very low | 88 Ų | 88 | 116.8 Ų | 116.8 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -147.3 | -33.7 | 174 | 48.5 | 0 | 0 | 0 | 0 | 115.9 | A1290 | S1288-A1290 PolarHBondContact O-N 2.96Š|
| 1289 | D | 29.1 | Very low | 31.7 | Very low | 82 Ų | 82 | 115 Ų | 115 | 44% | 0.439 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.3 | -27.2 | -161 | -53.5 | -67.9 | 0 | 0 | 0 | 114.6 | S1291 M1292 E1293 | D1289-S1291 PolarHBondContact O-N 3.34Å; D1289-M1292 WeakPolarHBondContact O-CA 3.38Å; D1289-M1292 WeakPolarHBondContact O-CB 3.24Å; D1289-M1292 PolarHBondContact O-N 2.81Å; D1289-E1293 PolarHBondContact O-N 3.44Å; D1289-E1293 VanDerWaalsContact O-N 3.1Å |
| 1290 | A | 27.9 | Very low | 32.2 | Very low | 77 Ų | 77 | 104.9 Ų | 104.9 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -22.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1288 | S1288-A1290 PolarHBondContact O-N 2.96Å |
| 1291 | S | 31.9 | Very low | 32.6 | Very low | 98 Ų | 98 | 104.5 Ų | 104.5 | 69% | 0.685 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -88.5 | -9.1 | 174.6 | -168.5 | 0 | 0 | 0 | 0 | 113.6 | D1289 | D1289-S1291 PolarHBondContact O-N 3.34Å |
| 1292 | M | 34.6 | Very low | 32.8 | Very low | 84 Ų | 84 | 100.6 Ų | 100.6 | 41% | 0.414 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -94.1 | -42.2 | 173.5 | -146.7 | -176 | -47.1 | 0 | 0 | 110.5 | D1289 A1294 L1295 D1296 | D1289-M1292 WeakPolarHBondContact O-CA 3.38Å; D1289-M1292 WeakPolarHBondContact O-CB 3.24Å; D1289-M1292 PolarHBondContact O-N 2.81Å; M1292-A1294 VanDerWaalsContact C-N 3.27Å; M1292-A1294 PolarHBondContact O-N 2.85Å; M1292-L1295 PolarHBondContact O-N 2.95Å; M1292-L1295 VanDerWaalsContact O-N 3.13Å; M1292-D1296 PolarHBondContact O-N 2.8Å |
| 1293 | E | 31.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -57.9 | -36.6 | 176.5 | -65.7 | 179.8 | 135.2 | 0 | 0 | 112.9 | D1289 L1295 D1296 | D1289-E1293 PolarHBondContact O-N 3.44Å; D1289-E1293 VanDerWaalsContact O-N 3.1Å; E1293-L1295 PolarHBondContact O-N 3.16Å; E1293-D1296 PolarHBondContact O-N 3.05Å |
| 1294 | A | 32.3 | Very low | 34.4 | Very low | 66 Ų | 66 | 92.4 Ų | 92.4 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -24.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1292 | M1292-A1294 VanDerWaalsContact C-N 3.27Å; M1292-A1294 PolarHBondContact O-N 2.85Å |
| 1295 | L | 35.3 | Very low | 35.2 | Very low | 120 Ų | 120 | 85.4 Ų | 85.4 | 63% | 0.628 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -96.6 | -13.5 | 178.5 | -70.2 | 172 | 0 | 0 | 0 | 113.3 | M1292 E1293 Q1297 | M1292-L1295 PolarHBondContact O-N 2.95Å; M1292-L1295 VanDerWaalsContact O-N 3.13Å; E1293-L1295 PolarHBondContact O-N 3.16Å; L1295-Q1297 VanDerWaalsContact C-N 3.32Å |
| 1296 | D | 41.7 | Very low | 35.7 | Very low | 32 Ų | 32 | 81.6 Ų | 81.6 | 17% | 0.171 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -72.6 | -27.5 | 174.9 | -85.8 | -40.4 | 0 | 0 | 0 | 112 | R147 M1292 E1293 E1298 Q1299 D1300 | R147-D1296 IonicContact CZ-OD1 2.65Å; R147-D1296 IonicContact NE-OD1 2.75Å; R147-D1296 IonicContact NH2-OD1 3.62Å; R147-D1296 PolarHBondContact NH2-OD1 3.34Å; R147-D1296 IonicContact NH2-OD2 3.44Å; R147-D1296 PolarHBondContact NH2-OD2 2.86Å; M1292-D1296 PolarHBondContact O-N 2.8Å; E1293-D1296 PolarHBondContact O-N 3.05Å; D1296-E1298 PolarHBondContact O-N 3.01Å; D1296-Q1299 PolarHBondContact O-N 3.43Å; D1296-D1300 WeakPolarHBondContact O-CB 3.31Å; D1296-D1300 PolarHBondContact O-N 3.21Å |
| 1297 | Q | 38.4 | Very low | 36.4 | Very low | 130 Ų | 130 | 74.5 Ų | 74.5 | 61% | 0.607 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -54.3 | -45.3 | -171.3 | -66.1 | -170.4 | 3.7 | 0 | 0 | 114.3 | L1295 Q1299 D1300 I1301 | L1295-Q1297 VanDerWaalsContact C-N 3.32Å; Q1297-Q1299 PolarHBondContact O-N 2.66Å; Q1297-D1300 PolarHBondContact O-N 2.77Å; Q1297-I1301 HydrophobicContact CB-CD1 4.49Å; Q1297-I1301 VanDerWaalsContact O-CB 3.25Å; Q1297-I1301 WeakPolarHBondContact O-CB 3.46Å; Q1297-I1301 WeakPolarHBondContact O-CD1 3.48Å; Q1297-I1301 WeakPolarHBondContact O-CG1 3.47Å; Q1297-I1301 PolarHBondContact O-N 2.82Å |
| 1298 | E | 38.8 | Very low | 37.2 | Very low | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | -177.7 | -68.4 | -171.3 | 148 | 0 | 0 | 113.3 | D1296 L1302 | D1296-E1298 PolarHBondContact O-N 3.01Å; E1298-L1302 PolarHBondContact O-N 3.33Å |
| 1299 | Q | 38.9 | Very low | 37.5 | Very low | 41 Ų | 41 | 73.7 Ų | 73.7 | 19% | 0.192 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -81 | -32.1 | 178.8 | -67.3 | -166.3 | -80.5 | 0 | 0 | 112.2 | K108 D1296 Q1297 L1302 L1303 | K108-Q1299 VanDerWaalsContact NZ-CD 3.35Å; K108-Q1299 VanDerWaalsContact NZ-OE1 3.13Å; D1296-Q1299 PolarHBondContact O-N 3.43Å; Q1297-Q1299 PolarHBondContact O-N 2.66Å; Q1299-L1302 PolarHBondContact O-N 2.67Å; Q1299-L1303 WeakPolarHBondContact O-CB 3.41Å; Q1299-L1303 WeakPolarHBondContact O-CG 3.31Å; Q1299-L1303 PolarHBondContact O-N 2.87Å |
