| 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 | 41.8 | Very low | 76.7 | Confident | 151 Ų | 151 | 79.3 Ų | 79.3 | 74% | 0.744 | 47% | 0.474 | S | S | * | . | 0 | 124.2 | 0 | -59.9 | -46.7 | -179.7 | 0 | 0 | 108.4 | E339 | M1-E339 HydrophobicContact CE-CG 4.22Å; M1-E339 VanDerWaalsContact CE-OE2 3.25Å; M1-E339 WeakPolarHBondContact CE-OE2 3.38Å | |||
| 2 | P | 44.9 | Very low | 78.4 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | trans | -53.5 | 139.7 | 167.2 | -17.5 | 30 | 0 | 0 | 0 | 109.4 | D4 | P2-D4 PolarHBondContact O-N 3.26Š| ||
| 3 | S | 52.2 | Low | 79.8 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 79% | 0.79 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -7.8 | -169 | 45.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 4 | D | 69.4 | Low | 81.1 | Confident | 145 Ų | 145 | 72.2 Ų | 72.2 | 78% | 0.775 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -9.6 | -158.6 | -60.8 | -0.4 | 0 | 0 | 0 | 114.1 | P2 | P2-D4 PolarHBondContact O-N 3.26Š|
| 5 | F | 78.1 | Confident | 82.2 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 16% | 0.158 | 42% | 0.417 | C | S | . | . | trans | -86.7 | 129.2 | 177 | 177.9 | -105 | 0 | 0 | 0 | 112.3 | F7 R338 W341 R342 | F5-F7 HydrophobicContact CE1-CB 3.76Å; F5-F7 HydrophobicContact CZ-CB 3.82Å; F5-R338 HydrophobicContact CD1-CG 4.47Å; F5-R338 HydrophobicContact CE1-CG 4.37Å; F5-R338 WeakPolarHBondContact CE1-O 3.47Å; F5-W341 HydrophobicContact CE1-CB 4.3Å; F5-W341 HydrophobicContact CZ-CB 3.85Å; F5-R342 HydrophobicContact CB-CG 4.19Å; F5-R342 HydrophobicContact CD1-CB 3.61Å; F5-R342 HydrophobicContact CD1-CG 3.88Å; F5-R342 HydrophobicContact CE1-CB 3.79Å; F5-R342 HydrophobicContact CG-CB 4.19Å; F5-R342 HydrophobicContact CG-CG 4.02Å | ||
| 6 | S | 83.8 | Confident | 83.2 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | trans | -125.7 | 123.5 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | F | 91.5 | Very high | 84.1 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | trans | -116.8 | 133.1 | 169.3 | 179.2 | -102.4 | 0 | 0 | 0 | 108.9 | F5 P9 E337 W341 Y456 N493 P494 N495 | F5-F7 HydrophobicContact CE1-CB 3.76Å; F5-F7 HydrophobicContact CZ-CB 3.82Å; F7-P9 HydrophobicContact CD1-CG 4.37Å; F7-P9 HydrophobicContact CE1-CB 4.36Å; F7-P9 HydrophobicContact CE1-CG 4.19Å; F7-E337 HydrophobicContact CD1-CG 4.25Å; F7-E337 HydrophobicContact CE1-CG 3.68Å; F7-E337 HydrophobicContact CZ-CG 4.46Å; F7-W341 AromaticContact CD1-CD1 3.95Å; F7-W341 HydrophobicContact CD2-CB 4.03Å; F7-W341 AromaticContact CD2-CD1 3.63Å; F7-W341 AromaticContact CD2-CG 3.84Å; F7-W341 HydrophobicContact CD2-CG 3.84Å; F7-W341 AromaticContact CE1-CD1 3.67Å; F7-W341 HydrophobicContact CE2-CB 4.45Å; F7-W341 AromaticContact CE2-CD1 3.31Å; F7-W341 HydrophobicContact CE2-CD2 4.28Å; F7-W341 AromaticContact CE2-CG 3.77Å; F7-W341 HydrophobicContact CE2-CG 3.77Å; F7-W341 AromaticContact CE2-NE1 3.57Å; F7-W341 HydrophobicContact CG-CB 4.33Å; F7-W341 AromaticContact CG-CD1 3.94Å; F7-W341 HydrophobicContact CG-CG 4.35Å; F7-W341 AromaticContact CZ-CD1 3.33Å; F7-W341 HydrophobicContact CZ-CG 4.23Å; F7-W341 AromaticContact CZ-NE1 3.37Å; F7-Y456 HydrophobicContact CZ-CE1 4.5Å; F7-N493 WeakPolarHBondContact CE2-OD1 3.48Å; F7-P494 HydrophobicContact CE2-CG 4.5Å; F7-N495 WeakPolarHBondContact CE2-OD1 3.1Å | ||
| 8 | V | 93.4 | Very high | 84.7 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | trans | -112.5 | 110.8 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | N495 | V8-N495 WeakPolarHBondContact CB-ND2 3.27Å; V8-N495 PolarHBondContact N-ND2 3Å; V8-N495 PolarHBondContact O-ND2 3.33Å; V8-N495 VanDerWaalsContact O-ND2 3.17Å; V8-N495 PolarHBondContact O-OD1 3.47Å | ||
| 9 | P | 95.3 | Very high | 85.2 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 136.6 | 179.9 | -25.8 | 34.7 | 0 | 0 | 0 | 112 | F7 | F7-P9 HydrophobicContact CD1-CG 4.37Å; F7-P9 HydrophobicContact CE1-CB 4.36Å; F7-P9 HydrophobicContact CE1-CG 4.19Å |
| 10 | P | 96.3 | Very high | 85.5 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.045 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -61 | 167.1 | 173.1 | -24 | 34.2 | 0 | 0 | 0 | 113.3 | Y456 P494 I504 R506 | P10-Y456 HydrophobicContact CG-CD1 4.13Å; P10-Y456 HydrophobicContact CG-CE1 4.15Å; P10-P494 HydrophobicContact CG-CB 3.91Å; P10-I504 HydrophobicContact CB-CB 4.44Å; P10-I504 HydrophobicContact CB-CG2 4.25Å; P10-I504 WeakPolarHBondContact CB-O 3.35Å; P10-I504 HydrophobicContact CG-CG2 4.14Å; P10-R506 HydrophobicContact CB-CB 4.41Å; P10-R506 HydrophobicContact CB-CG 4.03Å; P10-R506 WeakPolarHBondContact O-CD 3.32Å; P10-R506 WeakPolarHBondContact O-CG 3.42Å |
| 11 | P | 96.6 | Very high | 85.6 | Confident | 75 Ų | 75 | 72.6 Ų | 72.6 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 148.8 | 171.9 | -24.5 | 34.1 | 0 | 0 | 0 | 113.5 | I504 Y505 R506 | P11-I504 WeakPolarHBondContact CD-O 3.44Å; P11-Y505 HydrophobicContact CB-CD1 4.19Å; P11-Y505 HydrophobicContact CB-CE1 4.43Å; P11-Y505 CarbonylContact O-C 3.56Å; P11-Y505 VanDerWaalsContact O-CA 3.24Å; P11-Y505 WeakPolarHBondContact O-CA 3.45Å; P11-R506 PolarHBondContact O-N 3.33Å |
| 12 | E | 97.4 | Very high | 87.9 | Confident | 101 Ų | 101 | 68.2 Ų | 68.2 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 144.2 | 177.4 | -75.6 | -69.3 | 148 | 0 | 0 | 112.8 | R506 T507 | E12-R506 CarbonylContact C-O 3.54Å; E12-R506 VanDerWaalsContact CA-O 3.26Å; E12-R506 WeakPolarHBondContact CA-O 3.49Å; E12-R506 IonicContact OE1-CZ 2.77Å; E12-R506 VanDerWaalsContact OE1-CZ 3.26Å; E12-R506 IonicContact OE1-NE 3.81Å; E12-R506 PolarHBondContact OE1-NE 2.71Å; E12-R506 IonicContact OE1-NH2 3.33Å; E12-R506 PolarHBondContact OE1-NH2 3.24Å; E12-T507 WeakPolarHBondContact OE2-CA 3.37Å; E12-T507 PolarHBondContact OE2-OG1 3.17Å |
| 13 | A | 97.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 157.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V15 I42 R506 | A13-V15 PolarHBondContact O-N 3.5Å; A13-I42 HydrophobicContact CB-CD1 4.32Å; A13-I42 HydrophobicContact CB-CG1 3.93Å; A13-R506 PolarHBondContact N-O 3.29Å |
| 14 | P | 97.4 | Very high | 92 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 21% | 0.214 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 136.3 | 178.8 | -22.2 | 34.2 | 0 | 0 | 0 | 111.7 | F16 I36 T40 K44 | P14-F16 HydrophobicContact CB-CE2 3.7Å; P14-F16 HydrophobicContact CB-CZ 3.97Å; P14-I36 HydrophobicContact CG-CG2 4.29Å; P14-T40 WeakPolarHBondContact CD-OG1 3.39Å; P14-T40 HydrophobicContact CG-CG2 3.85Å; P14-K44 PolarHBondContact O-N 3.36Å |
| 15 | V | 98.1 | Very high | 92.8 | Very high | 53 Ų | 53 | 63.2 Ų | 63.2 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.6 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | A13 Y17 K44 V46 | A13-V15 PolarHBondContact O-N 3.5Å; V15-Y17 HydrophobicContact CB-CE2 4.32Å; V15-Y17 HydrophobicContact CG1-CE2 3.75Å; V15-K44 CarbonylContact C-O 3.57Å; V15-K44 WeakPolarHBondContact CA-O 3.29Å; V15-K44 HydrophobicContact CG1-CB 4.44Å; V15-K44 HydrophobicContact CG2-CB 4.28Å; V15-V46 HydrophobicContact CG1-CG2 3.76Å |
| 16 | F | 98 | Very high | 93.4 | Very high | 29 Ų | 29 | 61.5 Ų | 61.5 | 13% | 0.127 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.2 | -177.4 | -65.7 | -81.8 | 0 | 0 | 0 | 111.7 | P14 Y29 I33 I36 C37 C43 K44 I45 V46 | P14-F16 HydrophobicContact CB-CE2 3.7Å; P14-F16 HydrophobicContact CB-CZ 3.97Å; F16-Y29 HydrophobicContact CB-CE1 4.31Å; F16-Y29 WeakPolarHBondContact CB-OH 3.23Å; F16-I33 HydrophobicContact CD1-CB 4.27Å; F16-I33 HydrophobicContact CD1-CG2 3.66Å; F16-I33 HydrophobicContact CD2-CD1 3.92Å; F16-I33 HydrophobicContact CE1-CB 3.89Å; F16-I33 HydrophobicContact CE1-CG2 3.68Å; F16-I33 HydrophobicContact CE2-CB 4.23Å; F16-I33 HydrophobicContact CE2-CD1 4.09Å; F16-I33 HydrophobicContact CG-CD1 4.28Å; F16-I33 HydrophobicContact CG-CG2 4.15Å; F16-I33 HydrophobicContact CZ-CB 3.87Å; F16-I33 HydrophobicContact CZ-CG2 4.18Å; F16-I36 HydrophobicContact CE1-CD1 4.21Å; F16-I36 HydrophobicContact CZ-CB 4.28Å; F16-I36 HydrophobicContact CZ-CD1 4.37Å; F16-I36 HydrophobicContact CZ-CG2 4.13Å; F16-C37 WeakPolarHBondContact CE2-SG 3.49Å; F16-C43 HydrophobicContact CD2-CB 4.09Å; F16-C43 HydrophobicContact CE2-CB 3.78Å; F16-K44 PolarHBondContact N-O 3.45Å; F16-I45 HydrophobicContact CB-CG1 4.38Å; F16-V46 PolarHBondContact O-N 2.93Å |
| 17 | Y | 97.7 | Very high | 93.7 | Very high | 162 Ų | 162 | 57 Ų | 57 | 64% | 0.635 | 30% | 0.3 | S | S | * | . | trans | -123.7 | 82 | 179.2 | -60.9 | -90.6 | 0 | 0 | 0 | 108.9 | V15 V46 | V15-Y17 HydrophobicContact CB-CE2 4.32Å; V15-Y17 HydrophobicContact CG1-CE2 3.75Å; Y17-V46 HydrophobicContact CD1-CB 3.7Å; Y17-V46 HydrophobicContact CD1-CG1 4.04Å; Y17-V46 HydrophobicContact CD1-CG2 4.26Å; Y17-V46 HydrophobicContact CE1-CB 3.65Å; Y17-V46 HydrophobicContact CE1-CG1 3.87Å; Y17-V46 HydrophobicContact CE1-CG2 3.76Å | ||
| 18 | P | 96.1 | Very high | 93.5 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | trans | -59.1 | 142 | 179.5 | 20.5 | -30.9 | 0 | 0 | 0 | 111.9 | E22 F23 Y29 I45 V46 | P18-E22 WeakPolarHBondContact CA-OE2 3.22Å; P18-E22 HydrophobicContact CB-CB 4.04Å; P18-F23 HydrophobicContact CB-CB 4.2Å; P18-F23 HydrophobicContact CB-CD2 4.11Å; P18-F23 HydrophobicContact CG-CB 4.46Å; P18-F23 HydrophobicContact CG-CD2 3.52Å; P18-F23 HydrophobicContact CG-CE2 4.23Å; P18-F23 HydrophobicContact CG-CG 4.41Å; P18-Y29 HydrophobicContact CB-CD2 4.32Å; P18-Y29 HydrophobicContact CB-CE1 4.11Å; P18-Y29 HydrophobicContact CB-CE2 3.77Å; P18-Y29 HydrophobicContact CG-CE1 4.27Å; P18-I45 HydrophobicContact CG-CG2 3.98Å; P18-V46 WeakPolarHBondContact CD-O 3.43Å | ||
| 19 | T | 93.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.362 | 28% | 0.283 | S | S | . | . | trans | -67.4 | 161 | 165.7 | 80 | 0 | 0 | 0 | 0 | 110.3 | E21 E22 F23 | T19-E21 VanDerWaalsContact CB-OE2 3.28Å; T19-E21 WeakPolarHBondContact CB-OE2 3.46Å; T19-E21 PolarHBondContact O-N 3.27Å; T19-E21 PolarHBondContact OG1-N 3.43Å; T19-E21 PolarHBondContact OG1-OE2 2.79Å; T19-E22 HydrophobicContact CG2-CG 4.49Å; T19-E22 PolarHBondContact N-OE2 3.25Å; T19-E22 PolarHBondContact O-N 2.87Å; T19-E22 VanDerWaalsContact O-N 3.1Å; T19-E22 WeakPolarHBondContact OG1-CG 3.43Å; T19-E22 PolarHBondContact OG1-N 2.98Å; T19-F23 WeakPolarHBondContact O-CB 3.48Å; T19-F23 PolarHBondContact O-N 3.4Å | ||
| 20 | P | 91.2 | Very high | 93.3 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -37.7 | 175 | -28.2 | 36.9 | 0 | 0 | 0 | 113.4 | F23 | P20-F23 PolarHBondContact O-N 3.07Š|
| 21 | E | 88.1 | Confident | 93 | Very high | 129 Ų | 129 | 53.6 Ų | 53.6 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -42.3 | 177 | -55.1 | 77.1 | -168.5 | 0 | 0 | 112.1 | T19 F23 E24 | T19-E21 VanDerWaalsContact CB-OE2 3.28Å; T19-E21 WeakPolarHBondContact CB-OE2 3.46Å; T19-E21 PolarHBondContact O-N 3.27Å; T19-E21 PolarHBondContact OG1-N 3.43Å; T19-E21 PolarHBondContact OG1-OE2 2.79Å; E21-F23 PolarHBondContact O-N 3.39Å; E21-E24 PolarHBondContact O-N 3.37Å |
| 22 | E | 90.7 | Very high | 92.7 | Very high | 59 Ų | 59 | 56.2 Ų | 56.2 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26.4 | 174.9 | -68.9 | 179.1 | 145.2 | 0 | 0 | 112.7 | P18 T19 E24 Y29 K32 | P18-E22 WeakPolarHBondContact CA-OE2 3.22Å; P18-E22 HydrophobicContact CB-CB 4.04Å; T19-E22 HydrophobicContact CG2-CG 4.49Å; T19-E22 PolarHBondContact N-OE2 3.25Å; T19-E22 PolarHBondContact O-N 2.87Å; T19-E22 VanDerWaalsContact O-N 3.1Å; T19-E22 WeakPolarHBondContact OG1-CG 3.43Å; T19-E22 PolarHBondContact OG1-N 2.98Å; E22-E24 VanDerWaalsContact C-N 3.29Å; E22-Y29 HydrophobicContact CB-CD2 3.85Å; E22-Y29 HydrophobicContact CB-CE2 3.94Å; E22-Y29 HydrophobicContact CG-CE2 4.46Å; E22-K32 IonicContact OE1-NZ 3.92Å; E22-K32 PolarHBondContact OE1-NZ 2.81Å |
| 23 | F | 93.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -2.2 | 178.8 | -159.2 | -104.6 | 0 | 0 | 0 | 112.9 | P18 T19 P20 E21 P47 P48 W51 W395 F514 | P18-F23 HydrophobicContact CB-CB 4.2Å; P18-F23 HydrophobicContact CB-CD2 4.11Å; P18-F23 HydrophobicContact CG-CB 4.46Å; P18-F23 HydrophobicContact CG-CD2 3.52Å; P18-F23 HydrophobicContact CG-CE2 4.23Å; P18-F23 HydrophobicContact CG-CG 4.41Å; T19-F23 WeakPolarHBondContact O-CB 3.48Å; T19-F23 PolarHBondContact O-N 3.4Å; P20-F23 PolarHBondContact O-N 3.07Å; E21-F23 PolarHBondContact O-N 3.39Å; F23-P47 HydrophobicContact CE1-CB 4.46Å; F23-P47 HydrophobicContact CE2-CB 3.87Å; F23-P47 HydrophobicContact CE2-CG 4.16Å; F23-P47 HydrophobicContact CZ-CB 3.7Å; F23-P47 HydrophobicContact CZ-CG 4.06Å; F23-P48 HydrophobicContact CB-CG 3.93Å; F23-P48 HydrophobicContact CD1-CG 4.27Å; F23-P48 HydrophobicContact CD2-CG 4.38Å; F23-P48 HydrophobicContact CG-CG 3.94Å; F23-W51 HydrophobicContact CD1-CG 4.4Å; F23-W51 HydrophobicContact CE1-CB 4.09Å; F23-W51 AromaticContact CE1-CD1 3.47Å; F23-W51 VanDerWaalsContact CE1-CD1 3.47Å; F23-W51 AromaticContact CE1-CD2 3.75Å; F23-W51 HydrophobicContact CE1-CD2 3.75Å; F23-W51 AromaticContact CE1-CE2 3.87Å; F23-W51 AromaticContact CE1-CG 3.51Å; F23-W51 HydrophobicContact CE1-CG 3.51Å; F23-W51 AromaticContact CE1-NE1 3.68Å; F23-W51 AromaticContact CZ-CD2 3.91Å; F23-W51 HydrophobicContact CZ-CD2 3.91Å; F23-W51 HydrophobicContact CZ-CE3 4.25Å; F23-W51 HydrophobicContact CZ-CG 4.11Å; F23-W395 AromaticContact CD1-CD1 3.63Å; F23-W395 HydrophobicContact CD1-CG 4.42Å; F23-W395 AromaticContact CD1-NE1 3.47Å; F23-W395 HydrophobicContact CD2-CD2 4.2Å; F23-W395 AromaticContact CD2-CE2 3.38Å; F23-W395 HydrophobicContact CD2-CH2 4.32Å; F23-W395 AromaticContact CD2-CZ2 3.46Å; F23-W395 HydrophobicContact CD2-CZ2 3.46Å; F23-W395 VanDerWaalsContact CD2-CZ2 3.46Å; F23-W395 AromaticContact CD2-NE1 3.44Å; F23-W395 HydrophobicContact CE1-CB 4.34Å; F23-W395 AromaticContact CE1-CD1 3.25Å; F23-W395 HydrophobicContact CE1-CD2 4.12Å; F23-W395 AromaticContact CE1-CG 3.67Å; F23-W395 HydrophobicContact CE1-CG 3.67Å; F23-W395 AromaticContact CE1-NE1 3.47Å; F23-W395 AromaticContact CE2-CD1 3.94Å; F23-W395 AromaticContact CE2-CD2 3.51Å; F23-W395 HydrophobicContact CE2-CD2 3.51Å; F23-W395 AromaticContact CE2-CE2 3.18Å; F23-W395 HydrophobicContact CE2-CE3 4.05Å; F23-W395 AromaticContact CE2-CG 3.98Å; F23-W395 HydrophobicContact CE2-CG 3.98Å; F23-W395 HydrophobicContact CE2-CH2 4.03Å; F23-W395 AromaticContact CE2-CZ2 3.47Å; F23-W395 HydrophobicContact CE2-CZ2 3.47Å; F23-W395 VanDerWaalsContact CE2-CZ2 3.47Å; F23-W395 HydrophobicContact CE2-CZ3 4.28Å; F23-W395 AromaticContact CE2-NE1 3.48Å; F23-W395 AromaticContact CG-CE2 3.93Å; F23-W395 HydrophobicContact CG-CZ2 4.28Å; F23-W395 AromaticContact CG-NE1 3.45Å; F23-W395 HydrophobicContact CZ-CB 4.15Å; F23-W395 AromaticContact CZ-CD1 3.45Å; F23-W395 VanDerWaalsContact CZ-CD1 3.45Å; F23-W395 AromaticContact CZ-CD2 3.46Å; F23-W395 HydrophobicContact CZ-CD2 3.46Å; F23-W395 VanDerWaalsContact CZ-CD2 3.46Å; F23-W395 AromaticContact CZ-CE2 3.52Å; F23-W395 HydrophobicContact CZ-CE3 4.19Å; F23-W395 AromaticContact CZ-CG 3.42Å; F23-W395 HydrophobicContact CZ-CG 3.42Å; F23-W395 VanDerWaalsContact CZ-CG 3.42Å; F23-W395 HydrophobicContact CZ-CZ2 4.27Å; F23-W395 AromaticContact CZ-NE1 3.5Å; F23-W395 PolarHBondContact O-NE1 2.98Å; F23-F514 HydrophobicContact CZ-CE2 4.42Å |
| 24 | E | 88.7 | Confident | 92.3 | Very high | 146 Ų | 146 | 55.1 Ų | 55.1 | 68% | 0.682 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -72.9 | -39.4 | 177.3 | -67.1 | -176.3 | 169.6 | 0 | 0 | 112.8 | E21 E22 P394 | E21-E24 PolarHBondContact O-N 3.37Å; E22-E24 VanDerWaalsContact C-N 3.29Å; E24-P394 WeakPolarHBondContact O-CG 3.25Å |
| 25 | D | 86.5 | Confident | 92 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 36% | 0.358 | 29% | 0.286 | S | S | . | . | trans | -113.1 | 96.1 | 177.6 | 178.9 | 5.6 | 0 | 0 | 0 | 110.8 | L27 G28 Y29 R405 | D25-L27 PolarHBondContact O-N 3.41Å; D25-L27 PolarHBondContact OD1-N 3.24Å; D25-G28 VanDerWaalsContact CG-N 3.29Å; D25-G28 PolarHBondContact O-N 3Å; D25-G28 PolarHBondContact OD1-N 3.13Å; D25-G28 WeakPolarHBondContact OD2-CA 3.49Å; D25-G28 PolarHBondContact OD2-N 3.08Å; D25-Y29 WeakPolarHBondContact O-CB 3.47Å; D25-Y29 PolarHBondContact O-N 2.9Å; D25-R405 IonicContact OD2-NE 3.79Å | ||
| 26 | P | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | -178.8 | 22.8 | -32.9 | 0 | 0 | 0 | 112.8 | Y29 L30 P394 W395 L400 L403 | P26-Y29 PolarHBondContact O-N 3.46Å; P26-L30 VanDerWaalsContact O-CG 3.31Å; P26-L30 WeakPolarHBondContact O-CG 3.2Å; P26-L30 PolarHBondContact O-N 3.15Å; P26-P394 HydrophobicContact CG-CB 3.94Å; P26-W395 HydrophobicContact CB-CD2 3.8Å; P26-W395 HydrophobicContact CB-CE3 4.15Å; P26-W395 HydrophobicContact CB-CG 4.37Å; P26-W395 HydrophobicContact CB-CH2 4Å; P26-W395 HydrophobicContact CB-CZ2 3.64Å; P26-W395 HydrophobicContact CB-CZ3 4.23Å; P26-L400 HydrophobicContact CB-CD1 3.61Å; P26-L400 HydrophobicContact CG-CD1 3.46Å; P26-L400 VanDerWaalsContact CG-CD1 3.46Å; P26-L403 HydrophobicContact CG-CD1 3.51Å |
| 27 | L | 89.9 | Confident | 91.6 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.4 | -37.2 | -175.7 | -61.3 | -172 | 0 | 0 | 0 | 111 | D25 Y29 L30 M31 L400 L403 R405 I538 L540 | D25-L27 PolarHBondContact O-N 3.41Å; D25-L27 PolarHBondContact OD1-N 3.24Å; L27-Y29 VanDerWaalsContact C-N 3.34Å; L27-L30 HydrophobicContact CD2-CD1 4.23Å; L27-L30 PolarHBondContact O-N 2.73Å; L27-M31 WeakPolarHBondContact O-CG 3.41Å; L27-M31 PolarHBondContact O-N 2.89Å; L27-L400 HydrophobicContact CD2-CD1 4.11Å; L27-L400 HydrophobicContact CD2-CG 4.37Å; L27-L403 HydrophobicContact CD1-CB 3.73Å; L27-L403 HydrophobicContact CD1-CD1 4.49Å; L27-L403 HydrophobicContact CG-CB 4.4Å; L27-L403 HydrophobicContact CG-CD1 4.31Å; L27-R405 HydrophobicContact CB-CB 3.88Å; L27-R405 HydrophobicContact CB-CG 4.46Å; L27-R405 HydrophobicContact CD1-CB 3.77Å; L27-R405 HydrophobicContact CG-CB 4.5Å; L27-I538 HydrophobicContact CD2-CD1 3.96Å; L27-L540 HydrophobicContact CB-CD2 3.89Å; L27-L540 HydrophobicContact CD1-CD2 4.29Å; L27-L540 HydrophobicContact CD2-CD2 4.06Å; L27-L540 HydrophobicContact CG-CD2 4.29Å |
| 28 | G | 86.3 | Confident | 91.2 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D25 M31 K32 | D25-G28 VanDerWaalsContact CG-N 3.29Å; D25-G28 PolarHBondContact O-N 3Å; D25-G28 PolarHBondContact OD1-N 3.13Å; D25-G28 WeakPolarHBondContact OD2-CA 3.49Å; D25-G28 PolarHBondContact OD2-N 3.08Å; G28-M31 PolarHBondContact O-N 2.91Å; G28-K32 PolarHBondContact O-N 2.1Å; G28-K32 VanDerWaalsContact O-N 3.09Å |
| 29 | Y | 92.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 174.9 | -170.5 | -105.3 | 0 | 0 | 0 | 112.6 | F16 P18 E22 D25 P26 L27 M31 K32 I33 I45 W395 | F16-Y29 HydrophobicContact CB-CE1 4.31Å; F16-Y29 WeakPolarHBondContact CB-OH 3.23Å; P18-Y29 HydrophobicContact CB-CD2 4.32Å; P18-Y29 HydrophobicContact CB-CE1 4.11Å; P18-Y29 HydrophobicContact CB-CE2 3.77Å; P18-Y29 HydrophobicContact CG-CE1 4.27Å; E22-Y29 HydrophobicContact CB-CD2 3.85Å; E22-Y29 HydrophobicContact CB-CE2 3.94Å; E22-Y29 HydrophobicContact CG-CE2 4.46Å; D25-Y29 WeakPolarHBondContact O-CB 3.47Å; D25-Y29 PolarHBondContact O-N 2.9Å; P26-Y29 PolarHBondContact O-N 3.46Å; L27-Y29 VanDerWaalsContact C-N 3.34Å; Y29-M31 VanDerWaalsContact C-N 3.33Å; Y29-M31 PolarHBondContact O-N 3.2Å; Y29-K32 WeakPolarHBondContact O-CB 3.42Å; Y29-K32 PolarHBondContact O-N 3.33Å; Y29-K32 VanDerWaalsContact O-N 3.11Å; Y29-I33 HydrophobicContact CD1-CD1 4.33Å; Y29-I33 HydrophobicContact CD1-CG2 4.34Å; Y29-I33 HydrophobicContact CE1-CD1 4.11Å; Y29-I33 HydrophobicContact CE1-CG2 3.86Å; Y29-I33 HydrophobicContact CE2-CG2 4.3Å; Y29-I33 PolarHBondContact O-N 2.97Å; Y29-I45 HydrophobicContact CD1-CD1 4.38Å; Y29-I45 HydrophobicContact CE1-CD1 4.3Å; Y29-I45 HydrophobicContact CE1-CG2 4.47Å; Y29-W395 HydrophobicContact CD1-CH2 4.45Å |
| 30 | L | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 175.1 | -70.4 | -179.2 | 0 | 0 | 0 | 111.8 | P26 L27 K32 I33 R34 I45 V516 I538 L540 | P26-L30 VanDerWaalsContact O-CG 3.31Å; P26-L30 WeakPolarHBondContact O-CG 3.2Å; P26-L30 PolarHBondContact O-N 3.15Å; L27-L30 HydrophobicContact CD2-CD1 4.23Å; L27-L30 PolarHBondContact O-N 2.73Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.97Å; L30-I33 HydrophobicContact CD2-CD1 4.08Å; L30-I33 PolarHBondContact O-N 3.47Å; L30-R34 VanDerWaalsContact O-CB 3.29Å; L30-R34 WeakPolarHBondContact O-CB 3.44Å; L30-R34 PolarHBondContact O-N 2.77Å; L30-I45 HydrophobicContact CD2-CD1 3.91Å; L30-V516 HydrophobicContact CD2-CG1 4.2Å; L30-V516 HydrophobicContact CD2-CG2 3.95Å; L30-I538 HydrophobicContact CD1-CD1 3.3Å; L30-L540 HydrophobicContact CB-CD1 4.35Å |
| 31 | M | 88.8 | Confident | 91.4 | Very high | 74 Ų | 74 | 52 Ų | 52 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 173.3 | -72.2 | -176.9 | 74.1 | 0 | 0 | 112.1 | L27 G28 Y29 L540 | L27-M31 WeakPolarHBondContact O-CG 3.41Å; L27-M31 PolarHBondContact O-N 2.89Å; G28-M31 PolarHBondContact O-N 2.91Å; Y29-M31 VanDerWaalsContact C-N 3.33Å; Y29-M31 PolarHBondContact O-N 3.2Å; M31-L540 HydrophobicContact CG-CD1 3.85Å |
| 32 | K | 90.4 | Very high | 91.9 | Very high | 131 Ų | 131 | 45.9 Ų | 45.9 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.5 | -44.6 | 177.5 | -179.6 | -178.9 | 179.6 | 172.7 | 0 | 112.8 | E22 G28 Y29 L30 P35 | E22-K32 IonicContact OE1-NZ 3.92Å; E22-K32 PolarHBondContact OE1-NZ 2.81Å; G28-K32 PolarHBondContact O-N 2.1Å; G28-K32 VanDerWaalsContact O-N 3.09Å; Y29-K32 WeakPolarHBondContact O-CB 3.42Å; Y29-K32 PolarHBondContact O-N 3.33Å; Y29-K32 VanDerWaalsContact O-N 3.11Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 2.97Å; K32-P35 WeakPolarHBondContact O-CD 3.48Å |
| 33 | I | 94.2 | Very high | 92.2 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -85.8 | -16.9 | -176.7 | 68 | 173.6 | 0 | 0 | 0 | 113.6 | F16 Y29 L30 P35 I36 C37 I45 | F16-I33 HydrophobicContact CD1-CB 4.27Å; F16-I33 HydrophobicContact CD1-CG2 3.66Å; F16-I33 HydrophobicContact CD2-CD1 3.92Å; F16-I33 HydrophobicContact CE1-CB 3.89Å; F16-I33 HydrophobicContact CE1-CG2 3.68Å; F16-I33 HydrophobicContact CE2-CB 4.23Å; F16-I33 HydrophobicContact CE2-CD1 4.09Å; F16-I33 HydrophobicContact CG-CD1 4.28Å; F16-I33 HydrophobicContact CG-CG2 4.15Å; F16-I33 HydrophobicContact CZ-CB 3.87Å; F16-I33 HydrophobicContact CZ-CG2 4.18Å; Y29-I33 HydrophobicContact CD1-CD1 4.33Å; Y29-I33 HydrophobicContact CD1-CG2 4.34Å; Y29-I33 HydrophobicContact CE1-CD1 4.11Å; Y29-I33 HydrophobicContact CE1-CG2 3.86Å; Y29-I33 HydrophobicContact CE2-CG2 4.3Å; Y29-I33 PolarHBondContact O-N 2.97Å; L30-I33 HydrophobicContact CD2-CD1 4.08Å; L30-I33 PolarHBondContact O-N 3.47Å; I33-P35 VanDerWaalsContact C-CD 3.42Å; I33-I36 PolarHBondContact O-N 3.01Å; I33-C37 PolarHBondContact O-N 3.18Å; I33-C37 PolarHBondContact O-SG 3.49Å; I33-I45 HydrophobicContact CD1-CD1 3.97Å; I33-I45 HydrophobicContact CD1-CG1 4.36Å |
| 34 | R | 92.3 | Very high | 92.5 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -47.7 | -45.8 | -177.6 | -177.8 | -175.5 | 77.6 | 113.2 | 5.2 | 114.6 | L30 I36 C37 I38 Y442 F518 D542 | L30-R34 VanDerWaalsContact O-CB 3.29Å; L30-R34 WeakPolarHBondContact O-CB 3.44Å; L30-R34 PolarHBondContact O-N 2.77Å; R34-I36 PolarHBondContact O-N 2.92Å; R34-I36 VanDerWaalsContact O-N 3.11Å; R34-C37 PolarHBondContact O-N 3.01Å; R34-C37 VanDerWaalsContact O-N 3.16Å; R34-I38 HydrophobicContact CG-CD1 3.65Å; R34-I38 HydrophobicContact CG-CG1 3.93Å; R34-I38 WeakPolarHBondContact O-CG1 3.48Å; R34-I38 PolarHBondContact O-N 2.86Å; R34-Y442 WeakPolarHBondContact CD-OH 3.38Å; R34-F518 HydrophobicContact CB-CE1 4.02Å; R34-F518 HydrophobicContact CG-CD1 4.24Å; R34-F518 HydrophobicContact CG-CE1 3.91Å; R34-D542 VanDerWaalsContact CD-OD2 3.22Å; R34-D542 WeakPolarHBondContact CD-OD2 3.39Å; R34-D542 IonicContact CZ-OD2 3.47Å; R34-D542 VanDerWaalsContact CZ-OD2 3.3Å; R34-D542 IonicContact NE-OD2 3.81Å; R34-D542 PolarHBondContact NE-OD2 3.29Å; R34-D542 IonicContact NH1-OD2 3.5Å; R34-D542 PolarHBondContact NH1-OD2 3.1Å |
| 35 | P | 91.9 | Very high | 92.9 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.4 | -25.7 | -178.7 | -24.9 | 35.7 | 0 | 0 | 0 | 114.3 | K32 I33 | K32-P35 WeakPolarHBondContact O-CD 3.48Å; I33-P35 VanDerWaalsContact C-CD 3.42Å |
| 36 | I | 93.8 | Very high | 93.5 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -83.5 | -49.5 | 176 | -58.5 | 171.6 | 0 | 0 | 0 | 109.5 | P14 F16 I33 R34 I38 K39 | P14-I36 HydrophobicContact CG-CG2 4.29Å; F16-I36 HydrophobicContact CE1-CD1 4.21Å; F16-I36 HydrophobicContact CZ-CB 4.28Å; F16-I36 HydrophobicContact CZ-CD1 4.37Å; F16-I36 HydrophobicContact CZ-CG2 4.13Å; I33-I36 PolarHBondContact O-N 3.01Å; R34-I36 PolarHBondContact O-N 2.92Å; R34-I36 VanDerWaalsContact O-N 3.11Å; I36-I38 PolarHBondContact O-N 2.62Å; I36-K39 PolarHBondContact O-N 2.95Å |
| 37 | C | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.2 | -25.3 | -170.8 | -52.8 | 0 | 0 | 0 | 0 | 114 | F16 I33 R34 K39 T40 G41 C43 F518 | F16-C37 WeakPolarHBondContact CE2-SG 3.49Å; I33-C37 PolarHBondContact O-N 3.18Å; I33-C37 PolarHBondContact O-SG 3.49Å; R34-C37 PolarHBondContact O-N 3.01Å; R34-C37 VanDerWaalsContact O-N 3.16Å; C37-K39 PolarHBondContact O-N 3.49Å; C37-K39 VanDerWaalsContact O-N 3.13Å; C37-T40 PolarHBondContact O-N 3.47Å; C37-T40 PolarHBondContact O-OG1 3.37Å; C37-G41 PolarHBondContact O-N 3.45Å; C37-C43 HydrophobicContact CB-CB 4.26Å; C37-C43 VanDerWaalsContact SG-SG 3.61Å; C37-F518 HydrophobicContact CB-CD1 4.32Å; C37-F518 HydrophobicContact CB-CD2 3.79Å; C37-F518 HydrophobicContact CB-CE1 3.76Å; C37-F518 HydrophobicContact CB-CE2 3.16Å; C37-F518 HydrophobicContact CB-CG 4.36Å; C37-F518 HydrophobicContact CB-CZ 3.15Å |
| 38 | I | 90.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 36 Ų | 36 | 18% | 0.179 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -33.9 | 173.6 | -77.1 | 170.4 | 0 | 0 | 0 | 111 | R34 I36 T40 S459 L461 F518 | R34-I38 HydrophobicContact CG-CD1 3.65Å; R34-I38 HydrophobicContact CG-CG1 3.93Å; R34-I38 WeakPolarHBondContact O-CG1 3.48Å; R34-I38 PolarHBondContact O-N 2.86Å; I36-I38 PolarHBondContact O-N 2.62Å; I38-T40 VanDerWaalsContact C-N 3.3Å; I38-T40 PolarHBondContact O-N 3.09Å; I38-S459 VanDerWaalsContact O-CB 3.29Å; I38-S459 WeakPolarHBondContact O-CB 3.5Å; I38-S459 PolarHBondContact O-OG 3.4Å; I38-L461 HydrophobicContact CG2-CD1 4.31Å; I38-L461 HydrophobicContact CG2-CG 4.33Å; I38-F518 HydrophobicContact CG1-CD1 4.42Å |
| 39 | K | 93 | Very high | 94.1 | Very high | 136 Ų | 136 | 45.3 Ų | 45.3 | 59% | 0.591 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -24.3 | -178.2 | -60.1 | 179.4 | -175.7 | 178 | 0 | 113.3 | I36 C37 S459 | I36-K39 PolarHBondContact O-N 2.95Å; C37-K39 PolarHBondContact O-N 3.49Å; C37-K39 VanDerWaalsContact O-N 3.13Å; K39-S459 WeakPolarHBondContact O-CB 3.23Å |
| 40 | T | 95.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -17.8 | -174.1 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | P14 C37 I38 I42 Y505 | P14-T40 WeakPolarHBondContact CD-OG1 3.39Å; P14-T40 HydrophobicContact CG-CG2 3.85Å; C37-T40 PolarHBondContact O-N 3.47Å; C37-T40 PolarHBondContact O-OG1 3.37Å; I38-T40 VanDerWaalsContact C-N 3.3Å; I38-T40 PolarHBondContact O-N 3.09Å; T40-I42 PolarHBondContact O-N 3.03Å; T40-I42 PolarHBondContact OG1-O 3.16Å; T40-Y505 HydrophobicContact CG2-CD1 3.93Å; T40-Y505 HydrophobicContact CG2-CD2 4.02Å; T40-Y505 HydrophobicContact CG2-CE1 3.81Å; T40-Y505 HydrophobicContact CG2-CE2 3.91Å; T40-Y505 HydrophobicContact CG2-CG 4.03Å |
| 41 | G | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 79.5 | -35 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C37 F518 A521 | C37-G41 PolarHBondContact O-N 3.45Å; G41-F518 WeakPolarHBondContact O-CD2 3.16Å; G41-F518 PolarHBondContact O-N 2.9Å; G41-A521 VanDerWaalsContact O-CB 3.27Å; G41-A521 WeakPolarHBondContact O-CB 3.48Å |
| 42 | I | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 157.4 | 173.4 | 65 | 174.1 | 0 | 0 | 0 | 111.4 | A13 T40 W455 T507 V516 T517 H523 | A13-I42 HydrophobicContact CB-CD1 4.32Å; A13-I42 HydrophobicContact CB-CG1 3.93Å; T40-I42 PolarHBondContact O-N 3.03Å; T40-I42 PolarHBondContact OG1-O 3.16Å; I42-W455 HydrophobicContact CD1-CB 3.99Å; I42-T507 HydrophobicContact CD1-CG2 4.46Å; I42-V516 VanDerWaalsContact CA-O 3.27Å; I42-V516 WeakPolarHBondContact CA-O 3.41Å; I42-T517 HydrophobicContact CG2-CG2 4.06Å; I42-H523 HydrophobicContact CG2-CB 4.32Å |
| 43 | C | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 164 | 166.1 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | F16 C37 V515 V516 | F16-C43 HydrophobicContact CD2-CB 4.09Å; F16-C43 HydrophobicContact CE2-CB 3.78Å; C37-C43 HydrophobicContact CB-CB 4.26Å; C37-C43 VanDerWaalsContact SG-SG 3.61Å; C43-V515 WeakPolarHBondContact O-CA 3.05Å; C43-V516 PolarHBondContact N-O 3.46Å; C43-V516 VanDerWaalsContact N-O 3.08Å; C43-V516 PolarHBondContact O-N 3.01Å |
| 44 | K | 98.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 8% | 0.078 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.9 | 176.2 | -167.1 | 165.9 | 75.1 | 151.1 | 0 | 110.6 | P14 V15 F16 T507 D508 E513 F514 V515 | P14-K44 PolarHBondContact O-N 3.36Å; V15-K44 CarbonylContact C-O 3.57Å; V15-K44 WeakPolarHBondContact CA-O 3.29Å; V15-K44 HydrophobicContact CG1-CB 4.44Å; V15-K44 HydrophobicContact CG2-CB 4.28Å; F16-K44 PolarHBondContact N-O 3.45Å; K44-T507 HydrophobicContact CB-CG2 4.37Å; K44-T507 HydrophobicContact CD-CG2 4.35Å; K44-D508 PolarHBondContact NZ-O 3.43Å; K44-E513 HydrophobicContact CD-CB 4.5Å; K44-E513 VanDerWaalsContact CD-OE2 3.26Å; K44-E513 WeakPolarHBondContact CD-OE2 3.43Å; K44-E513 WeakPolarHBondContact CE-OE2 3.32Å; K44-E513 HydrophobicContact CG-CB 4.44Å; K44-E513 IonicContact NZ-OE1 3.97Å; K44-E513 PolarHBondContact NZ-OE1 3.34Å; K44-E513 IonicContact NZ-OE2 3.78Å; K44-E513 PolarHBondContact NZ-OE2 2.86Å; K44-F514 CarbonylContact C-O 3.46Å; K44-F514 WeakPolarHBondContact CA-O 3.28Å; K44-F514 WeakPolarHBondContact CG-O 3.3Å; K44-V515 HydrophobicContact CG-CG2 4.36Å |
| 45 | I | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.4 | 176.2 | -56 | 175.1 | 0 | 0 | 0 | 108.2 | F16 P18 Y29 L30 I33 P47 W395 F514 V516 | F16-I45 HydrophobicContact CB-CG1 4.38Å; P18-I45 HydrophobicContact CG-CG2 3.98Å; Y29-I45 HydrophobicContact CD1-CD1 4.38Å; Y29-I45 HydrophobicContact CE1-CD1 4.3Å; Y29-I45 HydrophobicContact CE1-CG2 4.47Å; L30-I45 HydrophobicContact CD2-CD1 3.91Å; I33-I45 HydrophobicContact CD1-CD1 3.97Å; I33-I45 HydrophobicContact CD1-CG1 4.36Å; I45-P47 WeakPolarHBondContact O-CD 3.18Å; I45-W395 HydrophobicContact CD1-CH2 4.13Å; I45-W395 HydrophobicContact CD1-CZ3 4.36Å; I45-W395 HydrophobicContact CG2-CH2 4.4Å; I45-F514 HydrophobicContact CB-CB 4.21Å; I45-F514 PolarHBondContact N-O 3.22Å; I45-F514 PolarHBondContact O-N 3.26Å; I45-V516 HydrophobicContact CD1-CG2 3.89Å |