| 1300 | D | 42.3 | Very low | 37.9 | Very low | 42 Ų | 42 | 70.9 Ų | 70.9 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -71.4 | -38.4 | 174.2 | -112.6 | 19.7 | 0 | 0 | 0 | 111.8 | K185 K189 D1296 Q1297 L1302 L1303 D1304 | K185-D1300 WeakPolarHBondContact CE-OD2 3.42Å; K185-D1300 IonicContact NZ-OD2 3.18Å; K185-D1300 PolarHBondContact NZ-OD2 2.75Å; K189-D1300 VanDerWaalsContact NZ-CG 3.26Å; K189-D1300 IonicContact NZ-OD1 2.71Å; K189-D1300 PolarHBondContact NZ-OD1 3.43Å; K189-D1300 IonicContact NZ-OD2 2.65Å; D1296-D1300 WeakPolarHBondContact O-CB 3.31Å; D1296-D1300 PolarHBondContact O-N 3.21Å; Q1297-D1300 PolarHBondContact O-N 2.77Å; D1300-L1302 VanDerWaalsContact C-N 3.3Å; D1300-L1302 PolarHBondContact O-N 2.7Å; D1300-L1303 PolarHBondContact O-N 2.94Å; D1300-D1304 WeakPolarHBondContact O-CA 3.33Å; D1300-D1304 WeakPolarHBondContact O-CB 3.2Å; D1300-D1304 PolarHBondContact O-N 3.13Å |
| 1301 | I | 40.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 68.8 Ų | 68.8 | 54% | 0.538 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 171.2 | -75.1 | 163.2 | 0 | 0 | 0 | 110.5 | Q1297 A1305 | Q1297-I1301 HydrophobicContact CB-CD1 4.49Å; Q1297-I1301 VanDerWaalsContact O-CB 3.25Å; Q1297-I1301 WeakPolarHBondContact O-CB 3.46Å; Q1297-I1301 WeakPolarHBondContact O-CD1 3.48Å; Q1297-I1301 WeakPolarHBondContact O-CG1 3.47Å; Q1297-I1301 PolarHBondContact O-N 2.82Å; I1301-A1305 WeakPolarHBondContact O-CB 3.44Å; I1301-A1305 PolarHBondContact O-N 3.14Å |
| 1302 | L | 38.7 | Very low | 38.3 | Very low | 46 Ų | 46 | 66.8 Ų | 66.8 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.9 | -45.9 | -175.2 | -147.7 | 168.3 | 0 | 0 | 0 | 111.5 | N1202 M1205 E1298 Q1299 D1300 C1306 | N1202-L1302 VanDerWaalsContact OD1-CD2 3.3Å; N1202-L1302 WeakPolarHBondContact OD1-CD2 3.33Å; N1202-L1302 WeakPolarHBondContact OD1-CG 3.32Å; M1205-L1302 HydrophobicContact CE-CD2 4.45Å; M1205-L1302 HydrophobicContact CE-CG 4.22Å; E1298-L1302 PolarHBondContact O-N 3.33Å; Q1299-L1302 PolarHBondContact O-N 2.67Å; D1300-L1302 VanDerWaalsContact C-N 3.3Å; D1300-L1302 PolarHBondContact O-N 2.7Å; L1302-C1306 PolarHBondContact O-N 3.06Å; L1302-C1306 PolarHBondContact O-SG 3.25Å |
| 1303 | L | 43.6 | Very low | 38.1 | Very low | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 177.3 | -72.2 | 162.3 | 0 | 0 | 0 | 112.9 | K189 Q1299 D1300 C1306 L1307 | K189-L1303 HydrophobicContact CB-CD1 4.29Å; K189-L1303 HydrophobicContact CD-CB 3.89Å; K189-L1303 HydrophobicContact CD-CD1 3.95Å; K189-L1303 HydrophobicContact CD-CG 4.47Å; Q1299-L1303 WeakPolarHBondContact O-CB 3.41Å; Q1299-L1303 WeakPolarHBondContact O-CG 3.31Å; Q1299-L1303 PolarHBondContact O-N 2.87Å; D1300-L1303 PolarHBondContact O-N 2.94Å; L1303-C1306 WeakPolarHBondContact O-CB 3.36Å; L1303-C1306 PolarHBondContact O-N 3.27Å; L1303-L1307 WeakPolarHBondContact O-CD1 3.06Å; L1303-L1307 PolarHBondContact O-N 3.33Å |
| 1304 | D | 43 | Very low | 37.9 | Very low | 35 Ų | 35 | 69.2 Ų | 69.2 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -76.4 | -24.3 | -177.9 | -160.6 | 74 | 0 | 0 | 0 | 112.5 | Y242 D1300 L1307 R1308 | Y242-D1304 PolarHBondContact OH-OD1 3.11Å; D1300-D1304 WeakPolarHBondContact O-CA 3.33Å; D1300-D1304 WeakPolarHBondContact O-CB 3.2Å; D1300-D1304 PolarHBondContact O-N 3.13Å; D1304-L1307 WeakPolarHBondContact O-CB 3.44Å; D1304-L1307 PolarHBondContact O-N 3.37Å; D1304-R1308 PolarHBondContact O-N 2.74Å; D1304-R1308 IonicContact OD2-CZ 2.78Å; D1304-R1308 IonicContact OD2-NE 2.68Å; D1304-R1308 PolarHBondContact OD2-NE 3.25Å; D1304-R1308 IonicContact OD2-NH2 2.71Å; D1304-R1308 PolarHBondContact OD2-NH2 2.86Å |
| 1305 | A | 41.7 | Very low | 37.7 | Very low | 22 Ų | 22 | 73.6 Ų | 73.6 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1205 I1301 L1307 R1308 A1309 | M1205-A1305 HydrophobicContact CE-CB 3.58Å; M1205-A1305 HydrophobicContact CG-CB 4.01Å; M1205-A1305 HydrophobicContact SD-CB 3.63Å; I1301-A1305 WeakPolarHBondContact O-CB 3.44Å; I1301-A1305 PolarHBondContact O-N 3.14Å; A1305-L1307 VanDerWaalsContact C-N 3.27Å; A1305-L1307 PolarHBondContact O-N 3.47Å; A1305-R1308 PolarHBondContact O-N 3.49Å; A1305-A1309 VanDerWaalsContact O-CB 3.3Å; A1305-A1309 WeakPolarHBondContact O-CB 3.5Å; A1305-A1309 PolarHBondContact O-N 3.39Å |