| 46 | V | 97.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | trans | -102.7 | 108 | 176 | -176 | 0 | 0 | 0 | 0 | 107.9 | V15 F16 Y17 P18 E513 | V15-V46 HydrophobicContact CG1-CG2 3.76Å; F16-V46 PolarHBondContact O-N 2.93Å; Y17-V46 HydrophobicContact CD1-CB 3.7Å; Y17-V46 HydrophobicContact CD1-CG1 4.04Å; Y17-V46 HydrophobicContact CD1-CG2 4.26Å; Y17-V46 HydrophobicContact CE1-CB 3.65Å; Y17-V46 HydrophobicContact CE1-CG1 3.87Å; Y17-V46 HydrophobicContact CE1-CG2 3.76Å; P18-V46 WeakPolarHBondContact CD-O 3.43Å; V46-E513 HydrophobicContact CG2-CG 4.24Å; V46-E513 WeakPolarHBondContact CG2-OE1 3.29Å | ||
| 47 | P | 96.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | trans | -57.4 | 158 | 179.8 | -26.9 | 37.2 | 0 | 0 | 0 | 113.2 | F23 I45 W51 G512 F514 | F23-P47 HydrophobicContact CE1-CB 4.46Å; F23-P47 HydrophobicContact CE2-CB 3.87Å; F23-P47 HydrophobicContact CE2-CG 4.16Å; F23-P47 HydrophobicContact CZ-CB 3.7Å; F23-P47 HydrophobicContact CZ-CG 4.06Å; I45-P47 WeakPolarHBondContact O-CD 3.18Å; P47-W51 HydrophobicContact CB-CB 4.31Å; P47-W51 HydrophobicContact CB-CD2 4.27Å; P47-W51 HydrophobicContact CB-CE3 3.62Å; P47-W51 HydrophobicContact CB-CZ3 4.31Å; P47-W51 HydrophobicContact CG-CE3 3.77Å; P47-W51 HydrophobicContact CG-CZ3 3.95Å; P47-G512 WeakPolarHBondContact CD-O 3.47Å; P47-G512 WeakPolarHBondContact CG-O 3.32Å; P47-F514 HydrophobicContact CG-CD2 3.69Å; P47-F514 HydrophobicContact CG-CE2 3.62Å | ||
| 48 | P | 95 | Very high | 92.1 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -55.1 | 141.9 | 170.6 | -22.9 | 32.8 | 0 | 0 | 0 | 111.2 | F23 C50 W51 | F23-P48 HydrophobicContact CB-CG 3.93Å; F23-P48 HydrophobicContact CD1-CG 4.27Å; F23-P48 HydrophobicContact CD2-CG 4.38Å; F23-P48 HydrophobicContact CG-CG 3.94Å; P48-C50 PolarHBondContact O-N 3.5Å; P48-W51 WeakPolarHBondContact O-CB 3.39Å; P48-W51 PolarHBondContact O-N 2.78Å | ||
| 49 | K | 89.5 | Confident | 91.8 | Very high | 217 Ų | 217 | 45.9 Ų | 45.9 | 94% | 0.943 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.2 | -177.7 | -68.9 | -176 | 177.7 | -178.6 | 0 | 115 | W51 | K49-W51 VanDerWaalsContact C-N 3.32Š|
| 50 | C | 86.3 | Confident | 91.4 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -8.5 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 114 | P48 Y390 | P48-C50 PolarHBondContact O-N 3.5Å; C50-Y390 PolarHBondContact O-OH 3.14Å |
| 51 | W | 91.9 | Very high | 90.6 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | trans | -101.1 | 105.8 | 176.1 | -168.2 | 92.4 | 0 | 0 | 0 | 109 | F23 P47 P48 K49 P53 F368 Y390 S393 W395 F446 F514 | F23-W51 HydrophobicContact CD1-CG 4.4Å; F23-W51 HydrophobicContact CE1-CB 4.09Å; F23-W51 AromaticContact CE1-CD1 3.47Å; F23-W51 VanDerWaalsContact CE1-CD1 3.47Å; F23-W51 AromaticContact CE1-CD2 3.75Å; F23-W51 HydrophobicContact CE1-CD2 3.75Å; F23-W51 AromaticContact CE1-CE2 3.87Å; F23-W51 AromaticContact CE1-CG 3.51Å; F23-W51 HydrophobicContact CE1-CG 3.51Å; F23-W51 AromaticContact CE1-NE1 3.68Å; F23-W51 AromaticContact CZ-CD2 3.91Å; F23-W51 HydrophobicContact CZ-CD2 3.91Å; F23-W51 HydrophobicContact CZ-CE3 4.25Å; F23-W51 HydrophobicContact CZ-CG 4.11Å; P47-W51 HydrophobicContact CB-CB 4.31Å; P47-W51 HydrophobicContact CB-CD2 4.27Å; P47-W51 HydrophobicContact CB-CE3 3.62Å; P47-W51 HydrophobicContact CB-CZ3 4.31Å; P47-W51 HydrophobicContact CG-CE3 3.77Å; P47-W51 HydrophobicContact CG-CZ3 3.95Å; P48-W51 WeakPolarHBondContact O-CB 3.39Å; P48-W51 PolarHBondContact O-N 2.78Å; K49-W51 VanDerWaalsContact C-N 3.32Å; W51-P53 HydrophobicContact CE3-CG 4.33Å; W51-P53 HydrophobicContact CH2-CB 4.47Å; W51-P53 HydrophobicContact CH2-CG 3.64Å; W51-P53 HydrophobicContact CZ2-CG 4.15Å; W51-P53 VanDerWaalsContact CZ3-CD 3.44Å; W51-P53 HydrophobicContact CZ3-CG 3.74Å; W51-F368 AromaticContact CH2-CE1 3.73Å; W51-F368 HydrophobicContact CH2-CE1 3.73Å; W51-F368 HydrophobicContact CH2-CZ 4.11Å; W51-F368 HydrophobicContact CZ2-CE1 4.04Å; W51-Y390 AromaticContact CD1-CE1 3.65Å; W51-Y390 HydrophobicContact CD2-CE1 4.24Å; W51-Y390 HydrophobicContact CG-CE1 4.01Å; W51-Y390 AromaticContact NE1-CD1 3.79Å; W51-Y390 AromaticContact NE1-CE1 3.67Å; W51-S393 PolarHBondContact NE1-OG 2.9Å; W51-W395 HydrophobicContact CH2-CB 4.4Å; W51-W395 HydrophobicContact CZ2-CB 3.7Å; W51-F446 AromaticContact CH2-CE2 3.96Å; W51-F446 HydrophobicContact CH2-CE2 3.96Å; W51-F446 AromaticContact CH2-CZ 3.98Å; W51-F446 HydrophobicContact CH2-CZ 3.98Å; W51-F446 HydrophobicContact CZ3-CD2 4.49Å; W51-F446 AromaticContact CZ3-CE2 3.55Å; W51-F446 HydrophobicContact CZ3-CE2 3.55Å; W51-F446 AromaticContact CZ3-CZ 3.63Å; W51-F446 HydrophobicContact CZ3-CZ 3.63Å; W51-F514 AromaticContact CH2-CE2 3.72Å; W51-F514 HydrophobicContact CH2-CE2 3.72Å; W51-F514 AromaticContact CH2-CZ 3.51Å; W51-F514 HydrophobicContact CH2-CZ 3.51Å; W51-F514 HydrophobicContact CZ2-CZ 4.28Å; W51-F514 AromaticContact CZ3-CE2 3.71Å; W51-F514 HydrophobicContact CZ3-CE2 3.71Å; W51-F514 AromaticContact CZ3-CZ 4Å; W51-F514 HydrophobicContact CZ3-CZ 4Å | ||
| 52 | N | 89.1 | Confident | 90.2 | Very high | 113 Ų | 113 | 53.1 Ų | 53.1 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | trans | -144.2 | 86.4 | -178.4 | -174.6 | 31.9 | 0 | 0 | 0 | 108.7 | Y390 | N52-Y390 PolarHBondContact N-OH 3.05Å; N52-Y390 WeakPolarHBondContact O-CE2 3.29Å; N52-Y390 VanDerWaalsContact O-CZ 3.31Å; N52-Y390 PolarHBondContact O-OH 2.91Å | ||
| 53 | P | 91.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 139 | -176.2 | 28.8 | -36.7 | 0 | 0 | 0 | 111 | W51 F368 Y390 F446 | W51-P53 HydrophobicContact CE3-CG 4.33Å; W51-P53 HydrophobicContact CH2-CB 4.47Å; W51-P53 HydrophobicContact CH2-CG 3.64Å; W51-P53 HydrophobicContact CZ2-CG 4.15Å; W51-P53 VanDerWaalsContact CZ3-CD 3.44Å; W51-P53 HydrophobicContact CZ3-CG 3.74Å; P53-F368 HydrophobicContact CB-CD1 4.03Å; P53-F368 HydrophobicContact CB-CE1 3.96Å; P53-F368 HydrophobicContact CG-CD1 4.33Å; P53-F368 HydrophobicContact CG-CE1 3.79Å; P53-Y390 HydrophobicContact CB-CD1 3.76Å; P53-Y390 HydrophobicContact CB-CD2 4.48Å; P53-Y390 HydrophobicContact CB-CE1 4.21Å; P53-Y390 HydrophobicContact CB-CG 3.92Å; P53-F446 HydrophobicContact CG-CE1 3.99Å; P53-F446 HydrophobicContact CG-CZ 3.89Å |
| 54 | P | 88.3 | Confident | 89 | Confident | 43 Ų | 43 | 55.4 Ų | 55.4 | 28% | 0.279 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 137.6 | 174.1 | 29 | -32.7 | 0 | 0 | 0 | 110.4 | A56 P369 A387 Y390 | P54-A56 PolarHBondContact O-N 3.48Å; P54-P369 HydrophobicContact CG-CG 3.8Å; P54-P369 WeakPolarHBondContact O-CD 3.36Å; P54-A387 HydrophobicContact CG-CB 4.28Å; P54-Y390 HydrophobicContact CG-CD2 4.34Å |
| 55 | F | 89.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 117.6 | 174.7 | -173.2 | -117.5 | 0 | 0 | 0 | 110.4 | V57 M59 L309 H448 W449 F532 | F55-V57 HydrophobicContact CD1-CB 4.47Å; F55-V57 HydrophobicContact CE1-CB 3.73Å; F55-V57 HydrophobicContact CE1-CG1 4.34Å; F55-V57 WeakPolarHBondContact CE1-O 3.48Å; F55-V57 HydrophobicContact CE2-CB 4.22Å; F55-V57 HydrophobicContact CE2-CG2 4.45Å; F55-V57 HydrophobicContact CZ-CB 3.59Å; F55-V57 HydrophobicContact CZ-CG1 4.23Å; F55-V57 HydrophobicContact CZ-CG2 4.2Å; F55-M59 HydrophobicContact CE1-CG 4.33Å; F55-L309 HydrophobicContact CE1-CD2 4.33Å; F55-L309 HydrophobicContact CZ-CD2 4.2Å; F55-H448 HydrophobicContact CD2-CB 3.89Å; F55-H448 HydrophobicContact CE2-CB 4.1Å; F55-W449 AromaticContact CD1-CD1 3.95Å; F55-W449 AromaticContact CD1-NE1 3.45Å; F55-W449 AromaticContact CD2-CD1 3.56Å; F55-W449 AromaticContact CD2-NE1 3.47Å; F55-W449 HydrophobicContact CE1-CZ2 4.31Å; F55-W449 AromaticContact CE1-NE1 3.19Å; F55-W449 AromaticContact CE2-CD1 3.77Å; F55-W449 AromaticContact CE2-NE1 3.23Å; F55-W449 AromaticContact CG-CD1 3.66Å; F55-W449 AromaticContact CG-NE1 3.57Å; F55-W449 AromaticContact CZ-CE2 3.99Å; F55-W449 HydrophobicContact CZ-CZ2 4.28Å; F55-W449 AromaticContact CZ-NE1 3.07Å; F55-F532 AromaticContact CE2-CD1 3.48Å; F55-F532 HydrophobicContact CE2-CD1 3.48Å; F55-F532 VanDerWaalsContact CE2-CD1 3.48Å; F55-F532 AromaticContact CE2-CE1 3.61Å; F55-F532 HydrophobicContact CE2-CE1 3.61Å; F55-F532 AromaticContact CE2-CG 3.98Å; F55-F532 HydrophobicContact CE2-CG 3.98Å; F55-F532 HydrophobicContact CE2-CZ 4.19Å; F55-F532 AromaticContact CZ-CD1 3.93Å; F55-F532 HydrophobicContact CZ-CD1 3.93Å; F55-F532 HydrophobicContact CZ-CD2 4.16Å; F55-F532 HydrophobicContact CZ-CE1 4.07Å; F55-F532 HydrophobicContact CZ-CE2 4.3Å; F55-F532 AromaticContact CZ-CG 3.97Å; F55-F532 HydrophobicContact CZ-CG 3.97Å; F55-F532 HydrophobicContact CZ-CZ 4.24Å |
| 56 | A | 85.9 | Confident | 87.9 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 11% | 0.107 | 29% | 0.292 | C | S | . | . | trans | -92 | -9.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P54 G367 P369 M373 | P54-A56 PolarHBondContact O-N 3.48Å; A56-G367 PolarHBondContact N-O 2.95Å; A56-P369 HydrophobicContact CB-CB 4.5Å; A56-P369 HydrophobicContact CB-CG 4.25Å; A56-M373 HydrophobicContact CB-CE 3.79Å; A56-M373 HydrophobicContact CB-SD 4.49Å; A56-M373 WeakPolarHBondContact O-CE 3.43Å | ||
| 57 | V | 83.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -88.1 | 133.3 | -178.6 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | F55 M59 F62 S366 F532 | F55-V57 HydrophobicContact CD1-CB 4.47Å; F55-V57 HydrophobicContact CE1-CB 3.73Å; F55-V57 HydrophobicContact CE1-CG1 4.34Å; F55-V57 WeakPolarHBondContact CE1-O 3.48Å; F55-V57 HydrophobicContact CE2-CB 4.22Å; F55-V57 HydrophobicContact CE2-CG2 4.45Å; F55-V57 HydrophobicContact CZ-CB 3.59Å; F55-V57 HydrophobicContact CZ-CG1 4.23Å; F55-V57 HydrophobicContact CZ-CG2 4.2Å; V57-M59 PolarHBondContact O-N 3.35Å; V57-F62 HydrophobicContact CG1-CB 3.48Å; V57-F62 VanDerWaalsContact CG1-CB 3.48Å; V57-F62 HydrophobicContact CG1-CD2 3.32Å; V57-F62 HydrophobicContact CG1-CE2 4.2Å; V57-F62 HydrophobicContact CG1-CG 3.63Å; V57-F62 HydrophobicContact CG2-CD2 4.4Å; V57-S366 VanDerWaalsContact CG2-O 3.27Å; V57-S366 WeakPolarHBondContact CG2-O 3.24Å; V57-F532 HydrophobicContact CG2-CZ 4.49Å |
| 58 | N | 81.5 | Confident | 86.8 | Confident | 75 Ų | 75 | 57 Ų | 57 | 40% | 0.401 | 29% | 0.292 | S | S | . | . | trans | -79.7 | 111.5 | 171.5 | -176.9 | -16.7 | 0 | 0 | 0 | 110.6 | K60 E61 F62 | N58-K60 PolarHBondContact O-N 3.49Å; N58-K60 PolarHBondContact OD1-N 3.47Å; N58-K60 VanDerWaalsContact OD1-N 3.09Å; N58-E61 HydrophobicContact CB-CB 4.17Å; N58-E61 HydrophobicContact CB-CG 4.43Å; N58-E61 PolarHBondContact ND2-OE1 2.82Å; N58-E61 PolarHBondContact ND2-OE2 2.88Å; N58-E61 PolarHBondContact O-N 3.06Å; N58-E61 VanDerWaalsContact O-N 3.09Å; N58-F62 WeakPolarHBondContact O-CB 3.49Å; N58-F62 PolarHBondContact O-N 2.97Å | ||
| 59 | M | 85.5 | Confident | 86.4 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.7 | -175.5 | -56.6 | -178.3 | 73.7 | 0 | 0 | 114.8 | F55 V57 L309 Q310 W449 F530 | F55-M59 HydrophobicContact CE1-CG 4.33Å; V57-M59 PolarHBondContact O-N 3.35Å; M59-L309 HydrophobicContact CB-CB 4.32Å; M59-L309 HydrophobicContact CE-CG 4.36Å; M59-L309 HydrophobicContact CG-CD2 4.24Å; M59-L309 WeakPolarHBondContact O-CB 3.38Å; M59-L309 PolarHBondContact O-N 3.4Å; M59-Q310 HydrophobicContact CB-CB 4.49Å; M59-Q310 PolarHBondContact O-N 2.94Å; M59-Q310 VanDerWaalsContact O-N 3.09Å; M59-W449 HydrophobicContact CE-CH2 3.76Å; M59-W449 HydrophobicContact CE-CZ2 3.91Å; M59-W449 HydrophobicContact CE-CZ3 4.46Å; M59-F530 HydrophobicContact CE-CE1 4.32Å; M59-F530 HydrophobicContact CE-CZ 4.46Å |
| 60 | K | 83.4 | Confident | 86.2 | Confident | 148 Ų | 148 | 51.1 Ų | 51.1 | 64% | 0.643 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -29.8 | 179.1 | -68.8 | -177.4 | 179.9 | -178.5 | 0 | 113.1 | N58 Q310 | N58-K60 PolarHBondContact O-N 3.49Å; N58-K60 PolarHBondContact OD1-N 3.47Å; N58-K60 VanDerWaalsContact OD1-N 3.09Å; K60-Q310 VanDerWaalsContact CG-OE1 3.25Å |
| 61 | E | 80.3 | Confident | 86.1 | Confident | 145 Ų | 145 | 46.8 Ų | 46.8 | 68% | 0.678 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -25.2 | -176.1 | -67.3 | 170.3 | 174.6 | 0 | 0 | 111.7 | N58 S63 | N58-E61 HydrophobicContact CB-CB 4.17Å; N58-E61 HydrophobicContact CB-CG 4.43Å; N58-E61 PolarHBondContact ND2-OE1 2.82Å; N58-E61 PolarHBondContact ND2-OE2 2.88Å; N58-E61 PolarHBondContact O-N 3.06Å; N58-E61 VanDerWaalsContact O-N 3.09Å; E61-S63 PolarHBondContact O-N 2.87Å |
| 62 | F | 85 | Confident | 85.4 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | trans | -69.2 | 100 | 173.9 | -170.9 | -84.1 | 0 | 0 | 0 | 110.2 | V57 N58 F64 S308 L309 I359 Q364 V425 F532 | V57-F62 HydrophobicContact CG1-CB 3.48Å; V57-F62 VanDerWaalsContact CG1-CB 3.48Å; V57-F62 HydrophobicContact CG1-CD2 3.32Å; V57-F62 HydrophobicContact CG1-CE2 4.2Å; V57-F62 HydrophobicContact CG1-CG 3.63Å; V57-F62 HydrophobicContact CG2-CD2 4.4Å; N58-F62 WeakPolarHBondContact O-CB 3.49Å; N58-F62 PolarHBondContact O-N 2.97Å; F62-F64 AromaticContact CD1-CD1 3.84Å; F62-F64 HydrophobicContact CD1-CD1 3.84Å; F62-F64 HydrophobicContact CD1-CE1 4.48Å; F62-F64 HydrophobicContact CE1-CB 4.27Å; F62-F64 AromaticContact CE1-CD1 3.62Å; F62-F64 HydrophobicContact CE1-CD1 3.62Å; F62-F64 HydrophobicContact CE1-CE1 4.33Å; F62-F64 HydrophobicContact CE1-CG 4.2Å; F62-S308 CarbonylContact O-C 3.45Å; F62-S308 VanDerWaalsContact O-CA 3.27Å; F62-S308 WeakPolarHBondContact O-CA 3.45Å; F62-L309 HydrophobicContact CB-CB 4.38Å; F62-L309 HydrophobicContact CD1-CB 4.09Å; F62-L309 HydrophobicContact CD1-CD2 4.42Å; F62-L309 PolarHBondContact O-N 3.09Å; F62-I359 HydrophobicContact CE1-CD1 4.16Å; F62-I359 HydrophobicContact CE2-CG2 4.38Å; F62-I359 HydrophobicContact CZ-CD1 4.12Å; F62-I359 HydrophobicContact CZ-CG2 3.79Å; F62-Q364 HydrophobicContact CD2-CB 3.61Å; F62-Q364 WeakPolarHBondContact CD2-O 3.35Å; F62-Q364 HydrophobicContact CE2-CB 3.32Å; F62-Q364 HydrophobicContact CE2-CG 4.29Å; F62-Q364 HydrophobicContact CZ-CB 4.06Å; F62-V425 HydrophobicContact CE1-CG2 4.15Å; F62-F532 HydrophobicContact CE1-CE2 4.28Å; F62-F532 HydrophobicContact CE2-CE2 4.23Å; F62-F532 AromaticContact CZ-CE2 3.9Å; F62-F532 HydrophobicContact CZ-CE2 3.9Å; F62-F532 HydrophobicContact CZ-CZ 4.49Å | ||
| 63 | S | 84 | Confident | 84.8 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.9 | 175.7 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | E61 Y307 Q364 | E61-S63 PolarHBondContact O-N 2.87Å; S63-Y307 WeakPolarHBondContact CA-O 3.23Å; S63-Q364 VanDerWaalsContact O-CD 3.32Å; S63-Q364 PolarHBondContact O-NE2 3.16Å |