| 1306 | C | 37.4 | Very low | 37.3 | Very low | 17 Ų | 17 | 71.5 Ų | 71.5 | 12% | 0.115 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 172.9 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | L1201 L1302 L1303 S1310 | L1201-C1306 HydrophobicContact CD2-CB 4.45Å; L1302-C1306 PolarHBondContact O-N 3.06Å; L1302-C1306 PolarHBondContact O-SG 3.25Å; L1303-C1306 WeakPolarHBondContact O-CB 3.36Å; L1303-C1306 PolarHBondContact O-N 3.27Å; C1306-S1310 PolarHBondContact O-OG 2.87Å; C1306-S1310 VanDerWaalsContact O-OG 3.1Å |
| 1307 | L | 41 | Very low | 36.7 | Very low | 7 Ų | 7 | 79.1 Ų | 79.1 | 4% | 0.037 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.8 | -51.4 | 173.3 | -84.9 | 142.8 | 0 | 0 | 0 | 112 | K189 L192 Y242 T245 L1303 D1304 A1305 A1309 S1310 | K189-L1307 HydrophobicContact CG-CD1 4.5Å; L192-L1307 HydrophobicContact CD2-CD1 4.4Å; L192-L1307 HydrophobicContact CD2-CD2 3.4Å; L192-L1307 VanDerWaalsContact CD2-CD2 3.4Å; L192-L1307 HydrophobicContact CD2-CG 3.78Å; Y242-L1307 HydrophobicContact CD1-CD1 3.76Å; Y242-L1307 HydrophobicContact CD1-CD2 3.45Å; Y242-L1307 VanDerWaalsContact CD1-CD2 3.45Å; Y242-L1307 HydrophobicContact CD1-CG 4.22Å; Y242-L1307 HydrophobicContact CE1-CD1 3.27Å; Y242-L1307 HydrophobicContact CE1-CD2 3.64Å; Y242-L1307 HydrophobicContact CE1-CG 3.98Å; Y242-L1307 HydrophobicContact CG-CD2 4.48Å; T245-L1307 HydrophobicContact CG2-CD2 4.43Å; L1303-L1307 WeakPolarHBondContact O-CD1 3.06Å; L1303-L1307 PolarHBondContact O-N 3.33Å; D1304-L1307 WeakPolarHBondContact O-CB 3.44Å; D1304-L1307 PolarHBondContact O-N 3.37Å; A1305-L1307 VanDerWaalsContact C-N 3.27Å; A1305-L1307 PolarHBondContact O-N 3.47Å; L1307-A1309 VanDerWaalsContact C-N 3.28Å; L1307-A1309 PolarHBondContact O-N 3.23Å; L1307-S1310 WeakPolarHBondContact O-CA 3.08Å; L1307-S1310 WeakPolarHBondContact O-CB 3.44Å; L1307-S1310 PolarHBondContact O-N 2.82Å; L1307-S1310 PolarHBondContact O-OG 2.85Å |
| 1308 | R | 41 | Very low | 36.2 | Very low | 145 Ų | 145 | 76.9 Ų | 76.9 | 55% | 0.547 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.3 | -25.1 | 177.6 | -75.9 | -176.6 | -100 | 153.8 | -8.8 | 114 | D1304 A1305 S1310 T1311 | D1304-R1308 PolarHBondContact O-N 2.74Å; D1304-R1308 IonicContact OD2-CZ 2.78Å; D1304-R1308 IonicContact OD2-NE 2.68Å; D1304-R1308 PolarHBondContact OD2-NE 3.25Å; D1304-R1308 IonicContact OD2-NH2 2.71Å; D1304-R1308 PolarHBondContact OD2-NH2 2.86Å; A1305-R1308 PolarHBondContact O-N 3.49Å; R1308-S1310 PolarHBondContact O-N 2.78Å; R1308-T1311 PolarHBondContact O-N 3.37Å; R1308-T1311 PolarHBondContact O-OG1 3.21Å |
| 1309 | A | 38.7 | Very low | 35.8 | Very low | 71 Ų | 71 | 73.8 Ų | 73.8 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113 | A1305 L1307 T1311 | A1305-A1309 VanDerWaalsContact O-CB 3.3Å; A1305-A1309 WeakPolarHBondContact O-CB 3.5Å; A1305-A1309 PolarHBondContact O-N 3.39Å; L1307-A1309 VanDerWaalsContact C-N 3.28Å; L1307-A1309 PolarHBondContact O-N 3.23Å; A1309-T1311 VanDerWaalsContact C-N 3.3Å |
| 1310 | S | 37.1 | Very low | 35.7 | Very low | 23 Ų | 23 | 78.1 Ų | 78.1 | 16% | 0.161 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.6 | 175.2 | -49.6 | 0 | 0 | 0 | 0 | 113.6 | K249 C1306 L1307 R1308 | K249-S1310 VanDerWaalsContact CE-OG 3.29Å; K249-S1310 WeakPolarHBondContact CE-OG 3.4Å; K249-S1310 PolarHBondContact NZ-OG 2.94Å; C1306-S1310 PolarHBondContact O-OG 2.87Å; C1306-S1310 VanDerWaalsContact O-OG 3.1Å; L1307-S1310 WeakPolarHBondContact O-CA 3.08Å; L1307-S1310 WeakPolarHBondContact O-CB 3.44Å; L1307-S1310 PolarHBondContact O-N 2.82Å; L1307-S1310 PolarHBondContact O-OG 2.85Å; R1308-S1310 PolarHBondContact O-N 2.78Å |
| 1311 | T | 32.8 | Very low | 35.1 | Very low | 33 Ų | 33 | 80 Ų | 80 | 20% | 0.202 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -129.5 | 78.6 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | E288 R1308 A1309 S1313 | E288-T1311 HydrophobicContact CG-CG2 4.34Å; R1308-T1311 PolarHBondContact O-N 3.37Å; R1308-T1311 PolarHBondContact O-OG1 3.21Å; A1309-T1311 VanDerWaalsContact C-N 3.3Å; T1311-S1313 PolarHBondContact O-N 3.42Å |
| 1312 | P | 35.1 | Very low | 34.5 | Very low | 55 Ų | 55 | 86.8 Ų | 86.8 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | trans | -69.5 | 129.6 | -171.4 | 19.1 | -24.3 | 0 | 0 | 0 | 113.2 | S316 | S316-P1312 WeakPolarHBondContact CB-O 3.14Å; S316-P1312 VanDerWaalsContact OG-CD 3.27Å; S316-P1312 WeakPolarHBondContact OG-CD 3.29Å; S316-P1312 VanDerWaalsContact OG-CG 3.28Å; S316-P1312 WeakPolarHBondContact OG-CG 3.44Å; S316-P1312 PolarHBondContact OG-O 2.88Å | ||
| 1313 | S | 29.4 | Very low | 34.1 | Very low | 124 Ų | 124 | 96.4 Ų | 96.4 | 87% | 0.867 | 55% | 0.554 | S | S | * | * | trans | -110.3 | 151.5 | 175.3 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | T1311 | T1311-S1313 PolarHBondContact O-N 3.42Š| ||