| 64 | F | 87.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.4 | 174 | 68.1 | -79.5 | 0 | 0 | 0 | 110.3 | F62 P66 T306 Y307 L309 F312 I359 V425 | F62-F64 AromaticContact CD1-CD1 3.84Å; F62-F64 HydrophobicContact CD1-CD1 3.84Å; F62-F64 HydrophobicContact CD1-CE1 4.48Å; F62-F64 HydrophobicContact CE1-CB 4.27Å; F62-F64 AromaticContact CE1-CD1 3.62Å; F62-F64 HydrophobicContact CE1-CD1 3.62Å; F62-F64 HydrophobicContact CE1-CE1 4.33Å; F62-F64 HydrophobicContact CE1-CG 4.2Å; F64-P66 HydrophobicContact CD2-CB 4.46Å; F64-P66 HydrophobicContact CE2-CB 3.98Å; F64-P66 WeakPolarHBondContact O-CD 3.5Å; F64-T306 WeakPolarHBondContact O-CG2 3.15Å; F64-Y307 PolarHBondContact N-O 2.88Å; F64-Y307 PolarHBondContact O-N 2.88Å; F64-L309 HydrophobicContact CE1-CD1 4.23Å; F64-F312 HydrophobicContact CE1-CB 4.28Å; F64-F312 HydrophobicContact CE1-CG 4.44Å; F64-F312 HydrophobicContact CE2-CD2 4.26Å; F64-F312 HydrophobicContact CE2-CE2 4.45Å; F64-F312 HydrophobicContact CZ-CB 4.01Å; F64-F312 HydrophobicContact CZ-CD1 4.23Å; F64-F312 AromaticContact CZ-CD2 3.73Å; F64-F312 HydrophobicContact CZ-CD2 3.73Å; F64-F312 HydrophobicContact CZ-CE2 4.24Å; F64-F312 AromaticContact CZ-CG 3.71Å; F64-F312 HydrophobicContact CZ-CG 3.71Å; F64-I359 HydrophobicContact CB-CD1 3.67Å; F64-I359 HydrophobicContact CB-CG1 4.35Å; F64-I359 HydrophobicContact CD1-CD1 4.49Å; F64-I359 HydrophobicContact CD2-CD1 3.88Å; F64-I359 HydrophobicContact CG-CD1 3.76Å; F64-V425 HydrophobicContact CD1-CG2 4.37Å; F64-V425 HydrophobicContact CE1-CB 4.26Å; F64-V425 HydrophobicContact CE1-CG1 4.1Å; F64-V425 HydrophobicContact CE1-CG2 3.95Å; F64-V425 HydrophobicContact CE2-CB 4.14Å; F64-V425 HydrophobicContact CE2-CG1 4.44Å; F64-V425 HydrophobicContact CE2-CG2 4.37Å; F64-V425 HydrophobicContact CZ-CB 3.77Å; F64-V425 HydrophobicContact CZ-CG1 3.65Å; F64-V425 HydrophobicContact CZ-CG2 3.95Å |
| 65 | T | 86.6 | Confident | 84.1 | Confident | 37 Ų | 37 | 42 Ų | 42 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | trans | -96.1 | 110.1 | 174.4 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | Q302 S303 T306 | T65-Q302 HydrophobicContact CG2-CB 4.47Å; T65-S303 WeakPolarHBondContact CG2-O 3.41Å; T65-T306 PolarHBondContact OG1-OG1 3.31Å; T65-T306 VanDerWaalsContact OG1-OG1 3.14Å | ||
| 66 | P | 86.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 150.5 | -178 | 28.7 | -33 | 0 | 0 | 0 | 111.3 | F64 S303 K305 Y307 F312 E354 Y355 | F64-P66 HydrophobicContact CD2-CB 4.46Å; F64-P66 HydrophobicContact CE2-CB 3.98Å; F64-P66 WeakPolarHBondContact O-CD 3.5Å; P66-S303 VanDerWaalsContact O-CB 3.31Å; P66-S303 WeakPolarHBondContact O-CB 3.3Å; P66-S303 PolarHBondContact O-N 3.39Å; P66-K305 VanDerWaalsContact CD-O 3.27Å; P66-K305 WeakPolarHBondContact CD-O 3.49Å; P66-Y307 HydrophobicContact CG-CD2 3.63Å; P66-Y307 HydrophobicContact CG-CE2 3.89Å; P66-F312 HydrophobicContact CB-CE2 4.2Å; P66-E354 HydrophobicContact CB-CB 4.09Å; P66-E354 HydrophobicContact CG-CB 4.49Å; P66-Y355 CarbonylContact C-O 3.59Å; P66-Y355 VanDerWaalsContact CA-O 3.26Å; P66-Y355 WeakPolarHBondContact CA-O 3.38Å |
| 67 | R | 85.6 | Confident | 83.3 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 150.4 | 166.1 | -63.8 | -176.9 | -166 | -173.5 | 14 | 109.6 | F300 P301 Q302 E354 Y355 D358 | R67-F300 HydrophobicContact CB-CB 4.29Å; R67-P301 CarbonylContact C-O 3.12Å; R67-P301 WeakPolarHBondContact CA-O 3.34Å; R67-Q302 HydrophobicContact CG-CG 4.28Å; R67-E354 CarbonylContact O-C 3.57Å; R67-E354 WeakPolarHBondContact O-CA 3.4Å; R67-Y355 HydrophobicContact CB-CD1 3.88Å; R67-Y355 HydrophobicContact CB-CE1 3.32Å; R67-Y355 HydrophobicContact CG-CE1 4.44Å; R67-Y355 PolarHBondContact N-O 2.98Å; R67-Y355 VanDerWaalsContact O-CD1 3.25Å; R67-Y355 WeakPolarHBondContact O-CD1 3.31Å; R67-Y355 PolarHBondContact O-N 2.92Å; R67-D358 IonicContact CZ-OD2 3.59Å; R67-D358 IonicContact NH1-OD2 2.69Å; R67-D358 IonicContact NH2-OD2 2.88Å; R67-D358 PolarHBondContact NH2-OD2 3.04Å |
| 68 | I | 85.6 | Confident | 82.9 | Confident | 38 Ų | 38 | 41.3 Ų | 41.3 | 20% | 0.195 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.8 | -177.8 | -60.2 | 172.1 | 0 | 0 | 0 | 109.2 | F300 P301 V352 E354 | I68-F300 WeakPolarHBondContact O-CB 3.15Å; I68-P301 HydrophobicContact CB-CG 4.22Å; I68-P301 PolarHBondContact N-O 3.45Å; I68-V352 HydrophobicContact CG2-CG1 3.39Å; I68-E354 HydrophobicContact CG1-CG 4.43Å |
| 69 | Q | 86.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120 | 173.9 | -66.9 | -176.9 | -24.5 | 0 | 0 | 110.3 | F300 V352 V353 Y355 S431 | Q69-F300 HydrophobicContact CB-CD1 4.38Å; Q69-F300 HydrophobicContact CB-CE1 4.38Å; Q69-F300 HydrophobicContact CG-CD1 3.74Å; Q69-F300 HydrophobicContact CG-CD2 4.45Å; Q69-F300 HydrophobicContact CG-CE1 3.82Å; Q69-F300 HydrophobicContact CG-CE2 4.5Å; Q69-F300 HydrophobicContact CG-CG 4.08Å; Q69-F300 HydrophobicContact CG-CZ 4.21Å; Q69-V352 WeakPolarHBondContact O-CA 3.48Å; Q69-V353 HydrophobicContact CB-CG2 3.81Å; Q69-V353 PolarHBondContact N-O 2.85Å; Q69-V353 PolarHBondContact O-N 2.89Å; Q69-Y355 VanDerWaalsContact CD-CE1 3.45Å; Q69-Y355 HydrophobicContact CG-CD1 3.64Å; Q69-Y355 HydrophobicContact CG-CE1 3.33Å; Q69-Y355 VanDerWaalsContact NE2-CE1 3.29Å; Q69-Y355 VanDerWaalsContact NE2-CZ 3.32Å; Q69-S431 PolarHBondContact NE2-O 2.88Å; Q69-S431 PolarHBondContact OE1-O 3.25Å; Q69-S431 PolarHBondContact OE1-OG 3.32Å |
| 70 | R | 84.8 | Confident | 82.2 | Confident | 109 Ų | 109 | 36.1 Ų | 36.1 | 41% | 0.411 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 107.3 | 166.9 | -59.9 | -173.4 | -179.3 | -160.5 | 2.5 | 107.9 | Y72 E73 V352 | R70-Y72 HydrophobicContact CB-CD1 4.17Å; R70-Y72 HydrophobicContact CB-CE1 3.71Å; R70-Y72 WeakPolarHBondContact CD-OH 3.16Å; R70-Y72 HydrophobicContact CG-CE1 4.37Å; R70-Y72 PolarHBondContact NH1-OH 2.97Å; R70-Y72 PolarHBondContact O-N 3.12Å; R70-E73 HydrophobicContact CB-CB 4.42Å; R70-E73 HydrophobicContact CB-CG 3.96Å; R70-E73 WeakPolarHBondContact CD-OE1 3.49Å; R70-E73 WeakPolarHBondContact O-CB 3.07Å; R70-E73 PolarHBondContact O-N 3.18Å; R70-V352 HydrophobicContact CG-CG1 4.46Å; R70-V352 HydrophobicContact CG-CG2 4.17Å |
| 71 | L | 85.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -34.5 | -166.3 | -63.4 | -177.7 | 0 | 0 | 0 | 112.9 | E73 L74 F340 I343 L344 V351 V353 F429 | L71-E73 PolarHBondContact O-N 3.4Å; L71-L74 HydrophobicContact CD2-CD1 3.7Å; L71-L74 WeakPolarHBondContact O-CB 3.45Å; L71-L74 PolarHBondContact O-N 3.22Å; L71-L74 VanDerWaalsContact O-N 3.15Å; L71-F340 HydrophobicContact CD2-CE2 4.42Å; L71-I343 HydrophobicContact CB-CG2 3.91Å; L71-I343 HydrophobicContact CD1-CD1 4.39Å; L71-I343 HydrophobicContact CD1-CG2 4.03Å; L71-L344 HydrophobicContact CB-CD1 4.26Å; L71-V351 HydrophobicContact CD1-CB 4.05Å; L71-V351 HydrophobicContact CD1-CG1 3.7Å; L71-V351 HydrophobicContact CG-CG1 4.45Å; L71-V351 PolarHBondContact N-O 2.94Å; L71-V353 HydrophobicContact CD1-CG1 4.39Å; L71-V353 HydrophobicContact CD2-CG2 3.81Å; L71-V353 HydrophobicContact CG-CG2 4.35Å; L71-F429 HydrophobicContact CD1-CB 3.61Å; L71-F429 HydrophobicContact CD1-CD2 4.27Å; L71-F429 HydrophobicContact CD1-CG 4.14Å; L71-F429 HydrophobicContact CD2-CB 4.48Å |
| 72 | Y | 76.2 | Confident | 81.5 | Confident | 34 Ų | 34 | 26.8 Ų | 26.8 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.4 | -21.1 | 178.3 | 73.3 | -95 | 0 | 0 | 0 | 113.3 | R70 S78 L82 D350 | R70-Y72 HydrophobicContact CB-CD1 4.17Å; R70-Y72 HydrophobicContact CB-CE1 3.71Å; R70-Y72 WeakPolarHBondContact CD-OH 3.16Å; R70-Y72 HydrophobicContact CG-CE1 4.37Å; R70-Y72 PolarHBondContact NH1-OH 2.97Å; R70-Y72 PolarHBondContact O-N 3.12Å; Y72-S78 WeakPolarHBondContact O-CB 3.28Å; Y72-L82 HydrophobicContact CD2-CD1 3.66Å; Y72-L82 HydrophobicContact CD2-CD2 4.49Å; Y72-L82 HydrophobicContact CE2-CD1 3.63Å; Y72-L82 HydrophobicContact CE2-CD2 4.19Å; Y72-D350 VanDerWaalsContact CE1-OD1 3.23Å; Y72-D350 WeakPolarHBondContact CE1-OD1 3.15Å |
| 73 | E | 76.6 | Confident | 81 | Confident | 65 Ų | 65 | 27.8 Ų | 27.8 | 30% | 0.304 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -83.2 | -16.1 | 177.9 | -61.3 | -177.5 | 170.4 | 0 | 0 | 112.2 | R70 L71 R79 L82 | R70-E73 HydrophobicContact CB-CB 4.42Å; R70-E73 HydrophobicContact CB-CG 3.96Å; R70-E73 WeakPolarHBondContact CD-OE1 3.49Å; R70-E73 WeakPolarHBondContact O-CB 3.07Å; R70-E73 PolarHBondContact O-N 3.18Å; L71-E73 PolarHBondContact O-N 3.4Å; E73-R79 PolarHBondContact O-NE 3.22Å; E73-R79 PolarHBondContact O-NH2 3.17Å; E73-L82 HydrophobicContact CG-CD1 4.14Å |
| 74 | L | 81.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.7 | -37.1 | -176.3 | -59.8 | 177.2 | 0 | 0 | 0 | 113 | L71 F300 L344 S431 T490 N491 | L71-L74 HydrophobicContact CD2-CD1 3.7Å; L71-L74 WeakPolarHBondContact O-CB 3.45Å; L71-L74 PolarHBondContact O-N 3.22Å; L71-L74 VanDerWaalsContact O-N 3.15Å; L74-F300 HydrophobicContact CD2-CE1 3.29Å; L74-F300 HydrophobicContact CD2-CZ 3.25Å; L74-L344 HydrophobicContact CB-CD2 4.34Å; L74-S431 WeakPolarHBondContact CD1-OG 3.04Å; L74-T490 WeakPolarHBondContact O-CA 3.3Å; L74-N491 PolarHBondContact O-N 3.06Å |
| 75 | E | 83.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 128.6 | -175.9 | -178.2 | 62.4 | -161.6 | 0 | 0 | 111.1 | H77 S78 R79 L344 N491 I492 | E75-H77 VanDerWaalsContact C-N 3.31Å; E75-H77 HydrophobicContact CG-CB 4.46Å; E75-H77 PolarHBondContact O-N 2.75Å; E75-H77 IonicContact OE1-ND1 3.85Å; E75-H77 PolarHBondContact OE1-ND1 2.8Å; E75-S78 PolarHBondContact O-N 2.82Å; E75-S78 VanDerWaalsContact O-N 3.11Å; E75-R79 PolarHBondContact O-N 2.85Å; E75-L344 HydrophobicContact CB-CB 4.09Å; E75-L344 HydrophobicContact CB-CD2 4.42Å; E75-L344 HydrophobicContact CB-CG 4.43Å; E75-L344 VanDerWaalsContact CB-O 3.28Å; E75-L344 WeakPolarHBondContact CB-O 3.12Å; E75-N491 WeakPolarHBondContact CA-O 3.31Å; E75-N491 VanDerWaalsContact OE2-O 3.1Å; E75-I492 WeakPolarHBondContact OE2-CA 3.47Å |
| 76 | A | 80.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -53.6 | -46.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S78 R79 I80 A474 L477 T490 N491 I492 | A76-S78 VanDerWaalsContact C-N 3.34Å; A76-S78 PolarHBondContact O-N 3.05Å; A76-R79 PolarHBondContact O-N 2.86Å; A76-I80 WeakPolarHBondContact O-CG1 3.29Å; A76-I80 PolarHBondContact O-N 3.17Å; A76-A474 HydrophobicContact CB-CB 3.86Å; A76-L477 HydrophobicContact CB-CD1 4.08Å; A76-T490 HydrophobicContact CB-CG2 3.54Å; A76-N491 PolarHBondContact N-O 3.13Å; A76-I492 HydrophobicContact CB-CD1 4.11Å; A76-I492 HydrophobicContact CB-CG1 3.86Å |
| 77 | H | 79.2 | Confident | 79.3 | Confident | 66 Ų | 66 | 32 Ų | 32 | 31% | 0.306 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.1 | -40.1 | -178.8 | -63.2 | 96.6 | 0 | 0 | 0 | 112.2 | E75 K81 H473 | E75-H77 VanDerWaalsContact C-N 3.31Å; E75-H77 HydrophobicContact CG-CB 4.46Å; E75-H77 PolarHBondContact O-N 2.75Å; E75-H77 IonicContact OE1-ND1 3.85Å; E75-H77 PolarHBondContact OE1-ND1 2.8Å; H77-K81 WeakPolarHBondContact O-CG 3.49Å; H77-K81 PolarHBondContact O-N 3.41Å; H77-H473 AromaticContact NE2-ND1 3.89Å |
| 78 | S | 74.6 | Confident | 79.2 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.1 | -43.7 | 177.2 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | Y72 E75 A76 I80 K81 L82 L344 | Y72-S78 WeakPolarHBondContact O-CB 3.28Å; E75-S78 PolarHBondContact O-N 2.82Å; E75-S78 VanDerWaalsContact O-N 3.11Å; A76-S78 VanDerWaalsContact C-N 3.34Å; A76-S78 PolarHBondContact O-N 3.05Å; S78-I80 PolarHBondContact O-N 2.97Å; S78-K81 WeakPolarHBondContact O-CB 3.25Å; S78-K81 PolarHBondContact O-N 3.08Å; S78-L82 VanDerWaalsContact O-CG 3.31Å; S78-L82 WeakPolarHBondContact O-CG 3.43Å; S78-L82 PolarHBondContact O-N 3.47Å; S78-L344 PolarHBondContact OG-O 3.06Å |
| 79 | R | 76.9 | Confident | 78.7 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.1 | -170 | 174.4 | -68.6 | 173.2 | -4.9 | 113.4 | E73 E75 A76 K81 L82 N83 L477 T489 T490 | E73-R79 PolarHBondContact O-NE 3.22Å; E73-R79 PolarHBondContact O-NH2 3.17Å; E75-R79 PolarHBondContact O-N 2.85Å; A76-R79 PolarHBondContact O-N 2.86Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 3.45Å; R79-L82 PolarHBondContact O-N 2.85Å; R79-N83 WeakPolarHBondContact O-CB 3.36Å; R79-N83 PolarHBondContact O-N 3.49Å; R79-L477 HydrophobicContact CB-CD1 4.35Å; R79-L477 HydrophobicContact CG-CD2 4.16Å; R79-T489 VanDerWaalsContact CZ-O 3.3Å; R79-T489 PolarHBondContact NH1-O 3.38Å; R79-T489 VanDerWaalsContact NH1-O 3.14Å; R79-T489 PolarHBondContact NH1-OG1 3.21Å; R79-T489 PolarHBondContact NH2-O 2.9Å; R79-T490 PolarHBondContact NH1-OG1 3.34Å |
| 80 | I | 76.1 | Confident | 78.1 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.2 | -68.8 | 165.7 | 0 | 0 | 0 | 110.7 | A76 S78 L82 N83 F84 Y113 E476 L477 | A76-I80 WeakPolarHBondContact O-CG1 3.29Å; A76-I80 PolarHBondContact O-N 3.17Å; S78-I80 PolarHBondContact O-N 2.97Å; I80-L82 PolarHBondContact O-N 3.06Å; I80-N83 PolarHBondContact O-N 2.96Å; I80-F84 PolarHBondContact O-N 3.37Å; I80-Y113 HydrophobicContact CG2-CE1 4.17Å; I80-Y113 HydrophobicContact CG2-CE2 3.67Å; I80-Y113 VanDerWaalsContact CG2-CZ 3.42Å; I80-Y113 VanDerWaalsContact CG2-OH 3.27Å; I80-Y113 WeakPolarHBondContact CG2-OH 3.27Å; I80-E476 HydrophobicContact CG1-CB 4.43Å; I80-E476 HydrophobicContact CG2-CB 4.41Å; I80-E476 WeakPolarHBondContact CG2-OE2 3.47Å; I80-L477 HydrophobicContact CD1-CD1 4.37Å; I80-L477 HydrophobicContact CD1-CG 4.15Å; I80-L477 HydrophobicContact CG1-CD1 3.94Å; I80-L477 HydrophobicContact CG1-CD2 3.98Å; I80-L477 HydrophobicContact CG1-CG 3.58Å |
| 81 | K | 75.2 | Confident | 77.9 | Confident | 46 Ų | 46 | 33.5 Ų | 33.5 | 20% | 0.2 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 177.3 | -69.6 | -177.5 | -177.3 | -163 | 0 | 111.9 | H77 S78 R79 F84 I85 D111 Y113 Y347 | H77-K81 WeakPolarHBondContact O-CG 3.49Å; H77-K81 PolarHBondContact O-N 3.41Å; S78-K81 WeakPolarHBondContact O-CB 3.25Å; S78-K81 PolarHBondContact O-N 3.08Å; R79-K81 VanDerWaalsContact C-N 3.33Å; R79-K81 PolarHBondContact O-N 3.45Å; K81-F84 WeakPolarHBondContact O-CB 3.32Å; K81-F84 PolarHBondContact O-N 3.41Å; K81-I85 VanDerWaalsContact O-CG1 3.27Å; K81-I85 WeakPolarHBondContact O-CG1 3.38Å; K81-I85 PolarHBondContact O-N 3Å; K81-D111 IonicContact NZ-OD2 3.7Å; K81-D111 PolarHBondContact NZ-OD2 3.22Å; K81-Y113 HydrophobicContact CD-CD1 4.32Å; K81-Y113 HydrophobicContact CG-CD1 3.5Å; K81-Y113 VanDerWaalsContact CG-CD1 3.5Å; K81-Y113 HydrophobicContact CG-CE1 4.12Å; K81-Y113 HydrophobicContact CG-CG 3.91Å; K81-Y347 HydrophobicContact CD-CE1 4.11Å |
| 82 | L | 73.2 | Confident | 77.6 | Confident | 50 Ų | 50 | 35 Ų | 35 | 26% | 0.262 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 178 | -68.6 | 165.9 | 0 | 0 | 0 | 112.1 | Y72 E73 S78 R79 I80 F84 I85 S86 | Y72-L82 HydrophobicContact CD2-CD1 3.66Å; Y72-L82 HydrophobicContact CD2-CD2 4.49Å; Y72-L82 HydrophobicContact CE2-CD1 3.63Å; Y72-L82 HydrophobicContact CE2-CD2 4.19Å; E73-L82 HydrophobicContact CG-CD1 4.14Å; S78-L82 VanDerWaalsContact O-CG 3.31Å; S78-L82 WeakPolarHBondContact O-CG 3.43Å; S78-L82 PolarHBondContact O-N 3.47Å; R79-L82 PolarHBondContact O-N 2.85Å; I80-L82 PolarHBondContact O-N 3.06Å; L82-F84 VanDerWaalsContact C-N 3.28Å; L82-F84 PolarHBondContact O-N 3.4Å; L82-I85 PolarHBondContact O-N 2.78Å; L82-S86 VanDerWaalsContact O-CB 3.25Å; L82-S86 WeakPolarHBondContact O-CB 3.49Å; L82-S86 PolarHBondContact O-N 3.04Å |
| 83 | N | 74.5 | Confident | 77.4 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 175.8 | -76.2 | -1.2 | 0 | 0 | 0 | 110.6 | R79 I80 R87 | R79-N83 WeakPolarHBondContact O-CB 3.36Å; R79-N83 PolarHBondContact O-N 3.49Å; I80-N83 PolarHBondContact O-N 2.96Å; N83-R87 WeakPolarHBondContact O-CB 3.27Å; N83-R87 WeakPolarHBondContact O-CD 3.47Å; N83-R87 WeakPolarHBondContact O-CG 3.48Å; N83-R87 PolarHBondContact O-N 3.46Å |