| 1314 | I | 27.1 | Very low | 33.8 | Very low | 137 Ų | 137 | 101.2 Ų | 101.2 | 70% | 0.703 | 59% | 0.585 | S | S | * | * | trans | -90.7 | 132.1 | -153.9 | -64.7 | 165.1 | 0 | 0 | 0 | 113.2 | ||||
| 1315 | N | 28.6 | Very low | 33.5 | Very low | 159 Ų | 159 | 105 Ų | 105 | 85% | 0.85 | 61% | 0.612 | S | S | * | * | trans | -155 | 137.7 | 139 | -102.1 | -45.1 | 0 | 0 | 0 | 114.4 | ||||
| 1316 | S | 27.4 | Very low | 33.1 | Very low | 76 Ų | 76 | 109.1 Ų | 109.1 | 53% | 0.531 | 64% | 0.637 | S | S | . | * | trans | -55.4 | 149.2 | -170.7 | 52.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1317 | H | 29 | Very low | 32.7 | Very low | 192 Ų | 192 | 118 Ų | 118 | 89% | 0.889 | 67% | 0.673 | S | S | * | * | 178.4 | 130.1 | 99.4 | -86.5 | -61.1 | 0 | 0 | 0 | 113.7 | |||||
| 1318 | G | 28.3 | Very low | 32.2 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | 144.3 | 131.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1319 | A | 29.2 | Very low | 31.7 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | trans | -163.1 | -179.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1320 | P | 37 | Very low | 31.1 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | cis | -133.3 | -179.7 | -6.8 | 42.1 | -26.5 | 0 | 0 | 0 | 114.5 | ||||
| 1321 | G | 30 | Very low | 30.6 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 166.4 | 87.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1322 | R | 29.6 | Very low | 30.3 | Very low | 247 Ų | 247 | 148.2 Ų | 148.2 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -85.1 | 144.1 | 171.7 | -97.5 | -173.3 | 169.4 | -156.6 | -2.2 | 113.1 | ||||
| 1323 | R | 30 | Very low | 29.9 | Very low | 248 Ų | 248 | 152.1 Ų | 152.1 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | -174.5 | 137.4 | 118.4 | -99.2 | 170.1 | -150.7 | -160.8 | 7.1 | 113.2 | |||||
| 1324 | V | 36.7 | Very low | 30 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -139.4 | 133.4 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1325 | P | 35.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 155.8 Ų | 155.8 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | -160.8 | -168.9 | 115.1 | 41.9 | -22 | 0 | 0 | 0 | 114.5 | |||||
| 1326 | P | 34.3 | Very low | 31.3 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -129.4 | 165.6 | -37.5 | 26.4 | -6.7 | 0 | 0 | 0 | 114.6 | ||||
| 1327 | K | 29.2 | Very low | 32.9 | Very low | 204 Ų | 204 | 149 Ų | 149 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | 22 | 126.7 | 146.6 | -64.3 | 178.5 | 175.1 | 176.9 | 0 | 120 | ||||
| 1328 | D | 29.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | trans | -129.3 | 169.2 | 143.6 | -146.6 | -24 | 0 | 0 | 0 | 111.5 | ||||
| 1329 | R | 30.2 | Very low | 36.5 | Very low | 231 Ų | 231 | 139.6 Ų | 139.6 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 145.1 | -161.7 | -80 | 168.9 | 151.3 | 156.5 | -9.8 | 114.9 | ||
| 1330 | R | 26.7 | Very low | 38.3 | Very low | 250 Ų | 250 | 137 Ų | 137 | 94% | 0.943 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 132.9 | 165.6 | -62.9 | 178.6 | 178.8 | 171.1 | -0.3 | 111.1 | ||
| 1331 | R | 26.5 | Very low | 39.7 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 62% | 0.619 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 143.4 | 146.4 | -55.9 | -171.7 | -157.1 | 176.7 | 8.3 | 107.8 | L415 S416 | L415-R1331 PolarHBondContact O-NH1 3.39Å; L415-R1331 PolarHBondContact O-NH2 3.48Å; S416-R1331 PolarHBondContact O-NH2 2.99Å |
| 1332 | P | 27.3 | Very low | 41.2 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | trans | -80.4 | -173.1 | 174 | 35.8 | -36.4 | 0 | 0 | 0 | 111.6 | ||||
| 1333 | T | 27.2 | Very low | 42.6 | Very low | 138 Ų | 138 | 120.8 Ų | 120.8 | 85% | 0.847 | 58% | 0.583 | S | S | * | * | trans | 63.3 | 69.5 | 170.1 | 62.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1334 | D | 30.5 | Very low | 44 | Very low | 151 Ų | 151 | 115.3 Ų | 115.3 | 81% | 0.807 | 57% | 0.571 | S | S | * | * | S | Bend | -124.2 | 151.9 | 117.1 | -140.4 | -26.9 | 0 | 0 | 0 | 108.4 | S1336 | D1334-S1336 VanDerWaalsContact C-N 3.25Å; D1334-S1336 PolarHBondContact O-N 3.04Å | |
| 1335 | R | 38.1 | Very low | 44.8 | Very low | 187 Ų | 187 | 114.9 Ų | 114.9 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | trans | -80 | 72 | -176.7 | -103.4 | -173.6 | 170.4 | 180 | -3.2 | 110.5 | F369 R1337 | F369-R1335 HydrophobicContact CZ-CB 4.44Å; R1335-R1337 PolarHBondContact O-N 2.97Å | ||
| 1336 | S | 46.1 | Very low | 45.3 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | trans | -52.6 | 131.1 | 175.9 | 51.2 | 0 | 0 | 0 | 0 | 112 | D1334 F1338 | D1334-S1336 VanDerWaalsContact C-N 3.25Å; D1334-S1336 PolarHBondContact O-N 3.04Å; S1336-F1338 VanDerWaalsContact OG-CZ 3.3Å; S1336-F1338 WeakPolarHBondContact OG-CZ 3.5Å | ||