| 84 | F | 78.9 | Confident | 77.2 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 173.7 | 175.8 | -95.4 | 0 | 0 | 0 | 112.4 | I80 K81 L82 S86 R87 L88 L112 Y113 H116 L159 F162 | I80-F84 PolarHBondContact O-N 3.37Å; K81-F84 WeakPolarHBondContact O-CB 3.32Å; K81-F84 PolarHBondContact O-N 3.41Å; L82-F84 VanDerWaalsContact C-N 3.28Å; L82-F84 PolarHBondContact O-N 3.4Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 3.28Å; F84-R87 PolarHBondContact O-N 3.39Å; F84-L88 HydrophobicContact CE1-CD2 4.25Å; F84-L88 WeakPolarHBondContact O-CB 3.27Å; F84-L88 PolarHBondContact O-N 3.18Å; F84-L112 HydrophobicContact CE1-CB 4.31Å; F84-Y113 HydrophobicContact CB-CD2 3.61Å; F84-Y113 HydrophobicContact CB-CE2 4.35Å; F84-Y113 HydrophobicContact CB-CG 4.41Å; F84-Y113 HydrophobicContact CD1-CD2 4.04Å; F84-Y113 HydrophobicContact CD1-CG 4.37Å; F84-Y113 HydrophobicContact CD2-CD2 4.03Å; F84-Y113 AromaticContact CG-CD2 3.63Å; F84-Y113 HydrophobicContact CG-CD2 3.63Å; F84-Y113 HydrophobicContact CG-CG 4.38Å; F84-H116 AromaticContact CD2-CD2 4Å; F84-H116 HydrophobicContact CE1-CB 4.35Å; F84-H116 HydrophobicContact CE2-CB 3.88Å; F84-H116 AromaticContact CE2-CD2 3.3Å; F84-H116 WeakPolarHBondContact CE2-CD2 3.48Å; F84-H116 AromaticContact CE2-CG 3.47Å; F84-H116 VanDerWaalsContact CE2-CG 3.47Å; F84-H116 AromaticContact CE2-NE2 3.79Å; F84-H116 HydrophobicContact CZ-CB 3.54Å; F84-H116 AromaticContact CZ-CD2 3.93Å; F84-H116 AromaticContact CZ-CG 3.64Å; F84-L159 HydrophobicContact CE1-CD2 4.19Å; F84-L159 HydrophobicContact CZ-CD2 3.83Å; F84-F162 HydrophobicContact CD2-CE1 4.23Å; F84-F162 HydrophobicContact CE2-CD1 4.24Å; F84-F162 AromaticContact CE2-CE1 3.59Å; F84-F162 HydrophobicContact CE2-CE1 3.59Å; F84-F162 HydrophobicContact CE2-CZ 4.34Å; F84-F162 HydrophobicContact CZ-CE1 4.25Å |
| 85 | I | 78.3 | Confident | 76.7 | Confident | 76 Ų | 76 | 39 Ų | 39 | 39% | 0.39 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.7 | -40.4 | -180 | -69 | 167.3 | 0 | 0 | 0 | 110.9 | K81 L82 L88 Y89 | K81-I85 VanDerWaalsContact O-CG1 3.27Å; K81-I85 WeakPolarHBondContact O-CG1 3.38Å; K81-I85 PolarHBondContact O-N 3Å; L82-I85 PolarHBondContact O-N 2.78Å; I85-L88 PolarHBondContact O-N 3.16Å; I85-Y89 WeakPolarHBondContact O-CB 3.47Å; I85-Y89 PolarHBondContact O-N 3.24Å |
| 86 | S | 74.1 | Confident | 75.9 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 30% | 0.301 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | L82 F84 L88 Y89 K90 | L82-S86 VanDerWaalsContact O-CB 3.25Å; L82-S86 WeakPolarHBondContact O-CB 3.49Å; L82-S86 PolarHBondContact O-N 3.04Å; F84-S86 VanDerWaalsContact C-N 3.31Å; F84-S86 PolarHBondContact O-N 3.28Å; S86-L88 VanDerWaalsContact C-N 3.34Å; S86-L88 PolarHBondContact O-N 3.42Å; S86-Y89 PolarHBondContact O-N 3.36Å; S86-K90 WeakPolarHBondContact O-CB 3.39Å; S86-K90 WeakPolarHBondContact O-CG 3.13Å; S86-K90 PolarHBondContact O-N 3.3Å |
| 87 | R | 78.7 | Confident | 75.4 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 174.1 | -71.6 | 168 | 68.5 | -158.3 | -1.2 | 111.9 | N83 F84 F91 F162 C291 | N83-R87 WeakPolarHBondContact O-CB 3.27Å; N83-R87 WeakPolarHBondContact O-CD 3.47Å; N83-R87 WeakPolarHBondContact O-CG 3.48Å; N83-R87 PolarHBondContact O-N 3.46Å; F84-R87 PolarHBondContact O-N 3.39Å; R87-F91 WeakPolarHBondContact O-CB 3.19Å; R87-F91 PolarHBondContact O-N 3.09Å; R87-F162 HydrophobicContact CB-CE2 4.22Å; R87-F162 HydrophobicContact CB-CZ 4.16Å; R87-C291 PolarHBondContact NE-O 2.91Å; R87-C291 PolarHBondContact NH2-O 3.47Å |
| 88 | L | 81.7 | Confident | 74.5 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.3 | -175.9 | 65.8 | 0 | 0 | 0 | 111.5 | F84 I85 S86 F91 V92 I100 L112 L159 F162 | F84-L88 HydrophobicContact CE1-CD2 4.25Å; F84-L88 WeakPolarHBondContact O-CB 3.27Å; F84-L88 PolarHBondContact O-N 3.18Å; I85-L88 PolarHBondContact O-N 3.16Å; S86-L88 VanDerWaalsContact C-N 3.34Å; S86-L88 PolarHBondContact O-N 3.42Å; L88-F91 WeakPolarHBondContact O-CB 3.48Å; L88-F91 PolarHBondContact O-N 2.79Å; L88-V92 WeakPolarHBondContact O-CG2 3.41Å; L88-V92 PolarHBondContact O-N 3.18Å; L88-I100 HydrophobicContact CB-CD1 4.34Å; L88-I100 HydrophobicContact CD2-CD1 3.9Å; L88-I100 HydrophobicContact CG-CD1 3.65Å; L88-L112 HydrophobicContact CD2-CD1 3.93Å; L88-L159 HydrophobicContact CD1-CD2 4Å; L88-L159 HydrophobicContact CD2-CD2 3.67Å; L88-L159 HydrophobicContact CG-CD2 4.5Å; L88-F162 HydrophobicContact CD1-CB 3.57Å; L88-F162 HydrophobicContact CD1-CD1 4.11Å; L88-F162 HydrophobicContact CD1-CD2 3.79Å; L88-F162 HydrophobicContact CD1-CG 3.55Å |
| 89 | Y | 75.6 | Confident | 74.1 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 42% | 0.42 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.9 | -166.1 | -95.1 | 0 | 0 | 0 | 111.3 | I85 S86 F91 V92 Q93 D98 I100 | I85-Y89 WeakPolarHBondContact O-CB 3.47Å; I85-Y89 PolarHBondContact O-N 3.24Å; S86-Y89 PolarHBondContact O-N 3.36Å; Y89-F91 VanDerWaalsContact C-N 3.31Å; Y89-F91 PolarHBondContact O-N 3.34Å; Y89-V92 PolarHBondContact O-N 2.95Å; Y89-Q93 WeakPolarHBondContact O-CB 3.46Å; Y89-Q93 PolarHBondContact O-N 2.68Å; Y89-D98 PolarHBondContact OH-O 2.94Å; Y89-D98 VanDerWaalsContact OH-O 3.06Å; Y89-I100 HydrophobicContact CD2-CD1 4.22Å; Y89-I100 HydrophobicContact CD2-CG1 4.47Å |
| 90 | K | 74.8 | Confident | 73.9 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 172.6 | -76 | 178.6 | -178.9 | 179.3 | 0 | 111.5 | S86 Q93 L94 | S86-K90 WeakPolarHBondContact O-CB 3.39Å; S86-K90 WeakPolarHBondContact O-CG 3.13Å; S86-K90 PolarHBondContact O-N 3.3Å; K90-Q93 PolarHBondContact O-N 2.9Å; K90-L94 WeakPolarHBondContact O-CB 3.38Å; K90-L94 VanDerWaalsContact O-CG 3.23Å; K90-L94 WeakPolarHBondContact O-CG 3.24Å; K90-L94 PolarHBondContact O-N 3.31Å |
| 91 | F | 80.9 | Confident | 73.9 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -50 | 175.9 | 171.9 | -101.9 | 0 | 0 | 0 | 112 | R87 L88 Y89 Q93 L94 Q95 S161 F162 A165 I287 | R87-F91 WeakPolarHBondContact O-CB 3.19Å; R87-F91 PolarHBondContact O-N 3.09Å; L88-F91 WeakPolarHBondContact O-CB 3.48Å; L88-F91 PolarHBondContact O-N 2.79Å; Y89-F91 VanDerWaalsContact C-N 3.31Å; Y89-F91 PolarHBondContact O-N 3.34Å; F91-Q93 VanDerWaalsContact C-N 3.31Å; F91-Q93 PolarHBondContact O-N 3.37Å; F91-L94 PolarHBondContact O-N 3.03Å; F91-Q95 HydrophobicContact CD1-CG 4.45Å; F91-Q95 HydrophobicContact CD2-CG 4.24Å; F91-Q95 HydrophobicContact CE1-CG 4.07Å; F91-Q95 HydrophobicContact CE2-CG 3.83Å; F91-Q95 HydrophobicContact CZ-CG 3.74Å; F91-Q95 VanDerWaalsContact O-CG 3.26Å; F91-Q95 WeakPolarHBondContact O-CG 3.28Å; F91-Q95 PolarHBondContact O-N 3.38Å; F91-S161 WeakPolarHBondContact CZ-O 3.3Å; F91-F162 HydrophobicContact CB-CD2 3.65Å; F91-F162 HydrophobicContact CB-CE2 4.1Å; F91-F162 HydrophobicContact CD1-CB 3.8Å; F91-F162 AromaticContact CD1-CD2 3.87Å; F91-F162 HydrophobicContact CD1-CD2 3.87Å; F91-F162 HydrophobicContact CD1-CG 4.35Å; F91-F162 HydrophobicContact CD2-CD2 4.29Å; F91-F162 HydrophobicContact CE1-CB 3.86Å; F91-F162 HydrophobicContact CG-CB 4.4Å; F91-F162 AromaticContact CG-CD2 3.67Å; F91-F162 HydrophobicContact CG-CD2 3.67Å; F91-A165 HydrophobicContact CD2-CB 4.16Å; F91-A165 HydrophobicContact CE2-CB 3.42Å; F91-A165 VanDerWaalsContact CE2-CB 3.42Å; F91-A165 HydrophobicContact CZ-CB 4.07Å; F91-I287 HydrophobicContact CD2-CG2 3.82Å; F91-I287 HydrophobicContact CE2-CG2 4.24Å |
| 92 | V | 78.3 | Confident | 73.9 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 179.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L88 Y89 Q95 G96 G97 I100 | L88-V92 WeakPolarHBondContact O-CG2 3.41Å; L88-V92 PolarHBondContact O-N 3.18Å; Y89-V92 PolarHBondContact O-N 2.95Å; V92-Q95 CarbonylContact O-C 3.54Å; V92-Q95 PolarHBondContact O-N 3.23Å; V92-G96 PolarHBondContact O-N 3.37Å; V92-G97 CarbonylContact C-O 3.54Å; V92-G97 WeakPolarHBondContact O-CA 3.44Å; V92-G97 PolarHBondContact O-N 2.87Å; V92-I100 HydrophobicContact CB-CD1 4.29Å; V92-I100 HydrophobicContact CB-CG1 4.16Å; V92-I100 HydrophobicContact CG1-CG1 4.18Å; V92-I100 HydrophobicContact CG2-CD1 3.87Å; V92-I100 HydrophobicContact CG2-CG1 3.85Å |
| 93 | Q | 73.5 | Confident | 74.2 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.8 | -170.2 | 179.2 | 13.3 | 0 | 0 | 112.2 | Y89 K90 F91 Q95 G96 G97 | Y89-Q93 WeakPolarHBondContact O-CB 3.46Å; Y89-Q93 PolarHBondContact O-N 2.68Å; K90-Q93 PolarHBondContact O-N 2.9Å; F91-Q93 VanDerWaalsContact C-N 3.31Å; F91-Q93 PolarHBondContact O-N 3.37Å; Q93-Q95 PolarHBondContact O-N 3.33Å; Q93-G96 PolarHBondContact O-N 3.5Å; Q93-G97 WeakPolarHBondContact CA-O 3.13Å |
| 94 | L | 71.8 | Confident | 74.5 | Confident | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.4 | -24.6 | 176.8 | -69.9 | 169.8 | 0 | 0 | 0 | 113 | K90 F91 G96 K282 I287 I290 | K90-L94 WeakPolarHBondContact O-CB 3.38Å; K90-L94 VanDerWaalsContact O-CG 3.23Å; K90-L94 WeakPolarHBondContact O-CG 3.24Å; K90-L94 PolarHBondContact O-N 3.31Å; F91-L94 PolarHBondContact O-N 3.03Å; L94-G96 VanDerWaalsContact C-N 3.29Å; L94-K282 HydrophobicContact CD2-CB 4.33Å; L94-K282 HydrophobicContact CD2-CD 4.05Å; L94-K282 HydrophobicContact CD2-CG 4.1Å; L94-I287 HydrophobicContact CB-CD1 4Å; L94-I287 HydrophobicContact CB-CG1 4.09Å; L94-I287 HydrophobicContact CD1-CG1 4.15Å; L94-I287 HydrophobicContact CD1-CG2 4.39Å; L94-I290 HydrophobicContact CD1-CB 4.48Å; L94-I290 HydrophobicContact CD1-CD1 4.46Å; L94-I290 HydrophobicContact CD1-CG2 4.12Å |
| 95 | Q | 71.5 | Confident | 74.7 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 1.4 | 172 | -64.7 | -68.4 | -32.5 | 0 | 0 | 113 | F91 V92 Q93 I287 | F91-Q95 HydrophobicContact CD1-CG 4.45Å; F91-Q95 HydrophobicContact CD2-CG 4.24Å; F91-Q95 HydrophobicContact CE1-CG 4.07Å; F91-Q95 HydrophobicContact CE2-CG 3.83Å; F91-Q95 HydrophobicContact CZ-CG 3.74Å; F91-Q95 VanDerWaalsContact O-CG 3.26Å; F91-Q95 WeakPolarHBondContact O-CG 3.28Å; F91-Q95 PolarHBondContact O-N 3.38Å; V92-Q95 CarbonylContact O-C 3.54Å; V92-Q95 PolarHBondContact O-N 3.23Å; Q93-Q95 PolarHBondContact O-N 3.33Å; Q95-I287 VanDerWaalsContact NE2-CD1 3.3Å |
| 96 | G | 66.8 | Low | 74.5 | Confident | 39 Ų | 39 | 65 Ų | 65 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 17.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V92 Q93 L94 | V92-G96 PolarHBondContact O-N 3.37Å; Q93-G96 PolarHBondContact O-N 3.5Å; L94-G96 VanDerWaalsContact C-N 3.29Å |
| 97 | G | 69.1 | Low | 74.4 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 29% | 0.289 | 36% | 0.357 | S | S | . | . | trans | -94.3 | 135.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V92 Q93 | V92-G97 CarbonylContact C-O 3.54Å; V92-G97 WeakPolarHBondContact O-CA 3.44Å; V92-G97 PolarHBondContact O-N 2.87Å; Q93-G97 WeakPolarHBondContact CA-O 3.13Å | ||
| 98 | D | 60 | Low | 74 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 66% | 0.663 | 38% | 0.38 | S | S | * | . | trans | -88.5 | -27.6 | -173.3 | -63.9 | -27.1 | 0 | 0 | 0 | 114.1 | Y89 | Y89-D98 PolarHBondContact OH-O 2.94Å; Y89-D98 VanDerWaalsContact OH-O 3.06Å | ||
| 99 | K | 66.6 | Low | 73.8 | Confident | 166 Ų | 166 | 80.3 Ų | 80.3 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | trans | -152.9 | 132.3 | -174.6 | -63.4 | -172.9 | -179.6 | -177.6 | 0 | 113.2 | ||||
| 100 | I | 71.6 | Confident | 74.2 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.205 | 39% | 0.393 | C | S | . | . | trans | -85.2 | 120 | 165.7 | -60.2 | 168.3 | 0 | 0 | 0 | 108 | L88 Y89 V92 L112 | L88-I100 HydrophobicContact CB-CD1 4.34Å; L88-I100 HydrophobicContact CD2-CD1 3.9Å; L88-I100 HydrophobicContact CG-CD1 3.65Å; Y89-I100 HydrophobicContact CD2-CD1 4.22Å; Y89-I100 HydrophobicContact CD2-CG1 4.47Å; V92-I100 HydrophobicContact CB-CD1 4.29Å; V92-I100 HydrophobicContact CB-CG1 4.16Å; V92-I100 HydrophobicContact CG1-CG1 4.18Å; V92-I100 HydrophobicContact CG2-CD1 3.87Å; V92-I100 HydrophobicContact CG2-CG1 3.85Å; I100-L112 HydrophobicContact CG2-CD1 4.07Å | ||
| 101 | R | 76.2 | Confident | 74.5 | Confident | 213 Ų | 213 | 73.3 Ų | 73.3 | 80% | 0.804 | 39% | 0.386 | S | S | * | . | trans | -100.2 | 110.5 | 170.7 | -70 | -170.7 | -172.3 | -145.9 | 3.7 | 109.4 | ||||
| 102 | V | 76.2 | Confident | 74.8 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 124.3 | 177.2 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | Y109 L110 L112 | V102-Y109 HydrophobicContact CB-CD1 4.46Å; V102-Y109 HydrophobicContact CG1-CD1 4.35Å; V102-L110 HydrophobicContact CG1-CB 4.43Å; V102-L110 WeakPolarHBondContact CG1-O 3.32Å; V102-L112 HydrophobicContact CG1-CG 4.49Å; V102-L112 HydrophobicContact CG2-CD1 4.08Å |
| 103 | P | 79.8 | Confident | 75.1 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 146 | 179.8 | 29.4 | -33.9 | 0 | 0 | 0 | 111.2 | L110 N154 L158 | P103-L110 HydrophobicContact CG-CB 4.05Å; P103-L110 HydrophobicContact CG-CD2 3.85Å; P103-L110 PolarHBondContact O-N 2.68Å; P103-N154 HydrophobicContact CG-CB 4.12Å; P103-N154 WeakPolarHBondContact CG-OD1 3.4Å; P103-L158 HydrophobicContact CG-CD1 4.28Å |
| 104 | S | 80.4 | Confident | 75.7 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.1 | 170.5 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | R108 | S104-R108 CarbonylContact C-O 3.56Å; S104-R108 WeakPolarHBondContact CA-O 3.09Å |
| 105 | I | 82.1 | Confident | 76.6 | Confident | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.046 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.1 | 175.5 | -57.8 | -178.9 | 0 | 0 | 0 | 107.3 | G107 R108 L110 Y143 H147 I151 | I105-G107 PolarHBondContact O-N 3Å; I105-R108 PolarHBondContact N-O 3.01Å; I105-R108 PolarHBondContact O-N 2.78Å; I105-R108 VanDerWaalsContact O-O 3.13Å; I105-L110 HydrophobicContact CD1-CD1 4.21Å; I105-L110 HydrophobicContact CD1-CD2 4.25Å; I105-Y143 HydrophobicContact CB-CD1 4.26Å; I105-Y143 HydrophobicContact CB-CE1 3.71Å; I105-Y143 HydrophobicContact CG2-CD1 3.75Å; I105-Y143 HydrophobicContact CG2-CE1 3.73Å; I105-Y143 WeakPolarHBondContact O-CE1 3.28Å; I105-H147 HydrophobicContact CG2-CB 4.11Å; I105-I151 HydrophobicContact CD1-CG1 3.75Å |
| 106 | S | 75.2 | Confident | 77.4 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 34.7 | -179.5 | -58 | 0 | 0 | 0 | 0 | 114 | R108 H147 | S106-R108 VanDerWaalsContact C-N 3.28Å; S106-R108 PolarHBondContact O-N 2.94Å; S106-H147 PolarHBondContact OG-CE1 3.47Å; S106-H147 PolarHBondContact OG-NE2 3.22Å; S106-H147 VanDerWaalsContact OG-NE2 3.16Å |
| 107 | G | 71.4 | Confident | 78.4 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I105 | I105-G107 PolarHBondContact O-N 3Š|
| 108 | R | 71.1 | Confident | 79.4 | Confident | 175 Ų | 175 | 72.3 Ų | 72.3 | 66% | 0.66 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 134.1 | 175.6 | -63.5 | -177.2 | 179.1 | -174.9 | -3.3 | 110 | S104 I105 S106 Y143 | S104-R108 CarbonylContact C-O 3.56Å; S104-R108 WeakPolarHBondContact CA-O 3.09Å; I105-R108 PolarHBondContact N-O 3.01Å; I105-R108 PolarHBondContact O-N 2.78Å; I105-R108 VanDerWaalsContact O-O 3.13Å; S106-R108 VanDerWaalsContact C-N 3.28Å; S106-R108 PolarHBondContact O-N 2.94Å; R108-Y143 HydrophobicContact CB-CE1 4.43Å |
| 109 | Y | 77.7 | Confident | 80.9 | Confident | 174 Ų | 174 | 66.4 Ų | 66.4 | 68% | 0.682 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 140.2 | 171.9 | -70.4 | -71.7 | 0 | 0 | 0 | 110.3 | V102 D111 Y143 | V102-Y109 HydrophobicContact CB-CD1 4.46Å; V102-Y109 HydrophobicContact CG1-CD1 4.35Å; Y109-D111 PolarHBondContact O-N 3Å; Y109-Y143 PolarHBondContact O-OH 3.22Å |