| 1337 | R | 59.7 | Low | 45.6 | Very low | 24 Ų | 24 | 119.6 Ų | 119.6 | 9% | 0.091 | 56% | 0.562 | C | S | . | * | trans | -73.6 | 140.4 | 173.8 | -172.3 | 170.9 | -179.6 | -178.7 | -4.2 | 109.2 | D258 Y261 D262 D265 S366 R1335 | D258-R1337 PolarHBondContact O-NH1 3.13Å; D258-R1337 IonicContact OD1-NH1 3.3Å; Y261-R1337 HydrophobicContact CD2-CB 3.94Å; Y261-R1337 HydrophobicContact CD2-CG 3.66Å; Y261-R1337 HydrophobicContact CE2-CB 4.11Å; Y261-R1337 HydrophobicContact CE2-CG 4.16Å; Y261-R1337 VanDerWaalsContact CE2-O 3.32Å; Y261-R1337 WeakPolarHBondContact CE2-O 3.29Å; Y261-R1337 HydrophobicContact CG-CG 4.05Å; Y261-R1337 PolarHBondContact O-NH2 3.43Å; Y261-R1337 PolarHBondContact OH-O 3.44Å; D262-R1337 IonicContact OD1-CZ 3.55Å; D262-R1337 VanDerWaalsContact OD1-CZ 3.25Å; D262-R1337 IonicContact OD1-NH1 2.65Å; D262-R1337 PolarHBondContact OD1-NH1 3.45Å; D262-R1337 IonicContact OD1-NH2 3.62Å; D262-R1337 PolarHBondContact OD1-NH2 3.33Å; D265-R1337 IonicContact OD2-CZ 3.81Å; D265-R1337 IonicContact OD2-NE 2.7Å; D265-R1337 IonicContact OD2-NH2 2.76Å; D265-R1337 PolarHBondContact OD2-NH2 3.22Å; S366-R1337 PolarHBondContact OG-NH1 3.23Å; R1335-R1337 PolarHBondContact O-N 2.97Å | ||
| 1338 | F | 64 | Low | 46.4 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 32% | 0.316 | 54% | 0.538 | S | S | . | . | trans | -124.7 | 157.1 | 172.4 | -60.8 | -58.8 | 0 | 0 | 0 | 109.1 | D304 R368 S1336 R1342 | D304-F1338 VanDerWaalsContact O-CD1 3.23Å; D304-F1338 WeakPolarHBondContact O-CD1 3.4Å; D304-F1338 WeakPolarHBondContact O-CE1 3.33Å; D304-F1338 VanDerWaalsContact OD1-CA 3.28Å; D304-F1338 WeakPolarHBondContact OD1-CA 3.27Å; D304-F1338 WeakPolarHBondContact OD1-CB 3.28Å; R368-F1338 PolarHBondContact NH1-O 2.94Å; S1336-F1338 VanDerWaalsContact OG-CZ 3.3Å; S1336-F1338 WeakPolarHBondContact OG-CZ 3.5Å; F1338-R1342 HydrophobicContact CB-CB 4.23Å; F1338-R1342 HydrophobicContact CB-CG 4.12Å; F1338-R1342 HydrophobicContact CG-CG 4.28Å | ||
| 1339 | S | 68.5 | Low | 47.3 | Very low | 3 Ų | 3 | 108.6 Ų | 108.6 | 2% | 0.021 | 52% | 0.519 | C | S | . | . | trans | -53.1 | 150.3 | 172.1 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | Y261 D304 R1341 R1342 T1343 | Y261-S1339 VanDerWaalsContact CE1-N 3.33Å; D304-S1339 PolarHBondContact OD1-N 3.37Å; D304-S1339 PolarHBondContact OD1-OG 3.48Å; D304-S1339 WeakPolarHBondContact OD2-CB 3.44Å; D304-S1339 PolarHBondContact OD2-OG 3.25Å; S1339-R1341 PolarHBondContact O-N 3.46Å; S1339-R1341 PolarHBondContact OG-N 3.17Å; S1339-R1342 PolarHBondContact O-N 2.83Å; S1339-R1342 PolarHBondContact OG-N 2.67Å; S1339-T1343 PolarHBondContact O-N 3.44Å; S1339-T1343 PolarHBondContact O-OG1 2.85Å | ||
| 1340 | V | 67.7 | Low | 48.2 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 26% | 0.261 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -49.6 | -40.7 | 168.1 | 162.4 | 0 | 0 | 0 | 0 | 111 | D265 T1343 L1344 | D265-V1340 HydrophobicContact CB-CG2 4.28Å; D265-V1340 WeakPolarHBondContact OD1-CG2 3.1Å; D265-V1340 PolarHBondContact OD1-N 3.01Å; V1340-T1343 WeakPolarHBondContact O-CB 3.44Å; V1340-T1343 PolarHBondContact O-N 3.13Å; V1340-L1344 HydrophobicContact CG1-CD1 3.75Å; V1340-L1344 HydrophobicContact CG1-CG 4.39Å; V1340-L1344 WeakPolarHBondContact O-CG 3.33Å; V1340-L1344 PolarHBondContact O-N 3.42Å |
| 1341 | R | 67.5 | Low | 49.6 | Very low | 23 Ų | 23 | 97.9 Ų | 97.9 | 9% | 0.087 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 178.5 | -60.5 | -172.5 | -175.5 | -179.6 | 10.1 | 113.7 | E268 Q273 E297 S1339 T1343 L1344 N1345 | E268-R1341 HydrophobicContact CG-CG 4.48Å; E268-R1341 IonicContact OE1-CZ 3.98Å; E268-R1341 VanDerWaalsContact OE1-CZ 3.26Å; E268-R1341 IonicContact OE1-NE 3.49Å; E268-R1341 PolarHBondContact OE1-NE 3.15Å; E268-R1341 VanDerWaalsContact OE1-NE 3.08Å; E268-R1341 IonicContact OE1-NH2 2.69Å; E268-R1341 PolarHBondContact OE1-NH2 2.97Å; E268-R1341 IonicContact OE2-CZ 3.48Å; E268-R1341 IonicContact OE2-NE 2.6Å; E268-R1341 PolarHBondContact OE2-NE 3.42Å; E268-R1341 IonicContact OE2-NH2 2.73Å; Q273-R1341 VanDerWaalsContact CD-CZ 3.41Å; E297-R1341 IonicContact OE1-CZ 2.7Å; E297-R1341 VanDerWaalsContact OE1-CZ 3.31Å; E297-R1341 IonicContact OE1-NH1 2.85Å; E297-R1341 PolarHBondContact OE1-NH1 3.03Å; E297-R1341 IonicContact OE1-NH2 3.17Å; E297-R1341 PolarHBondContact OE1-NH2 3.48Å; E297-R1341 IonicContact OE2-NH1 3.52Å; E297-R1341 PolarHBondContact OE2-NH1 3.38Å; S1339-R1341 PolarHBondContact O-N 3.46Å; S1339-R1341 PolarHBondContact OG-N 3.17Å; R1341-T1343 PolarHBondContact O-N 3.45Å; R1341-L1344 PolarHBondContact O-N 3.46Å; R1341-L1344 VanDerWaalsContact O-N 3.13Å; R1341-N1345 WeakPolarHBondContact O-CB 3.25Å; R1341-N1345 PolarHBondContact O-N 3.03Å |