| 110 | L | 82.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | trans | -71.9 | 115.1 | 178.6 | -176.7 | 60.3 | 0 | 0 | 0 | 110.2 | V102 P103 I105 L112 L115 Y143 I151 N154 | V102-L110 HydrophobicContact CG1-CB 4.43Å; V102-L110 WeakPolarHBondContact CG1-O 3.32Å; P103-L110 HydrophobicContact CG-CB 4.05Å; P103-L110 HydrophobicContact CG-CD2 3.85Å; P103-L110 PolarHBondContact O-N 2.68Å; I105-L110 HydrophobicContact CD1-CD1 4.21Å; I105-L110 HydrophobicContact CD1-CD2 4.25Å; L110-L112 HydrophobicContact CD2-CD2 4.44Å; L110-L112 HydrophobicContact CG-CD2 4.45Å; L110-L112 PolarHBondContact O-N 3.2Å; L110-L115 HydrophobicContact CD1-CD2 4.31Å; L110-L115 HydrophobicContact CD2-CD2 3.78Å; L110-L115 HydrophobicContact CG-CD2 4.13Å; L110-Y143 HydrophobicContact CD1-CE2 4.11Å; L110-I151 HydrophobicContact CD1-CG1 4.45Å; L110-N154 HydrophobicContact CD2-CB 3.79Å | ||
| 111 | D | 82.4 | Confident | 82.5 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | trans | -68.1 | 100.3 | 173.8 | -174.6 | -26.9 | 0 | 0 | 0 | 109.5 | K81 Y109 Y113 A114 L115 | K81-D111 IonicContact NZ-OD2 3.7Å; K81-D111 PolarHBondContact NZ-OD2 3.22Å; Y109-D111 PolarHBondContact O-N 3Å; D111-Y113 VanDerWaalsContact C-N 3.32Å; D111-Y113 PolarHBondContact O-N 3.17Å; D111-Y113 PolarHBondContact OD1-N 3.47Å; D111-Y113 VanDerWaalsContact OD1-N 3.13Å; D111-A114 HydrophobicContact CB-CB 3.87Å; D111-A114 VanDerWaalsContact CG-CB 3.47Å; D111-A114 PolarHBondContact O-N 2.89Å; D111-A114 PolarHBondContact OD1-N 2.86Å; D111-L115 VanDerWaalsContact O-CB 3.29Å; D111-L115 WeakPolarHBondContact O-CB 3.13Å; D111-L115 PolarHBondContact O-N 3.21Å | ||
| 112 | L | 86.7 | Confident | 83 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -34.5 | -176.4 | -63.3 | -176.4 | 0 | 0 | 0 | 112.3 | F84 L88 I100 V102 L110 H116 L158 L159 | F84-L112 HydrophobicContact CE1-CB 4.31Å; L88-L112 HydrophobicContact CD2-CD1 3.93Å; I100-L112 HydrophobicContact CG2-CD1 4.07Å; V102-L112 HydrophobicContact CG1-CG 4.49Å; V102-L112 HydrophobicContact CG2-CD1 4.08Å; L110-L112 HydrophobicContact CD2-CD2 4.44Å; L110-L112 HydrophobicContact CG-CD2 4.45Å; L110-L112 PolarHBondContact O-N 3.2Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.11Å; L112-L158 HydrophobicContact CD2-CD1 3.95Å; L112-L159 HydrophobicContact CB-CD1 4.48Å; L112-L159 HydrophobicContact CB-CD2 4.43Å; L112-L159 HydrophobicContact CD2-CD1 4.49Å; L112-L159 WeakPolarHBondContact O-CD1 3.48Å |
| 113 | Y | 84.8 | Confident | 83.4 | Confident | 18 Ų | 18 | 54 Ų | 54 | 7% | 0.071 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.4 | -47.5 | 177.4 | 170 | -98.9 | 0 | 0 | 0 | 110.8 | I80 K81 F84 D111 L115 H116 K117 E476 | I80-Y113 HydrophobicContact CG2-CE1 4.17Å; I80-Y113 HydrophobicContact CG2-CE2 3.67Å; I80-Y113 VanDerWaalsContact CG2-CZ 3.42Å; I80-Y113 VanDerWaalsContact CG2-OH 3.27Å; I80-Y113 WeakPolarHBondContact CG2-OH 3.27Å; K81-Y113 HydrophobicContact CD-CD1 4.32Å; K81-Y113 HydrophobicContact CG-CD1 3.5Å; K81-Y113 VanDerWaalsContact CG-CD1 3.5Å; K81-Y113 HydrophobicContact CG-CE1 4.12Å; K81-Y113 HydrophobicContact CG-CG 3.91Å; F84-Y113 HydrophobicContact CB-CD2 3.61Å; F84-Y113 HydrophobicContact CB-CE2 4.35Å; F84-Y113 HydrophobicContact CB-CG 4.41Å; F84-Y113 HydrophobicContact CD1-CD2 4.04Å; F84-Y113 HydrophobicContact CD1-CG 4.37Å; F84-Y113 HydrophobicContact CD2-CD2 4.03Å; F84-Y113 AromaticContact CG-CD2 3.63Å; F84-Y113 HydrophobicContact CG-CD2 3.63Å; F84-Y113 HydrophobicContact CG-CG 4.38Å; D111-Y113 VanDerWaalsContact C-N 3.32Å; D111-Y113 PolarHBondContact O-N 3.17Å; D111-Y113 PolarHBondContact OD1-N 3.47Å; D111-Y113 VanDerWaalsContact OD1-N 3.13Å; Y113-L115 VanDerWaalsContact C-N 3.26Å; Y113-L115 PolarHBondContact O-N 2.89Å; Y113-H116 PolarHBondContact O-N 3.38Å; Y113-K117 HydrophobicContact CE1-CD 4.21Å; Y113-K117 WeakPolarHBondContact O-CB 3.33Å; Y113-K117 PolarHBondContact O-N 3.26Å; Y113-E476 PolarHBondContact OH-OE1 2.87Å |
| 114 | A | 85.2 | Confident | 83.7 | Confident | 24 Ų | 24 | 53.6 Ų | 53.6 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D111 K117 R118 L141 | D111-A114 HydrophobicContact CB-CB 3.87Å; D111-A114 VanDerWaalsContact CG-CB 3.47Å; D111-A114 PolarHBondContact O-N 2.89Å; D111-A114 PolarHBondContact OD1-N 2.86Å; A114-K117 PolarHBondContact O-N 3.44Å; A114-R118 WeakPolarHBondContact O-CB 3.48Å; A114-R118 VanDerWaalsContact O-CG 3.27Å; A114-R118 WeakPolarHBondContact O-CG 3.41Å; A114-R118 PolarHBondContact O-N 3.14Å; A114-L141 HydrophobicContact CB-CD2 3.63Å |
| 115 | L | 90.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 175.9 | 174.1 | 60.2 | 0 | 0 | 0 | 112.3 | L110 D111 Y113 K117 R118 V119 W134 I137 L141 I151 Y155 L159 | L110-L115 HydrophobicContact CD1-CD2 4.31Å; L110-L115 HydrophobicContact CD2-CD2 3.78Å; L110-L115 HydrophobicContact CG-CD2 4.13Å; D111-L115 VanDerWaalsContact O-CB 3.29Å; D111-L115 WeakPolarHBondContact O-CB 3.13Å; D111-L115 PolarHBondContact O-N 3.21Å; Y113-L115 VanDerWaalsContact C-N 3.26Å; Y113-L115 PolarHBondContact O-N 2.89Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.45Å; L115-R118 PolarHBondContact O-N 3.18Å; L115-V119 HydrophobicContact CD1-CG2 4.08Å; L115-V119 WeakPolarHBondContact O-CG2 3.41Å; L115-V119 PolarHBondContact O-N 3.44Å; L115-W134 HydrophobicContact CD1-CZ3 4.26Å; L115-I137 HydrophobicContact CD1-CG2 4.21Å; L115-L141 HydrophobicContact CB-CD1 4.18Å; L115-L141 HydrophobicContact CD1-CD1 3.68Å; L115-I151 HydrophobicContact CD1-CG2 3.43Å; L115-I151 VanDerWaalsContact CD1-CG2 3.43Å; L115-I151 HydrophobicContact CD2-CG2 4.24Å; L115-I151 HydrophobicContact CG-CG2 4.49Å; L115-Y155 HydrophobicContact CD1-CD2 3.82Å; L115-Y155 HydrophobicContact CD1-CE2 4.37Å; L115-Y155 HydrophobicContact CD2-CD2 3.84Å; L115-Y155 HydrophobicContact CG-CD2 3.54Å; L115-Y155 HydrophobicContact CG-CE2 4Å; L115-L159 HydrophobicContact CB-CD1 4.48Å; L115-L159 HydrophobicContact CD2-CD1 4.07Å; L115-L159 HydrophobicContact CG-CD1 4.13Å |
| 116 | H | 89.6 | Confident | 84.3 | Confident | 42 Ų | 42 | 60 Ų | 60 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.7 | -49.6 | 174.4 | 172.4 | 72 | 0 | 0 | 0 | 111.2 | F84 L112 Y113 R118 V119 A120 L159 D163 | F84-H116 AromaticContact CD2-CD2 4Å; F84-H116 HydrophobicContact CE1-CB 4.35Å; F84-H116 HydrophobicContact CE2-CB 3.88Å; F84-H116 AromaticContact CE2-CD2 3.3Å; F84-H116 WeakPolarHBondContact CE2-CD2 3.48Å; F84-H116 AromaticContact CE2-CG 3.47Å; F84-H116 VanDerWaalsContact CE2-CG 3.47Å; F84-H116 AromaticContact CE2-NE2 3.79Å; F84-H116 HydrophobicContact CZ-CB 3.54Å; F84-H116 AromaticContact CZ-CD2 3.93Å; F84-H116 AromaticContact CZ-CG 3.64Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.11Å; Y113-H116 PolarHBondContact O-N 3.38Å; H116-R118 PolarHBondContact O-N 3.29Å; H116-V119 PolarHBondContact O-N 2.77Å; H116-A120 WeakPolarHBondContact O-CB 3.22Å; H116-A120 PolarHBondContact O-N 3.12Å; H116-L159 HydrophobicContact CB-CD1 4.13Å; H116-D163 IonicContact CE1-OD1 3.8Å; H116-D163 PolarHBondContact CE1-OD1 3.07Å; H116-D163 IonicContact ND1-OD1 3.76Å; H116-D163 PolarHBondContact ND1-OD1 3.47Å; H116-D163 IonicContact ND1-OD2 3.77Å |
| 117 | K | 86.6 | Confident | 84.9 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 179.5 | -173.5 | 173.2 | -175.1 | 164.1 | 0 | 112.7 | Y113 A114 L115 V119 A120 E121 | Y113-K117 HydrophobicContact CE1-CD 4.21Å; Y113-K117 WeakPolarHBondContact O-CB 3.33Å; Y113-K117 PolarHBondContact O-N 3.26Å; A114-K117 PolarHBondContact O-N 3.44Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.45Å; K117-V119 VanDerWaalsContact C-N 3.31Å; K117-V119 PolarHBondContact O-N 2.88Å; K117-A120 PolarHBondContact O-N 3.32Å; K117-E121 WeakPolarHBondContact O-CB 3.02Å; K117-E121 VanDerWaalsContact O-CG 3.32Å; K117-E121 WeakPolarHBondContact O-CG 3.36Å; K117-E121 PolarHBondContact O-N 3.19Å |
| 118 | R | 90.3 | Very high | 85.8 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 179.3 | -68.4 | -46.7 | -171.9 | 176.3 | 0.4 | 112.9 | A114 L115 H116 E121 A122 I137 K140 L141 | A114-R118 WeakPolarHBondContact O-CB 3.48Å; A114-R118 VanDerWaalsContact O-CG 3.27Å; A114-R118 WeakPolarHBondContact O-CG 3.41Å; A114-R118 PolarHBondContact O-N 3.14Å; L115-R118 PolarHBondContact O-N 3.18Å; H116-R118 PolarHBondContact O-N 3.29Å; R118-E121 VanDerWaalsContact CD-OE2 3.27Å; R118-E121 WeakPolarHBondContact CD-OE2 3.44Å; R118-E121 IonicContact CZ-OE2 2.84Å; R118-E121 IonicContact NE-OE2 3.47Å; R118-E121 IonicContact NH1-OE1 3.35Å; R118-E121 IonicContact NH1-OE2 2.76Å; R118-E121 PolarHBondContact NH1-OE2 3.29Å; R118-A122 WeakPolarHBondContact O-CB 3.27Å; R118-A122 PolarHBondContact O-N 3.05Å; R118-I137 HydrophobicContact CB-CG2 4.05Å; R118-K140 HydrophobicContact CG-CB 4.47Å; R118-L141 HydrophobicContact CG-CD2 3.9Å; R118-L141 HydrophobicContact CG-CG 4.21Å |
| 119 | V | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -75.5 | -39.2 | 175.9 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L115 H116 K117 A122 G123 G124 A128 W134 I137 Y155 | L115-V119 HydrophobicContact CD1-CG2 4.08Å; L115-V119 WeakPolarHBondContact O-CG2 3.41Å; L115-V119 PolarHBondContact O-N 3.44Å; H116-V119 PolarHBondContact O-N 2.77Å; K117-V119 VanDerWaalsContact C-N 3.31Å; K117-V119 PolarHBondContact O-N 2.88Å; V119-A122 CarbonylContact O-C 3.56Å; V119-A122 WeakPolarHBondContact O-CA 3.36Å; V119-A122 WeakPolarHBondContact O-CB 3.28Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-A122 VanDerWaalsContact O-N 3.11Å; V119-G123 PolarHBondContact O-N 3.49Å; V119-G124 WeakPolarHBondContact O-CA 3.35Å; V119-G124 PolarHBondContact O-N 3.29Å; V119-A128 HydrophobicContact CG1-CB 4.46Å; V119-W134 HydrophobicContact CG2-CH2 3.69Å; V119-W134 HydrophobicContact CG2-CZ3 3.81Å; V119-I137 HydrophobicContact CG2-CD1 4.06Å; V119-I137 HydrophobicContact CG2-CG2 4.4Å; V119-Y155 HydrophobicContact CB-CD2 4.23Å; V119-Y155 HydrophobicContact CB-CE2 3.43Å; V119-Y155 VanDerWaalsContact CB-CE2 3.43Å; V119-Y155 WeakPolarHBondContact CB-OH 3.35Å; V119-Y155 HydrophobicContact CG1-CD2 4.48Å; V119-Y155 HydrophobicContact CG1-CE1 4.08Å; V119-Y155 HydrophobicContact CG1-CE2 3.76Å; V119-Y155 VanDerWaalsContact CG1-CZ 3.5Å; V119-Y155 WeakPolarHBondContact CG1-OH 3.47Å; V119-Y155 HydrophobicContact CG2-CD2 3.67Å; V119-Y155 HydrophobicContact CG2-CE2 3.36Å |
| 120 | A | 86.5 | Confident | 87.1 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H116 K117 A122 G123 | H116-A120 WeakPolarHBondContact O-CB 3.22Å; H116-A120 PolarHBondContact O-N 3.12Å; K117-A120 PolarHBondContact O-N 3.32Å; A120-A122 PolarHBondContact O-N 3.29Å; A120-G123 PolarHBondContact O-N 2.78Å |
| 121 | E | 85.8 | Confident | 87.5 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -30.4 | 172.3 | -76.2 | 172.2 | -171.6 | 0 | 0 | 112.6 | K117 R118 G123 | K117-E121 WeakPolarHBondContact O-CB 3.02Å; K117-E121 VanDerWaalsContact O-CG 3.32Å; K117-E121 WeakPolarHBondContact O-CG 3.36Å; K117-E121 PolarHBondContact O-N 3.19Å; R118-E121 VanDerWaalsContact CD-OE2 3.27Å; R118-E121 WeakPolarHBondContact CD-OE2 3.44Å; R118-E121 IonicContact CZ-OE2 2.84Å; R118-E121 IonicContact NE-OE2 3.47Å; R118-E121 IonicContact NH1-OE1 3.35Å; R118-E121 IonicContact NH1-OE2 2.76Å; R118-E121 PolarHBondContact NH1-OE2 3.29Å; E121-G123 VanDerWaalsContact C-N 3.26Å; E121-G123 PolarHBondContact O-N 2.97Å |
| 122 | A | 87 | Confident | 87.8 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 3.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R118 V119 A120 Q127 A128 L133 I137 | R118-A122 WeakPolarHBondContact O-CB 3.27Å; R118-A122 PolarHBondContact O-N 3.05Å; V119-A122 CarbonylContact O-C 3.56Å; V119-A122 WeakPolarHBondContact O-CA 3.36Å; V119-A122 WeakPolarHBondContact O-CB 3.28Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-A122 VanDerWaalsContact O-N 3.11Å; A120-A122 PolarHBondContact O-N 3.29Å; A122-Q127 WeakPolarHBondContact O-CG 3.48Å; A122-A128 HydrophobicContact CB-CB 4.29Å; A122-L133 HydrophobicContact CB-CD1 3.92Å; A122-I137 HydrophobicContact CB-CD1 4.18Å |
| 123 | G | 83.9 | Confident | 88.1 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 15.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V119 A120 E121 Q127 | V119-G123 PolarHBondContact O-N 3.49Å; A120-G123 PolarHBondContact O-N 2.78Å; E121-G123 VanDerWaalsContact C-N 3.26Å; E121-G123 PolarHBondContact O-N 2.97Å; G123-Q127 VanDerWaalsContact CA-OE1 3.29Å; G123-Q127 PolarHBondContact O-OE1 3.13Å |
| 124 | G | 86 | Confident | 88.4 | Confident | 20 Ų | 20 | 60.1 Ų | 60.1 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 92.4 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V119 R126 Q127 A128 | V119-G124 WeakPolarHBondContact O-CA 3.35Å; V119-G124 PolarHBondContact O-N 3.29Å; G124-R126 PolarHBondContact O-N 2.89Å; G124-Q127 PolarHBondContact O-N 2.99Å; G124-A128 WeakPolarHBondContact O-CB 3.4Å; G124-A128 PolarHBondContact O-N 2.96Å |
| 125 | Y | 88.9 | Confident | 88.7 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 12% | 0.122 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.2 | -44.5 | -170.6 | -179.8 | -98.2 | 0 | 0 | 0 | 114 | C129 W134 K152 Y155 E156 L160 | Y125-C129 VanDerWaalsContact CZ-SG 3.5Å; Y125-C129 PolarHBondContact O-N 2.79Å; Y125-C129 VanDerWaalsContact O-N 3.16Å; Y125-C129 PolarHBondContact O-SG 3.36Å; Y125-C129 PolarHBondContact OH-SG 3.22Å; Y125-C129 VanDerWaalsContact OH-SG 3.41Å; Y125-W134 AromaticContact CD2-CH2 3.99Å; Y125-W134 HydrophobicContact CD2-CH2 3.99Å; Y125-W134 AromaticContact CD2-CZ2 3.6Å; Y125-W134 HydrophobicContact CD2-CZ2 3.6Å; Y125-W134 HydrophobicContact CE2-CH2 4Å; Y125-W134 AromaticContact CE2-CZ2 3.43Å; Y125-W134 HydrophobicContact CE2-CZ2 3.43Å; Y125-W134 VanDerWaalsContact CE2-CZ2 3.43Å; Y125-K152 HydrophobicContact CE2-CG 4.28Å; Y125-K152 WeakPolarHBondContact OH-CE 3.32Å; Y125-Y155 AromaticContact CD2-CD1 3.48Å; Y125-Y155 HydrophobicContact CD2-CD1 3.48Å; Y125-Y155 VanDerWaalsContact CD2-CD1 3.48Å; Y125-Y155 HydrophobicContact CD2-CE1 4.01Å; Y125-Y155 HydrophobicContact CD2-CG 4.19Å; Y125-Y155 HydrophobicContact CE2-CD1 4.23Å; Y125-Y155 HydrophobicContact CG-CD1 4.3Å; Y125-Y155 HydrophobicContact CG-CE1 4.46Å; Y125-E156 HydrophobicContact CE1-CG 4.12Å; Y125-E156 HydrophobicContact CE2-CG 3.48Å; Y125-E156 VanDerWaalsContact CE2-CG 3.48Å; Y125-E156 WeakPolarHBondContact OH-CG 3.23Å; Y125-E156 PolarHBondContact OH-OE1 3.22Å; Y125-L160 HydrophobicContact CD1-CD1 3.8Å; Y125-L160 HydrophobicContact CD1-CD2 4.2Å; Y125-L160 HydrophobicContact CD2-CD1 4.49Å; Y125-L160 HydrophobicContact CE1-CD2 4.33Å; Y125-L160 HydrophobicContact CG-CD1 3.72Å |
| 126 | R | 87.5 | Confident | 88.8 | Confident | 178 Ų | 178 | 64 Ų | 64 | 67% | 0.672 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.6 | -50.2 | -179.6 | -71.3 | -174.9 | -178.2 | 162.2 | 1.9 | 111.3 | G124 A128 C129 D130 | G124-R126 PolarHBondContact O-N 2.89Å; R126-A128 VanDerWaalsContact C-N 3.32Å; R126-A128 PolarHBondContact O-N 3.28Å; R126-C129 WeakPolarHBondContact O-CA 3.16Å; R126-C129 WeakPolarHBondContact O-CB 3.31Å; R126-C129 PolarHBondContact O-N 3.47Å; R126-D130 PolarHBondContact O-N 3.06Å |
| 127 | Q | 87.1 | Confident | 88.9 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | -178.9 | -168.7 | 165.1 | 0.3 | 0 | 0 | 112.5 | A122 G123 G124 C129 D130 N131 | A122-Q127 WeakPolarHBondContact O-CG 3.48Å; G123-Q127 VanDerWaalsContact CA-OE1 3.29Å; G123-Q127 PolarHBondContact O-OE1 3.13Å; G124-Q127 PolarHBondContact O-N 2.99Å; Q127-C129 VanDerWaalsContact C-N 3.3Å; Q127-C129 PolarHBondContact O-N 3.47Å; Q127-D130 PolarHBondContact O-N 3.23Å; Q127-N131 WeakPolarHBondContact CG-ND2 2.93Å; Q127-N131 VanDerWaalsContact O-CB 3.3Å; Q127-N131 WeakPolarHBondContact O-CB 3.15Å; Q127-N131 PolarHBondContact O-N 3.16Å; Q127-N131 PolarHBondContact O-ND2 2.73Å |
| 128 | A | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V119 A122 G124 R126 Q132 L133 W134 I137 | V119-A128 HydrophobicContact CG1-CB 4.46Å; A122-A128 HydrophobicContact CB-CB 4.29Å; G124-A128 WeakPolarHBondContact O-CB 3.4Å; G124-A128 PolarHBondContact O-N 2.96Å; R126-A128 VanDerWaalsContact C-N 3.32Å; R126-A128 PolarHBondContact O-N 3.28Å; A128-Q132 PolarHBondContact O-N 3.49Å; A128-L133 PolarHBondContact O-N 3.37Å; A128-W134 HydrophobicContact CB-CZ2 4.21Å; A128-I137 HydrophobicContact CB-CD1 3.88Å |
| 129 | C | 89.6 | Confident | 89.1 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.5 | -48.4 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | Y125 R126 Q127 N131 Q132 W134 K152 | Y125-C129 VanDerWaalsContact CZ-SG 3.5Å; Y125-C129 PolarHBondContact O-N 2.79Å; Y125-C129 VanDerWaalsContact O-N 3.16Å; Y125-C129 PolarHBondContact O-SG 3.36Å; Y125-C129 PolarHBondContact OH-SG 3.22Å; Y125-C129 VanDerWaalsContact OH-SG 3.41Å; R126-C129 WeakPolarHBondContact O-CA 3.16Å; R126-C129 WeakPolarHBondContact O-CB 3.31Å; R126-C129 PolarHBondContact O-N 3.47Å; Q127-C129 VanDerWaalsContact C-N 3.3Å; Q127-C129 PolarHBondContact O-N 3.47Å; C129-N131 VanDerWaalsContact C-N 3.33Å; C129-N131 PolarHBondContact O-N 3.4Å; C129-Q132 PolarHBondContact O-N 3.4Å; C129-Q132 VanDerWaalsContact O-N 3.17Å; C129-W134 PolarHBondContact SG-NE1 3.5Å; C129-K152 VanDerWaalsContact SG-CE 3.57Å |
| 130 | D | 88.2 | Confident | 88.9 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 68% | 0.684 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | -176 | -63.6 | -20.7 | 0 | 0 | 0 | 111.3 | R126 Q127 Q132 | R126-D130 PolarHBondContact O-N 3.06Å; Q127-D130 PolarHBondContact O-N 3.23Å; D130-Q132 VanDerWaalsContact C-N 3.33Å; D130-Q132 PolarHBondContact O-N 3.3Å |
| 131 | N | 89.4 | Confident | 88.8 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.9 | 179.4 | -65.2 | -25.7 | 0 | 0 | 0 | 113.8 | Q127 C129 L133 | Q127-N131 WeakPolarHBondContact CG-ND2 2.93Å; Q127-N131 VanDerWaalsContact O-CB 3.3Å; Q127-N131 WeakPolarHBondContact O-CB 3.15Å; Q127-N131 PolarHBondContact O-N 3.16Å; Q127-N131 PolarHBondContact O-ND2 2.73Å; C129-N131 VanDerWaalsContact C-N 3.33Å; C129-N131 PolarHBondContact O-N 3.4Å; N131-L133 VanDerWaalsContact C-N 3.25Å; N131-L133 HydrophobicContact CB-CD1 3.75Å; N131-L133 HydrophobicContact CB-CD2 4.2Å; N131-L133 HydrophobicContact CB-CG 3.61Å; N131-L133 PolarHBondContact O-N 2.7Å |
| 132 | Q | 89.3 | Confident | 88.8 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.5 | -178.3 | -58.2 | -169.9 | -9.6 | 0 | 0 | 114.6 | A128 C129 D130 W134 | A128-Q132 PolarHBondContact O-N 3.49Å; C129-Q132 PolarHBondContact O-N 3.4Å; C129-Q132 VanDerWaalsContact O-N 3.17Å; D130-Q132 VanDerWaalsContact C-N 3.33Å; D130-Q132 PolarHBondContact O-N 3.3Å; Q132-W134 VanDerWaalsContact C-N 3.3Å; Q132-W134 PolarHBondContact O-N 3.02Å |
| 133 | L | 92 | Very high | 88.8 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.3 | -171.7 | -62.3 | 173.9 | 0 | 0 | 0 | 114.3 | A122 A128 N131 S135 V136 I137 | A122-L133 HydrophobicContact CB-CD1 3.92Å; A128-L133 PolarHBondContact O-N 3.37Å; N131-L133 VanDerWaalsContact C-N 3.25Å; N131-L133 HydrophobicContact CB-CD1 3.75Å; N131-L133 HydrophobicContact CB-CD2 4.2Å; N131-L133 HydrophobicContact CB-CG 3.61Å; N131-L133 PolarHBondContact O-N 2.7Å; L133-S135 VanDerWaalsContact C-N 3.3Å; L133-S135 PolarHBondContact O-N 3.46Å; L133-V136 WeakPolarHBondContact O-CB 3.14Å; L133-V136 PolarHBondContact O-N 3.17Å; L133-V136 VanDerWaalsContact O-N 3.11Å; L133-I137 HydrophobicContact CB-CD1 4.16Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 3.25Å |
| 134 | W | 92.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 65 Ų | 65 | 6% | 0.064 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -29.3 | -174.4 | -71.5 | 101.5 | 0 | 0 | 0 | 114.5 | L115 V119 Y125 A128 C129 Q132 I137 A138 A148 I151 K152 Y155 | L115-W134 HydrophobicContact CD1-CZ3 4.26Å; V119-W134 HydrophobicContact CG2-CH2 3.69Å; V119-W134 HydrophobicContact CG2-CZ3 3.81Å; Y125-W134 AromaticContact CD2-CH2 3.99Å; Y125-W134 HydrophobicContact CD2-CH2 3.99Å; Y125-W134 AromaticContact CD2-CZ2 3.6Å; Y125-W134 HydrophobicContact CD2-CZ2 3.6Å; Y125-W134 HydrophobicContact CE2-CH2 4Å; Y125-W134 AromaticContact CE2-CZ2 3.43Å; Y125-W134 HydrophobicContact CE2-CZ2 3.43Å; Y125-W134 VanDerWaalsContact CE2-CZ2 3.43Å; A128-W134 HydrophobicContact CB-CZ2 4.21Å; C129-W134 PolarHBondContact SG-NE1 3.5Å; Q132-W134 VanDerWaalsContact C-N 3.3Å; Q132-W134 PolarHBondContact O-N 3.02Å; W134-I137 HydrophobicContact CD2-CD1 4.42Å; W134-I137 HydrophobicContact CE3-CD1 4.23Å; W134-I137 HydrophobicContact CE3-CG2 4.47Å; W134-A138 WeakPolarHBondContact O-CB 3.22Å; W134-A138 PolarHBondContact O-N 3.45Å; W134-A148 HydrophobicContact CB-CB 4.03Å; W134-A148 WeakPolarHBondContact O-CB 3.4Å; W134-I151 HydrophobicContact CE3-CG2 4.19Å; W134-I151 HydrophobicContact CZ3-CG2 4.1Å; W134-K152 HydrophobicContact CD2-CB 3.62Å; W134-K152 HydrophobicContact CD2-CD 4.48Å; W134-K152 HydrophobicContact CD2-CG 3.98Å; W134-K152 HydrophobicContact CE3-CB 3.84Å; W134-K152 HydrophobicContact CG-CB 4.06Å; W134-K152 HydrophobicContact CG-CD 4.41Å; W134-K152 HydrophobicContact CG-CG 4.4Å; W134-K152 HydrophobicContact CH2-CB 4.37Å; W134-K152 HydrophobicContact CH2-CG 4.43Å; W134-K152 HydrophobicContact CZ2-CB 4.18Å; W134-K152 HydrophobicContact CZ2-CG 3.87Å; W134-K152 HydrophobicContact CZ3-CB 4.21Å; W134-Y155 HydrophobicContact CH2-CD1 4.46Å; W134-Y155 HydrophobicContact CH2-CD2 4.02Å; W134-Y155 AromaticContact CH2-CG 3.82Å; W134-Y155 HydrophobicContact CH2-CG 3.82Å; W134-Y155 HydrophobicContact CZ3-CD2 4.41Å; W134-Y155 HydrophobicContact CZ3-CG 4.5Å |
| 135 | S | 91.1 | Very high | 88.9 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 171.5 | 47.5 | 0 | 0 | 0 | 0 | 111.4 | L133 I137 A138 E139 | L133-S135 VanDerWaalsContact C-N 3.3Å; L133-S135 PolarHBondContact O-N 3.46Å; S135-I137 VanDerWaalsContact C-N 3.35Å; S135-A138 WeakPolarHBondContact O-CB 3.49Å; S135-A138 PolarHBondContact O-N 3.1Å; S135-E139 WeakPolarHBondContact O-CG 3.37Å; S135-E139 PolarHBondContact O-N 3.05Å |
| 136 | V | 91.5 | Very high | 88.9 | Confident | 59 Ų | 59 | 74 Ų | 74 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | L133 E139 K140 | L133-V136 WeakPolarHBondContact O-CB 3.14Å; L133-V136 PolarHBondContact O-N 3.17Å; L133-V136 VanDerWaalsContact O-N 3.11Å; V136-E139 PolarHBondContact O-N 3.09Å; V136-K140 HydrophobicContact CG1-CD 4.29Å; V136-K140 HydrophobicContact CG1-CG 4.48Å; V136-K140 WeakPolarHBondContact O-CB 3.31Å; V136-K140 VanDerWaalsContact O-CG 3.3Å; V136-K140 WeakPolarHBondContact O-CG 3.28Å; V136-K140 PolarHBondContact O-N 3.48Å |
| 137 | I | 91.9 | Very high | 89 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175.4 | -68 | 160.4 | 0 | 0 | 0 | 110.2 | L115 R118 V119 A122 A128 L133 W134 S135 K140 L141 | L115-I137 HydrophobicContact CD1-CG2 4.21Å; R118-I137 HydrophobicContact CB-CG2 4.05Å; V119-I137 HydrophobicContact CG2-CD1 4.06Å; V119-I137 HydrophobicContact CG2-CG2 4.4Å; A122-I137 HydrophobicContact CB-CD1 4.18Å; A128-I137 HydrophobicContact CB-CD1 3.88Å; L133-I137 HydrophobicContact CB-CD1 4.16Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 3.25Å; W134-I137 HydrophobicContact CD2-CD1 4.42Å; W134-I137 HydrophobicContact CE3-CD1 4.23Å; W134-I137 HydrophobicContact CE3-CG2 4.47Å; S135-I137 VanDerWaalsContact C-N 3.35Å; I137-K140 PolarHBondContact O-N 3.23Å; I137-L141 HydrophobicContact CG2-CD1 3.85Å; I137-L141 HydrophobicContact CG2-CG 4.47Å; I137-L141 WeakPolarHBondContact O-CB 3.26Å; I137-L141 VanDerWaalsContact O-CG 3.26Å; I137-L141 WeakPolarHBondContact O-CG 3.18Å; I137-L141 PolarHBondContact O-N 3.44Å |
| 138 | A | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W134 S135 K140 L141 G142 Y143 A148 I151 | W134-A138 WeakPolarHBondContact O-CB 3.22Å; W134-A138 PolarHBondContact O-N 3.45Å; S135-A138 WeakPolarHBondContact O-CB 3.49Å; S135-A138 PolarHBondContact O-N 3.1Å; A138-K140 PolarHBondContact O-N 3.34Å; A138-L141 CarbonylContact O-C 3.25Å; A138-L141 PolarHBondContact O-N 2.9Å; A138-L141 VanDerWaalsContact O-N 3.14Å; A138-G142 PolarHBondContact O-N 2.93Å; A138-Y143 CarbonylContact C-O 3.54Å; A138-Y143 VanDerWaalsContact C-O 3.25Å; A138-Y143 WeakPolarHBondContact O-CA 3.32Å; A138-Y143 PolarHBondContact O-N 3.49Å; A138-Y143 VanDerWaalsContact O-O 3.07Å; A138-A148 HydrophobicContact CB-CB 4.31Å; A138-I151 HydrophobicContact CB-CD1 3.63Å |
| 139 | E | 89.9 | Confident | 89.2 | Confident | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.2 | -72.8 | 168.8 | -162.4 | 0 | 0 | 111.7 | S135 V136 L141 G142 Y143 S145 | S135-E139 WeakPolarHBondContact O-CG 3.37Å; S135-E139 PolarHBondContact O-N 3.05Å; V136-E139 PolarHBondContact O-N 3.09Å; E139-L141 PolarHBondContact O-N 2.61Å; E139-G142 PolarHBondContact O-N 2.87Å; E139-Y143 WeakPolarHBondContact CA-O 3.46Å; E139-Y143 PolarHBondContact N-O 2.89Å; E139-S145 WeakPolarHBondContact OE1-CB 3.46Å; E139-S145 PolarHBondContact OE1-OG 3.45Å |
| 140 | K | 88.3 | Confident | 89.2 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.6 | -23.8 | 175.3 | -76.9 | -178.1 | 176.9 | -174.1 | 0 | 114 | R118 V136 I137 A138 G142 | R118-K140 HydrophobicContact CG-CB 4.47Å; V136-K140 HydrophobicContact CG1-CD 4.29Å; V136-K140 HydrophobicContact CG1-CG 4.48Å; V136-K140 WeakPolarHBondContact O-CB 3.31Å; V136-K140 VanDerWaalsContact O-CG 3.3Å; V136-K140 WeakPolarHBondContact O-CG 3.28Å; V136-K140 PolarHBondContact O-N 3.48Å; I137-K140 PolarHBondContact O-N 3.23Å; A138-K140 PolarHBondContact O-N 3.34Å; K140-G142 VanDerWaalsContact C-N 3.32Å |
| 141 | L | 85.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 64.7 Ų | 64.7 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.3 | 173.8 | -69.4 | 169.6 | 0 | 0 | 0 | 112.7 | A114 L115 R118 I137 A138 E139 Y143 I151 | A114-L141 HydrophobicContact CB-CD2 3.63Å; L115-L141 HydrophobicContact CB-CD1 4.18Å; L115-L141 HydrophobicContact CD1-CD1 3.68Å; R118-L141 HydrophobicContact CG-CD2 3.9Å; R118-L141 HydrophobicContact CG-CG 4.21Å; I137-L141 HydrophobicContact CG2-CD1 3.85Å; I137-L141 HydrophobicContact CG2-CG 4.47Å; I137-L141 WeakPolarHBondContact O-CB 3.26Å; I137-L141 VanDerWaalsContact O-CG 3.26Å; I137-L141 WeakPolarHBondContact O-CG 3.18Å; I137-L141 PolarHBondContact O-N 3.44Å; A138-L141 CarbonylContact O-C 3.25Å; A138-L141 PolarHBondContact O-N 2.9Å; A138-L141 VanDerWaalsContact O-N 3.14Å; E139-L141 PolarHBondContact O-N 2.61Å; L141-Y143 HydrophobicContact CB-CD2 3.78Å; L141-Y143 HydrophobicContact CB-CE2 4.21Å; L141-I151 HydrophobicContact CD1-CD1 4.5Å; L141-I151 HydrophobicContact CD1-CG2 4.21Å |
| 142 | G | 84 | Confident | 89.5 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 15.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | A138 E139 K140 | A138-G142 PolarHBondContact O-N 2.93Å; E139-G142 PolarHBondContact O-N 2.87Å; K140-G142 VanDerWaalsContact C-N 3.32Å |
| 143 | Y | 87.3 | Confident | 89.6 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | trans | -102.1 | 147.6 | 175.1 | -65.7 | -80.6 | 0 | 0 | 0 | 111.3 | I105 R108 Y109 L110 A138 E139 L141 I151 | I105-Y143 HydrophobicContact CB-CD1 4.26Å; I105-Y143 HydrophobicContact CB-CE1 3.71Å; I105-Y143 HydrophobicContact CG2-CD1 3.75Å; I105-Y143 HydrophobicContact CG2-CE1 3.73Å; I105-Y143 WeakPolarHBondContact O-CE1 3.28Å; R108-Y143 HydrophobicContact CB-CE1 4.43Å; Y109-Y143 PolarHBondContact O-OH 3.22Å; L110-Y143 HydrophobicContact CD1-CE2 4.11Å; A138-Y143 CarbonylContact C-O 3.54Å; A138-Y143 VanDerWaalsContact C-O 3.25Å; A138-Y143 WeakPolarHBondContact O-CA 3.32Å; A138-Y143 PolarHBondContact O-N 3.49Å; A138-Y143 VanDerWaalsContact O-O 3.07Å; E139-Y143 WeakPolarHBondContact CA-O 3.46Å; E139-Y143 PolarHBondContact N-O 2.89Å; L141-Y143 HydrophobicContact CB-CD2 3.78Å; L141-Y143 HydrophobicContact CB-CE2 4.21Å; Y143-I151 HydrophobicContact CD2-CD1 3.91Å; Y143-I151 HydrophobicContact CG-CD1 4.12Å | ||
| 144 | Q | 85.3 | Confident | 89.5 | Confident | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | trans | -63.4 | 144 | 170.4 | -65.3 | 179.9 | -11.1 | 0 | 0 | 110.6 | R146 H147 | Q144-R146 HydrophobicContact CB-CG 4.07Å; Q144-R146 PolarHBondContact O-N 3.19Å; Q144-H147 WeakPolarHBondContact O-CB 3.19Å; Q144-H147 PolarHBondContact O-CD2 3.32Å; Q144-H147 PolarHBondContact O-N 2.73Å | ||
| 145 | S | 86.8 | Confident | 89.4 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -56.9 | -23.5 | -173.9 | -14.9 | 0 | 0 | 0 | 0 | 113.6 | E139 H147 A148 | E139-S145 WeakPolarHBondContact OE1-CB 3.46Å; E139-S145 PolarHBondContact OE1-OG 3.45Å; S145-H147 PolarHBondContact O-N 3.49Å; S145-H147 VanDerWaalsContact O-N 3.16Å; S145-A148 WeakPolarHBondContact O-CB 3.48Å; S145-A148 PolarHBondContact O-N 2.88Å; S145-A148 VanDerWaalsContact O-N 3.09Å |
| 146 | R | 89.7 | Confident | 89.3 | Confident | 187 Ų | 187 | 57 Ų | 57 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -58.4 | -22.9 | 172.2 | 70.4 | -178.8 | -178.3 | -168.9 | -5.4 | 114.4 | Q144 A148 | Q144-R146 HydrophobicContact CB-CG 4.07Å; Q144-R146 PolarHBondContact O-N 3.19Å; R146-A148 VanDerWaalsContact C-N 3.35Å |
| 147 | H | 89.5 | Confident | 89 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 15% | 0.153 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -87.2 | -2.9 | 179.6 | -59.8 | -64.7 | 0 | 0 | 0 | 113.2 | I105 S106 Q144 S145 H149 S150 I151 | I105-H147 HydrophobicContact CG2-CB 4.11Å; S106-H147 PolarHBondContact OG-CE1 3.47Å; S106-H147 PolarHBondContact OG-NE2 3.22Å; S106-H147 VanDerWaalsContact OG-NE2 3.16Å; Q144-H147 WeakPolarHBondContact O-CB 3.19Å; Q144-H147 PolarHBondContact O-CD2 3.32Å; Q144-H147 PolarHBondContact O-N 2.73Å; S145-H147 PolarHBondContact O-N 3.49Å; S145-H147 VanDerWaalsContact O-N 3.16Å; H147-H149 VanDerWaalsContact C-N 3.33Å; H147-H149 PolarHBondContact O-N 3.48Å; H147-S150 WeakPolarHBondContact O-CB 3.33Å; H147-S150 PolarHBondContact O-N 2.97Å; H147-I151 HydrophobicContact CB-CD1 4.45Å; H147-I151 WeakPolarHBondContact O-CG1 3.42Å; H147-I151 PolarHBondContact O-N 3.04Å |
| 148 | A | 89.8 | Confident | 88.6 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 12% | 0.116 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.4 | -44.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | W134 A138 S145 R146 S150 I151 K152 | W134-A148 HydrophobicContact CB-CB 4.03Å; W134-A148 WeakPolarHBondContact O-CB 3.4Å; A138-A148 HydrophobicContact CB-CB 4.31Å; S145-A148 WeakPolarHBondContact O-CB 3.48Å; S145-A148 PolarHBondContact O-N 2.88Å; S145-A148 VanDerWaalsContact O-N 3.09Å; R146-A148 VanDerWaalsContact C-N 3.35Å; A148-S150 PolarHBondContact O-N 3.49Å; A148-I151 PolarHBondContact O-N 3.09Å; A148-K152 WeakPolarHBondContact O-CB 3.25Å; A148-K152 PolarHBondContact O-N 3.36Å |