| 1342 | R | 60.8 | Low | 51.2 | Low | 43 Ų | 43 | 94.1 Ų | 94.1 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -67.2 | -28.8 | 177.8 | 175.4 | 167.8 | 173.3 | 133.6 | -21.1 | 112.5 | D304 F1338 S1339 L1344 K1346 | D304-R1342 VanDerWaalsContact CB-CD 3.47Å; D304-R1342 PolarHBondContact O-NE 2.76Å; D304-R1342 PolarHBondContact O-NH1 2.7Å; D304-R1342 PolarHBondContact O-NH2 3.29Å; D304-R1342 WeakPolarHBondContact OD1-CD 2.95Å; D304-R1342 VanDerWaalsContact OD2-CB 3.27Å; D304-R1342 WeakPolarHBondContact OD2-CB 3.41Å; F1338-R1342 HydrophobicContact CB-CB 4.23Å; F1338-R1342 HydrophobicContact CB-CG 4.12Å; F1338-R1342 HydrophobicContact CG-CG 4.28Å; S1339-R1342 PolarHBondContact O-N 2.83Å; S1339-R1342 PolarHBondContact OG-N 2.67Å; R1342-L1344 VanDerWaalsContact C-N 3.32Å; R1342-K1346 HydrophobicContact CG-CD 4.46Å; R1342-K1346 PolarHBondContact O-N 3.01Å |
| 1343 | T | 58.2 | Low | 52.6 | Low | 56 Ų | 56 | 91.9 Ų | 91.9 | 34% | 0.344 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 172.6 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | R368 S1339 V1340 R1341 | R368-T1343 PolarHBondContact NH2-OG1 2.85Å; S1339-T1343 PolarHBondContact O-N 3.44Å; S1339-T1343 PolarHBondContact O-OG1 2.85Å; V1340-T1343 WeakPolarHBondContact O-CB 3.44Å; V1340-T1343 PolarHBondContact O-N 3.13Å; R1341-T1343 PolarHBondContact O-N 3.45Å |
| 1344 | L | 59 | Low | 54.3 | Low | 133 Ų | 133 | 89.7 Ų | 89.7 | 70% | 0.696 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -86.9 | -39.1 | 178.5 | -67.2 | 169.3 | 0 | 0 | 0 | 113 | V1340 R1341 R1342 | V1340-L1344 HydrophobicContact CG1-CD1 3.75Å; V1340-L1344 HydrophobicContact CG1-CG 4.39Å; V1340-L1344 WeakPolarHBondContact O-CG 3.33Å; V1340-L1344 PolarHBondContact O-N 3.42Å; R1341-L1344 PolarHBondContact O-N 3.46Å; R1341-L1344 VanDerWaalsContact O-N 3.13Å; R1342-L1344 VanDerWaalsContact C-N 3.32Å |
| 1345 | N | 54.9 | Low | 56 | Low | 130 Ų | 130 | 85 Ų | 85 | 70% | 0.695 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -78.8 | -27 | -173.1 | -74.9 | -14.9 | 0 | 0 | 0 | 113.9 | R1341 | R1341-N1345 WeakPolarHBondContact O-CB 3.25Å; R1341-N1345 PolarHBondContact O-N 3.03Å |
| 1346 | K | 46.2 | Very low | 57.1 | Low | 124 Ų | 124 | 80 Ų | 80 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -87.9 | 113.9 | 167.9 | -70.8 | -174.8 | 179.3 | 178.8 | 0 | 108.2 | R1342 L1348 | R1342-K1346 HydrophobicContact CG-CD 4.46Å; R1342-K1346 PolarHBondContact O-N 3.01Å; K1346-L1348 PolarHBondContact O-N 3.44Å |
| 1347 | K | 40.4 | Very low | 57.8 | Low | 200 Ų | 200 | 81.8 Ų | 81.8 | 87% | 0.87 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 118.2 | 165.3 | -68.3 | -173.9 | 178.3 | -174.2 | 0 | 108 | ||
| 1348 | L | 44.8 | Very low | 58.1 | Low | 75 Ų | 75 | 87.2 Ų | 87.2 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 150.9 | 163.7 | -79.5 | 129 | 0 | 0 | 0 | 108.9 | K1346 D1352 I1353 I1356 | K1346-L1348 PolarHBondContact O-N 3.44Å; L1348-D1352 HydrophobicContact CB-CB 3.95Å; L1348-D1352 HydrophobicContact CD2-CB 3.83Å; L1348-I1353 HydrophobicContact CB-CD1 4.34Å; L1348-I1353 HydrophobicContact CB-CG1 3.67Å; L1348-I1353 WeakPolarHBondContact O-CD1 3.37Å; L1348-I1356 HydrophobicContact CD1-CD1 4.18Å; L1348-I1356 HydrophobicContact CD2-CD1 4.02Å |
| 1349 | A | 48.6 | Very low | 58.2 | Low | 53 Ų | 53 | 87.1 Ų | 87.1 | 44% | 0.438 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | D1351 D1352 I1353 | A1349-D1351 PolarHBondContact O-N 2.77Å; A1349-D1352 HydrophobicContact CB-CB 4.35Å; A1349-D1352 WeakPolarHBondContact CB-OD2 3.49Å; A1349-D1352 PolarHBondContact N-OD2 3.19Å; A1349-D1352 WeakPolarHBondContact O-CA 3.39Å; A1349-D1352 WeakPolarHBondContact O-CB 3.2Å; A1349-D1352 PolarHBondContact O-N 3.29Å; A1349-I1353 PolarHBondContact O-N 2.83Å |
| 1350 | E | 49.4 | Very low | 58 | Low | 141 Ų | 141 | 92 Ų | 92 | 66% | 0.659 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.8 | -24.7 | -174.5 | -150.6 | -174.5 | -115.2 | 0 | 0 | 112.1 | K1354 | E1350-K1354 VanDerWaalsContact O-CD 3.29Å; E1350-K1354 WeakPolarHBondContact O-CD 3.28Å; E1350-K1354 WeakPolarHBondContact O-CE 3.37Å; E1350-K1354 WeakPolarHBondContact O-CG 3.13Å; E1350-K1354 PolarHBondContact O-N 3.24Å; E1350-K1354 VanDerWaalsContact O-N 3.08Å; E1350-K1354 IonicContact OE2-NZ 2.88Å; E1350-K1354 PolarHBondContact OE2-NZ 2.88Å |
| 1351 | D | 55.8 | Low | 57.7 | Low | 115 Ų | 115 | 95.1 Ų | 95.1 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -82.2 | -31.4 | 174.2 | -53.1 | -37.7 | 0 | 0 | 0 | 113.3 | A1349 K1354 A1355 | A1349-D1351 PolarHBondContact O-N 2.77Å; D1351-K1354 PolarHBondContact O-N 2.65Å; D1351-K1354 IonicContact OD1-NZ 3.03Å; D1351-K1354 PolarHBondContact OD1-NZ 3.5Å; D1351-K1354 VanDerWaalsContact OD1-NZ 3.14Å; D1351-A1355 WeakPolarHBondContact O-CB 3.25Å; D1351-A1355 PolarHBondContact O-N 3.43Å |
| 1352 | D | 59.7 | Low | 57.4 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 168.8 | -70.4 | -43.4 | 0 | 0 | 0 | 110.6 | L1348 A1349 A1355 I1356 | L1348-D1352 HydrophobicContact CB-CB 3.95Å; L1348-D1352 HydrophobicContact CD2-CB 3.83Å; A1349-D1352 HydrophobicContact CB-CB 4.35Å; A1349-D1352 WeakPolarHBondContact CB-OD2 3.49Å; A1349-D1352 PolarHBondContact N-OD2 3.19Å; A1349-D1352 WeakPolarHBondContact O-CA 3.39Å; A1349-D1352 WeakPolarHBondContact O-CB 3.2Å; A1349-D1352 PolarHBondContact O-N 3.29Å; D1352-A1355 PolarHBondContact O-N 2.82Å; D1352-I1356 WeakPolarHBondContact O-CG1 3.38Å; D1352-I1356 PolarHBondContact O-N 3.1Å |
| 1353 | I | 58.5 | Low | 56.8 | Low | 63 Ų | 63 | 97.7 Ų | 97.7 | 32% | 0.323 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -50.3 | 174.5 | -64.3 | 176 | 0 | 0 | 0 | 109.4 | L1348 A1349 A1355 I1356 E1357 | L1348-I1353 HydrophobicContact CB-CD1 4.34Å; L1348-I1353 HydrophobicContact CB-CG1 3.67Å; L1348-I1353 WeakPolarHBondContact O-CD1 3.37Å; A1349-I1353 PolarHBondContact O-N 2.83Å; I1353-A1355 VanDerWaalsContact C-N 3.27Å; I1353-A1355 PolarHBondContact O-N 3.03Å; I1353-I1356 PolarHBondContact O-N 3.44Å; I1353-I1356 VanDerWaalsContact O-N 3.15Å; I1353-E1357 HydrophobicContact CG2-CG 4.23Å; I1353-E1357 WeakPolarHBondContact O-CB 3.36Å; I1353-E1357 WeakPolarHBondContact O-CG 3.32Å; I1353-E1357 PolarHBondContact O-N 3.26Å |
| 1354 | K | 62 | Low | 56.9 | Low | 92 Ų | 92 | 98.9 Ų | 98.9 | 40% | 0.4 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 175.4 | -70.3 | 159.8 | -156.7 | 153.8 | 0 | 112.2 | E1350 D1351 H1358 | E1350-K1354 VanDerWaalsContact O-CD 3.29Å; E1350-K1354 WeakPolarHBondContact O-CD 3.28Å; E1350-K1354 WeakPolarHBondContact O-CE 3.37Å; E1350-K1354 WeakPolarHBondContact O-CG 3.13Å; E1350-K1354 PolarHBondContact O-N 3.24Å; E1350-K1354 VanDerWaalsContact O-N 3.08Å; E1350-K1354 IonicContact OE2-NZ 2.88Å; E1350-K1354 PolarHBondContact OE2-NZ 2.88Å; D1351-K1354 PolarHBondContact O-N 2.65Å; D1351-K1354 IonicContact OD1-NZ 3.03Å; D1351-K1354 PolarHBondContact OD1-NZ 3.5Å; D1351-K1354 VanDerWaalsContact OD1-NZ 3.14Å; K1354-H1358 VanDerWaalsContact O-CB 3.22Å; K1354-H1358 WeakPolarHBondContact O-CB 3.21Å; K1354-H1358 PolarHBondContact O-N 3.13Å |
| 1355 | A | 65.3 | Low | 56.8 | Low | 53 Ų | 53 | 100.4 Ų | 100.4 | 44% | 0.438 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1351 D1352 I1353 H1358 V1359 | D1351-A1355 WeakPolarHBondContact O-CB 3.25Å; D1351-A1355 PolarHBondContact O-N 3.43Å; D1352-A1355 PolarHBondContact O-N 2.82Å; I1353-A1355 VanDerWaalsContact C-N 3.27Å; I1353-A1355 PolarHBondContact O-N 3.03Å; A1355-H1358 PolarHBondContact O-N 3.3Å; A1355-V1359 WeakPolarHBondContact O-CG2 3.05Å; A1355-V1359 PolarHBondContact O-N 2.8Å |
| 1356 | I | 61.7 | Low | 56.1 | Low | 81 Ų | 81 | 102 Ų | 102 | 42% | 0.415 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 176 | -69.3 | 167.2 | 0 | 0 | 0 | 110.9 | L1348 D1352 I1353 H1358 V1359 I1360 | L1348-I1356 HydrophobicContact CD1-CD1 4.18Å; L1348-I1356 HydrophobicContact CD2-CD1 4.02Å; D1352-I1356 WeakPolarHBondContact O-CG1 3.38Å; D1352-I1356 PolarHBondContact O-N 3.1Å; I1353-I1356 PolarHBondContact O-N 3.44Å; I1353-I1356 VanDerWaalsContact O-N 3.15Å; I1356-H1358 VanDerWaalsContact C-N 3.33Å; I1356-H1358 PolarHBondContact O-N 2.71Å; I1356-V1359 PolarHBondContact O-N 3.39Å; I1356-I1360 HydrophobicContact CG2-CD1 3.7Å; I1356-I1360 HydrophobicContact CG2-CG1 4.36Å; I1356-I1360 WeakPolarHBondContact O-CB 3.34Å; I1356-I1360 VanDerWaalsContact O-CG1 3.3Å; I1356-I1360 WeakPolarHBondContact O-CG1 3.38Å; I1356-I1360 PolarHBondContact O-N 3.19Å |
| 1357 | E | 60.6 | Low | 56.6 | Low | 107 Ų | 107 | 100.9 Ų | 100.9 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 174.2 | -74.9 | -174.5 | 151.7 | 0 | 0 | 111.9 | I1353 I1360 Q1361 | I1353-E1357 HydrophobicContact CG2-CG 4.23Å; I1353-E1357 WeakPolarHBondContact O-CB 3.36Å; I1353-E1357 WeakPolarHBondContact O-CG 3.32Å; I1353-E1357 PolarHBondContact O-N 3.26Å; E1357-I1360 PolarHBondContact O-N 3.35Å; E1357-Q1361 VanDerWaalsContact O-CB 3.3Å; E1357-Q1361 WeakPolarHBondContact O-CB 3.48Å; E1357-Q1361 VanDerWaalsContact O-CG 3.31Å; E1357-Q1361 WeakPolarHBondContact O-CG 3.46Å; E1357-Q1361 PolarHBondContact O-N 3.2Å |
| 1358 | H | 66.4 | Low | 57.5 | Low | 139 Ų | 139 | 95.6 Ų | 95.6 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.9 | -36 | 177 | -166.2 | -78 | 0 | 0 | 0 | 112 | K1354 A1355 I1356 A1362 | K1354-H1358 VanDerWaalsContact O-CB 3.22Å; K1354-H1358 WeakPolarHBondContact O-CB 3.21Å; K1354-H1358 PolarHBondContact O-N 3.13Å; A1355-H1358 PolarHBondContact O-N 3.3Å; I1356-H1358 VanDerWaalsContact C-N 3.33Å; I1356-H1358 PolarHBondContact O-N 2.71Å; H1358-A1362 VanDerWaalsContact O-CB 3.28Å; H1358-A1362 WeakPolarHBondContact O-CB 3.46Å; H1358-A1362 PolarHBondContact O-N 2.65Å |
| 1359 | V | 66.7 | Low | 58.2 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 42% | 0.424 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 172.3 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L375 A1355 I1356 A1362 S1363 | L375-V1359 HydrophobicContact CD1-CG1 4.49Å; L375-V1359 HydrophobicContact CD2-CG1 4.28Å; A1355-V1359 WeakPolarHBondContact O-CG2 3.05Å; A1355-V1359 PolarHBondContact O-N 2.8Å; I1356-V1359 PolarHBondContact O-N 3.39Å; V1359-A1362 PolarHBondContact O-N 3.29Å; V1359-S1363 VanDerWaalsContact O-CB 3.29Å; V1359-S1363 WeakPolarHBondContact O-CB 3.47Å; V1359-S1363 PolarHBondContact O-N 3.04Å |
| 1360 | I | 64.9 | Low | 58.8 | Low | 106 Ų | 106 | 99.4 Ų | 99.4 | 54% | 0.544 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 176 | -69.7 | 169.8 | 0 | 0 | 0 | 110.7 | I1356 E1357 A1362 S1363 A1364 | I1356-I1360 HydrophobicContact CG2-CD1 3.7Å; I1356-I1360 HydrophobicContact CG2-CG1 4.36Å; I1356-I1360 WeakPolarHBondContact O-CB 3.34Å; I1356-I1360 VanDerWaalsContact O-CG1 3.3Å; I1356-I1360 WeakPolarHBondContact O-CG1 3.38Å; I1356-I1360 PolarHBondContact O-N 3.19Å; E1357-I1360 PolarHBondContact O-N 3.35Å; I1360-A1362 VanDerWaalsContact C-N 3.3Å; I1360-A1362 PolarHBondContact O-N 3.04Å; I1360-S1363 CarbonylContact O-C 3.56Å; I1360-S1363 PolarHBondContact O-N 3.08Å; I1360-A1364 VanDerWaalsContact O-CB 3.26Å; I1360-A1364 WeakPolarHBondContact O-CB 3.13Å; I1360-A1364 PolarHBondContact O-N 3.45Å |
| 1361 | Q | 59.5 | Low | 59.4 | Low | 107 Ų | 107 | 96.8 Ų | 96.8 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -28.1 | 175.6 | -75.2 | -171.1 | 33.7 | 0 | 0 | 113.1 | E1357 K1365 | E1357-Q1361 VanDerWaalsContact O-CB 3.3Å; E1357-Q1361 WeakPolarHBondContact O-CB 3.48Å; E1357-Q1361 VanDerWaalsContact O-CG 3.31Å; E1357-Q1361 WeakPolarHBondContact O-CG 3.46Å; E1357-Q1361 PolarHBondContact O-N 3.2Å; Q1361-K1365 WeakPolarHBondContact O-CB 3.43Å; Q1361-K1365 VanDerWaalsContact O-CD 3.26Å; Q1361-K1365 WeakPolarHBondContact O-CD 3.45Å; Q1361-K1365 WeakPolarHBondContact O-CG 3.45Å; Q1361-K1365 PolarHBondContact O-N 3.48Å |
| 1362 | A | 61.6 | Low | 59.6 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.7 | -49.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | H1358 V1359 I1360 A1364 K1365 T1366 | H1358-A1362 VanDerWaalsContact O-CB 3.28Å; H1358-A1362 WeakPolarHBondContact O-CB 3.46Å; H1358-A1362 PolarHBondContact O-N 2.65Å; V1359-A1362 PolarHBondContact O-N 3.29Å; I1360-A1362 VanDerWaalsContact C-N 3.3Å; I1360-A1362 PolarHBondContact O-N 3.04Å; A1362-A1364 PolarHBondContact O-N 3.16Å; A1362-K1365 PolarHBondContact O-N 3.45Å; A1362-T1366 PolarHBondContact O-N 3.48Å; A1362-T1366 PolarHBondContact O-OG1 2.84Å |
| 1363 | S | 49.4 | Very low | 59.6 | Low | 72 Ų | 72 | 96.2 Ų | 96.2 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -6.2 | 179 | -169.9 | 0 | 0 | 0 | 0 | 114.7 | V1359 I1360 | V1359-S1363 VanDerWaalsContact O-CB 3.29Å; V1359-S1363 WeakPolarHBondContact O-CB 3.47Å; V1359-S1363 PolarHBondContact O-N 3.04Å; I1360-S1363 CarbonylContact O-C 3.56Å; I1360-S1363 PolarHBondContact O-N 3.08Å |
| 1364 | A | 59 | Low | 59.7 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 67% | 0.669 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 3.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1360 A1362 | I1360-A1364 VanDerWaalsContact O-CB 3.26Å; I1360-A1364 WeakPolarHBondContact O-CB 3.13Å; I1360-A1364 PolarHBondContact O-N 3.45Å; A1362-A1364 PolarHBondContact O-N 3.16Å |
| 1365 | K | 57.4 | Low | 59.5 | Low | 164 Ų | 164 | 99.3 Ų | 99.3 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | trans | -112.5 | 6.4 | 170.5 | -72.3 | 170.9 | -171.1 | 162.9 | 0 | 112.1 | Q1361 A1362 | Q1361-K1365 WeakPolarHBondContact O-CB 3.43Å; Q1361-K1365 VanDerWaalsContact O-CD 3.26Å; Q1361-K1365 WeakPolarHBondContact O-CD 3.45Å; Q1361-K1365 WeakPolarHBondContact O-CG 3.45Å; Q1361-K1365 PolarHBondContact O-N 3.48Å; A1362-K1365 PolarHBondContact O-N 3.45Å | ||
| 1366 | T | 41.3 | Very low | 59 | Low | 163 Ų | 163 | 103.5 Ų | 103.5 | 100% | 1 | 57% | 0.574 | S | S | * | * | trans | -127 | 0 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | A1362 | A1362-T1366 PolarHBondContact O-N 3.48Å; A1362-T1366 PolarHBondContact O-OG1 2.84Å |
Retrieved 1,366 of 1,366 residues in 1848.2 ms
(Link to these results)