| 149 | H | 90.2 | Very high | 88.5 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 67% | 0.667 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 179.2 | -176 | 72.2 | 0 | 0 | 0 | 112.7 | H147 K152 T153 | H147-H149 VanDerWaalsContact C-N 3.33Å; H147-H149 PolarHBondContact O-N 3.48Å; H149-K152 PolarHBondContact O-N 3.28Å; H149-T153 WeakPolarHBondContact O-CB 3.29Å; H149-T153 PolarHBondContact O-N 3.23Å; H149-T153 PolarHBondContact O-OG1 2.96Å |
| 150 | S | 90.5 | Very high | 88.4 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 34% | 0.336 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.3 | -176 | 0 | 0 | 0 | 0 | 111 | H147 A148 K152 T153 N154 | H147-S150 WeakPolarHBondContact O-CB 3.33Å; H147-S150 PolarHBondContact O-N 2.97Å; A148-S150 PolarHBondContact O-N 3.49Å; S150-K152 PolarHBondContact O-N 3.42Å; S150-T153 PolarHBondContact O-N 3.24Å; S150-N154 PolarHBondContact O-N 3.42Å; S150-N154 PolarHBondContact O-ND2 2.86Å; S150-N154 PolarHBondContact OG-ND2 3.41Å |
| 151 | I | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 177.5 | -67.4 | 170.7 | 0 | 0 | 0 | 110.8 | I105 L110 L115 W134 A138 L141 Y143 H147 A148 T153 N154 Y155 | I105-I151 HydrophobicContact CD1-CG1 3.75Å; L110-I151 HydrophobicContact CD1-CG1 4.45Å; L115-I151 HydrophobicContact CD1-CG2 3.43Å; L115-I151 VanDerWaalsContact CD1-CG2 3.43Å; L115-I151 HydrophobicContact CD2-CG2 4.24Å; L115-I151 HydrophobicContact CG-CG2 4.49Å; W134-I151 HydrophobicContact CE3-CG2 4.19Å; W134-I151 HydrophobicContact CZ3-CG2 4.1Å; A138-I151 HydrophobicContact CB-CD1 3.63Å; L141-I151 HydrophobicContact CD1-CD1 4.5Å; L141-I151 HydrophobicContact CD1-CG2 4.21Å; Y143-I151 HydrophobicContact CD2-CD1 3.91Å; Y143-I151 HydrophobicContact CG-CD1 4.12Å; H147-I151 HydrophobicContact CB-CD1 4.45Å; H147-I151 WeakPolarHBondContact O-CG1 3.42Å; H147-I151 PolarHBondContact O-N 3.04Å; A148-I151 PolarHBondContact O-N 3.09Å; I151-T153 PolarHBondContact O-N 3.01Å; I151-N154 PolarHBondContact O-N 2.71Å; I151-Y155 PolarHBondContact O-N 2.81Å |
| 152 | K | 92.8 | Very high | 88 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 27% | 0.27 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.7 | -51 | 174.7 | 178.5 | -176.6 | 175.7 | -178.5 | 0 | 112.1 | Y125 C129 W134 A148 H149 S150 N154 Y155 E156 | Y125-K152 HydrophobicContact CE2-CG 4.28Å; Y125-K152 WeakPolarHBondContact OH-CE 3.32Å; C129-K152 VanDerWaalsContact SG-CE 3.57Å; W134-K152 HydrophobicContact CD2-CB 3.62Å; W134-K152 HydrophobicContact CD2-CD 4.48Å; W134-K152 HydrophobicContact CD2-CG 3.98Å; W134-K152 HydrophobicContact CE3-CB 3.84Å; W134-K152 HydrophobicContact CG-CB 4.06Å; W134-K152 HydrophobicContact CG-CD 4.41Å; W134-K152 HydrophobicContact CG-CG 4.4Å; W134-K152 HydrophobicContact CH2-CB 4.37Å; W134-K152 HydrophobicContact CH2-CG 4.43Å; W134-K152 HydrophobicContact CZ2-CB 4.18Å; W134-K152 HydrophobicContact CZ2-CG 3.87Å; W134-K152 HydrophobicContact CZ3-CB 4.21Å; A148-K152 WeakPolarHBondContact O-CB 3.25Å; A148-K152 PolarHBondContact O-N 3.36Å; H149-K152 PolarHBondContact O-N 3.28Å; S150-K152 PolarHBondContact O-N 3.42Å; K152-N154 VanDerWaalsContact C-N 3.28Å; K152-N154 PolarHBondContact O-N 2.9Å; K152-Y155 VanDerWaalsContact O-CB 3.3Å; K152-Y155 WeakPolarHBondContact O-CB 3.2Å; K152-Y155 PolarHBondContact O-N 3.02Å; K152-Y155 VanDerWaalsContact O-N 3.12Å; K152-E156 PolarHBondContact O-N 3.48Å; K152-E156 VanDerWaalsContact O-N 3.09Å |
| 153 | T | 90.9 | Very high | 88 | Confident | 36 Ų | 36 | 53 Ų | 53 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | -177.4 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | H149 S150 I151 K157 | H149-T153 WeakPolarHBondContact O-CB 3.29Å; H149-T153 PolarHBondContact O-N 3.23Å; H149-T153 PolarHBondContact O-OG1 2.96Å; S150-T153 PolarHBondContact O-N 3.24Å; I151-T153 PolarHBondContact O-N 3.01Å; T153-K157 HydrophobicContact CG2-CD 4.32Å; T153-K157 VanDerWaalsContact O-CG 3.3Å; T153-K157 WeakPolarHBondContact O-CG 3.21Å; T153-K157 PolarHBondContact O-N 3.38Å |
| 154 | N | 89 | Confident | 87.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.3 | -34.7 | 175.9 | -73.3 | -56.6 | 0 | 0 | 0 | 112.1 | P103 L110 S150 I151 K152 K157 L158 | P103-N154 HydrophobicContact CG-CB 4.12Å; P103-N154 WeakPolarHBondContact CG-OD1 3.4Å; L110-N154 HydrophobicContact CD2-CB 3.79Å; S150-N154 PolarHBondContact O-N 3.42Å; S150-N154 PolarHBondContact O-ND2 2.86Å; S150-N154 PolarHBondContact OG-ND2 3.41Å; I151-N154 PolarHBondContact O-N 2.71Å; K152-N154 VanDerWaalsContact C-N 3.28Å; K152-N154 PolarHBondContact O-N 2.9Å; N154-K157 PolarHBondContact O-N 3.44Å; N154-L158 WeakPolarHBondContact O-CB 3.41Å; N154-L158 WeakPolarHBondContact O-CG 3.41Å; N154-L158 PolarHBondContact O-N 3.18Å |
| 155 | Y | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 173 | -160.9 | -78.4 | 0 | 0 | 0 | 112.2 | L115 V119 Y125 W134 I151 K152 K157 L158 L159 L160 D163 | L115-Y155 HydrophobicContact CD1-CD2 3.82Å; L115-Y155 HydrophobicContact CD1-CE2 4.37Å; L115-Y155 HydrophobicContact CD2-CD2 3.84Å; L115-Y155 HydrophobicContact CG-CD2 3.54Å; L115-Y155 HydrophobicContact CG-CE2 4Å; V119-Y155 HydrophobicContact CB-CD2 4.23Å; V119-Y155 HydrophobicContact CB-CE2 3.43Å; V119-Y155 VanDerWaalsContact CB-CE2 3.43Å; V119-Y155 WeakPolarHBondContact CB-OH 3.35Å; V119-Y155 HydrophobicContact CG1-CD2 4.48Å; V119-Y155 HydrophobicContact CG1-CE1 4.08Å; V119-Y155 HydrophobicContact CG1-CE2 3.76Å; V119-Y155 VanDerWaalsContact CG1-CZ 3.5Å; V119-Y155 WeakPolarHBondContact CG1-OH 3.47Å; V119-Y155 HydrophobicContact CG2-CD2 3.67Å; V119-Y155 HydrophobicContact CG2-CE2 3.36Å; Y125-Y155 AromaticContact CD2-CD1 3.48Å; Y125-Y155 HydrophobicContact CD2-CD1 3.48Å; Y125-Y155 VanDerWaalsContact CD2-CD1 3.48Å; Y125-Y155 HydrophobicContact CD2-CE1 4.01Å; Y125-Y155 HydrophobicContact CD2-CG 4.19Å; Y125-Y155 HydrophobicContact CE2-CD1 4.23Å; Y125-Y155 HydrophobicContact CG-CD1 4.3Å; Y125-Y155 HydrophobicContact CG-CE1 4.46Å; W134-Y155 HydrophobicContact CH2-CD1 4.46Å; W134-Y155 HydrophobicContact CH2-CD2 4.02Å; W134-Y155 AromaticContact CH2-CG 3.82Å; W134-Y155 HydrophobicContact CH2-CG 3.82Å; W134-Y155 HydrophobicContact CZ3-CD2 4.41Å; W134-Y155 HydrophobicContact CZ3-CG 4.5Å; I151-Y155 PolarHBondContact O-N 2.81Å; K152-Y155 VanDerWaalsContact O-CB 3.3Å; K152-Y155 WeakPolarHBondContact O-CB 3.2Å; K152-Y155 PolarHBondContact O-N 3.02Å; K152-Y155 VanDerWaalsContact O-N 3.12Å; Y155-K157 PolarHBondContact O-N 3.45Å; Y155-L158 PolarHBondContact O-N 2.98Å; Y155-L159 HydrophobicContact CD1-CB 4.16Å; Y155-L159 HydrophobicContact CD2-CB 4.36Å; Y155-L159 HydrophobicContact CD2-CD1 3.92Å; Y155-L159 HydrophobicContact CE1-CB 4.05Å; Y155-L159 HydrophobicContact CE2-CB 4.25Å; Y155-L159 HydrophobicContact CE2-CD1 3.85Å; Y155-L159 HydrophobicContact CG-CB 4.32Å; Y155-L159 PolarHBondContact O-N 3.32Å; Y155-L160 HydrophobicContact CD1-CB 4.46Å; Y155-L160 PolarHBondContact O-N 3Å; Y155-D163 WeakPolarHBondContact CE1-OD2 3.43Å; Y155-D163 VanDerWaalsContact CZ-OD2 3.23Å; Y155-D163 PolarHBondContact OH-OD2 3.23Å |
| 156 | E | 88.4 | Confident | 86.5 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.1 | -39.5 | 178.8 | -73.5 | -179.7 | 142.5 | 0 | 0 | 112 | Y125 K152 | Y125-E156 HydrophobicContact CE1-CG 4.12Å; Y125-E156 HydrophobicContact CE2-CG 3.48Å; Y125-E156 VanDerWaalsContact CE2-CG 3.48Å; Y125-E156 WeakPolarHBondContact OH-CG 3.23Å; Y125-E156 PolarHBondContact OH-OE1 3.22Å; K152-E156 PolarHBondContact O-N 3.48Å; K152-E156 VanDerWaalsContact O-N 3.09Å |
| 157 | K | 85.1 | Confident | 85.3 | Confident | 149 Ų | 149 | 45.8 Ų | 45.8 | 65% | 0.648 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -77.8 | -35.9 | -176.5 | -72.5 | 175.5 | -178 | 179 | 0 | 113.8 | T153 N154 Y155 | T153-K157 HydrophobicContact CG2-CD 4.32Å; T153-K157 VanDerWaalsContact O-CG 3.3Å; T153-K157 WeakPolarHBondContact O-CG 3.21Å; T153-K157 PolarHBondContact O-N 3.38Å; N154-K157 PolarHBondContact O-N 3.44Å; Y155-K157 PolarHBondContact O-N 3.45Å |
| 158 | L | 84.6 | Confident | 83.6 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -110.7 | -31 | -166.2 | -61.5 | 176.6 | 0 | 0 | 0 | 114.2 | P103 L112 N154 Y155 | P103-L158 HydrophobicContact CG-CD1 4.28Å; L112-L158 HydrophobicContact CD2-CD1 3.95Å; N154-L158 WeakPolarHBondContact O-CB 3.41Å; N154-L158 WeakPolarHBondContact O-CG 3.41Å; N154-L158 PolarHBondContact O-N 3.18Å; Y155-L158 PolarHBondContact O-N 2.98Å |
| 159 | L | 87.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -27.9 | -167.3 | -65.2 | 176.6 | 0 | 0 | 0 | 113.7 | F84 L88 L112 L115 H116 Y155 S161 F162 D163 | F84-L159 HydrophobicContact CE1-CD2 4.19Å; F84-L159 HydrophobicContact CZ-CD2 3.83Å; L88-L159 HydrophobicContact CD1-CD2 4Å; L88-L159 HydrophobicContact CD2-CD2 3.67Å; L88-L159 HydrophobicContact CG-CD2 4.5Å; L112-L159 HydrophobicContact CB-CD1 4.48Å; L112-L159 HydrophobicContact CB-CD2 4.43Å; L112-L159 HydrophobicContact CD2-CD1 4.49Å; L112-L159 WeakPolarHBondContact O-CD1 3.48Å; L115-L159 HydrophobicContact CB-CD1 4.48Å; L115-L159 HydrophobicContact CD2-CD1 4.07Å; L115-L159 HydrophobicContact CG-CD1 4.13Å; H116-L159 HydrophobicContact CB-CD1 4.13Å; Y155-L159 HydrophobicContact CD1-CB 4.16Å; Y155-L159 HydrophobicContact CD2-CB 4.36Å; Y155-L159 HydrophobicContact CD2-CD1 3.92Å; Y155-L159 HydrophobicContact CE1-CB 4.05Å; Y155-L159 HydrophobicContact CE2-CB 4.25Å; Y155-L159 HydrophobicContact CE2-CD1 3.85Å; Y155-L159 HydrophobicContact CG-CB 4.32Å; Y155-L159 PolarHBondContact O-N 3.32Å; L159-S161 PolarHBondContact O-N 2.91Å; L159-F162 WeakPolarHBondContact O-CB 3.22Å; L159-F162 PolarHBondContact O-N 3.35Å; L159-F162 VanDerWaalsContact O-N 3.14Å; L159-D163 PolarHBondContact O-N 3.16Å |
| 160 | L | 87.7 | Confident | 78.8 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -43.4 | -173.8 | 180 | 60.8 | 0 | 0 | 0 | 113.4 | Y125 Y155 D163 Q164 | Y125-L160 HydrophobicContact CD1-CD1 3.8Å; Y125-L160 HydrophobicContact CD1-CD2 4.2Å; Y125-L160 HydrophobicContact CD2-CD1 4.49Å; Y125-L160 HydrophobicContact CE1-CD2 4.33Å; Y125-L160 HydrophobicContact CG-CD1 3.72Å; Y155-L160 HydrophobicContact CD1-CB 4.46Å; Y155-L160 PolarHBondContact O-N 3Å; L160-D163 PolarHBondContact O-N 2.97Å; L160-Q164 HydrophobicContact CD1-CG 4.44Å; L160-Q164 WeakPolarHBondContact O-CB 3.27Å; L160-Q164 VanDerWaalsContact O-CG 3.24Å; L160-Q164 WeakPolarHBondContact O-CG 3.46Å; L160-Q164 PolarHBondContact O-N 2.99Å |
| 161 | S | 82.4 | Confident | 76.2 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | 178.4 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | F91 L159 Q164 A165 | F91-S161 WeakPolarHBondContact CZ-O 3.3Å; L159-S161 PolarHBondContact O-N 2.91Å; S161-Q164 PolarHBondContact O-N 2.91Å; S161-A165 WeakPolarHBondContact O-CB 3.38Å; S161-A165 PolarHBondContact O-N 3.29Å |
| 162 | F | 84.2 | Confident | 73.3 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 174.1 | 174.1 | -99.6 | 0 | 0 | 0 | 111 | F84 R87 L88 F91 L159 Q164 A165 V166 | F84-F162 HydrophobicContact CD2-CE1 4.23Å; F84-F162 HydrophobicContact CE2-CD1 4.24Å; F84-F162 AromaticContact CE2-CE1 3.59Å; F84-F162 HydrophobicContact CE2-CE1 3.59Å; F84-F162 HydrophobicContact CE2-CZ 4.34Å; F84-F162 HydrophobicContact CZ-CE1 4.25Å; R87-F162 HydrophobicContact CB-CE2 4.22Å; R87-F162 HydrophobicContact CB-CZ 4.16Å; L88-F162 HydrophobicContact CD1-CB 3.57Å; L88-F162 HydrophobicContact CD1-CD1 4.11Å; L88-F162 HydrophobicContact CD1-CD2 3.79Å; L88-F162 HydrophobicContact CD1-CG 3.55Å; F91-F162 HydrophobicContact CB-CD2 3.65Å; F91-F162 HydrophobicContact CB-CE2 4.1Å; F91-F162 HydrophobicContact CD1-CB 3.8Å; F91-F162 AromaticContact CD1-CD2 3.87Å; F91-F162 HydrophobicContact CD1-CD2 3.87Å; F91-F162 HydrophobicContact CD1-CG 4.35Å; F91-F162 HydrophobicContact CD2-CD2 4.29Å; F91-F162 HydrophobicContact CE1-CB 3.86Å; F91-F162 HydrophobicContact CG-CB 4.4Å; F91-F162 AromaticContact CG-CD2 3.67Å; F91-F162 HydrophobicContact CG-CD2 3.67Å; L159-F162 WeakPolarHBondContact O-CB 3.22Å; L159-F162 PolarHBondContact O-N 3.35Å; L159-F162 VanDerWaalsContact O-N 3.14Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 3.19Å; F162-A165 PolarHBondContact O-N 2.89Å; F162-V166 HydrophobicContact CD2-CG2 4.23Å; F162-V166 HydrophobicContact CE1-CG2 4.2Å; F162-V166 HydrophobicContact CE2-CG2 3.89Å; F162-V166 HydrophobicContact CZ-CG2 3.88Å; F162-V166 WeakPolarHBondContact O-CG2 3.29Å; F162-V166 PolarHBondContact O-N 3.34Å |
| 163 | D | 83.9 | Confident | 70.5 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 178.1 | -73.3 | 2.8 | 0 | 0 | 0 | 111.8 | H116 Y155 L159 L160 V166 S167 | H116-D163 IonicContact CE1-OD1 3.8Å; H116-D163 PolarHBondContact CE1-OD1 3.07Å; H116-D163 IonicContact ND1-OD1 3.76Å; H116-D163 PolarHBondContact ND1-OD1 3.47Å; H116-D163 IonicContact ND1-OD2 3.77Å; Y155-D163 WeakPolarHBondContact CE1-OD2 3.43Å; Y155-D163 VanDerWaalsContact CZ-OD2 3.23Å; Y155-D163 PolarHBondContact OH-OD2 3.23Å; L159-D163 PolarHBondContact O-N 3.16Å; L160-D163 PolarHBondContact O-N 2.97Å; D163-V166 PolarHBondContact O-N 3.42Å; D163-S167 WeakPolarHBondContact O-CA 3.39Å; D163-S167 WeakPolarHBondContact O-CB 3.26Å; D163-S167 PolarHBondContact O-N 2.96Å; D163-S167 PolarHBondContact O-OG 3.49Å |
| 164 | Q | 78.9 | Confident | 67.5 | Low | 69 Ų | 69 | 72.8 Ų | 72.8 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.9 | -74 | 169.6 | -16.9 | 0 | 0 | 111.1 | L160 S161 F162 V166 S167 Y168 | L160-Q164 HydrophobicContact CD1-CG 4.44Å; L160-Q164 WeakPolarHBondContact O-CB 3.27Å; L160-Q164 VanDerWaalsContact O-CG 3.24Å; L160-Q164 WeakPolarHBondContact O-CG 3.46Å; L160-Q164 PolarHBondContact O-N 2.99Å; S161-Q164 PolarHBondContact O-N 2.91Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 3.19Å; Q164-V166 VanDerWaalsContact C-N 3.29Å; Q164-V166 PolarHBondContact O-N 3.38Å; Q164-S167 PolarHBondContact O-N 3.09Å; Q164-Y168 HydrophobicContact CB-CE2 4.49Å; Q164-Y168 WeakPolarHBondContact O-CD2 3.45Å; Q164-Y168 PolarHBondContact O-N 2.85Å |
| 165 | A | 73.8 | Confident | 64.8 | Low | 34 Ų | 34 | 78 Ų | 78 | 28% | 0.281 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.3 | -34.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F91 S161 F162 | F91-A165 HydrophobicContact CD2-CB 4.16Å; F91-A165 HydrophobicContact CE2-CB 3.42Å; F91-A165 VanDerWaalsContact CE2-CB 3.42Å; F91-A165 HydrophobicContact CZ-CB 4.07Å; S161-A165 WeakPolarHBondContact O-CB 3.38Å; S161-A165 PolarHBondContact O-N 3.29Å; F162-A165 PolarHBondContact O-N 2.89Å |
| 166 | V | 74 | Confident | 61.7 | Low | 41 Ų | 41 | 84.5 Ų | 84.5 | 25% | 0.248 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -86.7 | -29 | -179.4 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | F162 D163 Q164 | F162-V166 HydrophobicContact CD2-CG2 4.23Å; F162-V166 HydrophobicContact CE1-CG2 4.2Å; F162-V166 HydrophobicContact CE2-CG2 3.89Å; F162-V166 HydrophobicContact CZ-CG2 3.88Å; F162-V166 WeakPolarHBondContact O-CG2 3.29Å; F162-V166 PolarHBondContact O-N 3.34Å; D163-V166 PolarHBondContact O-N 3.42Å; Q164-V166 VanDerWaalsContact C-N 3.29Å; Q164-V166 PolarHBondContact O-N 3.38Å |
| 167 | S | 66.1 | Low | 58.7 | Low | 84 Ų | 84 | 86.5 Ų | 86.5 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -98.3 | -12.1 | -168.5 | -50.6 | 0 | 0 | 0 | 0 | 116.4 | D163 Q164 P169 | D163-S167 WeakPolarHBondContact O-CA 3.39Å; D163-S167 WeakPolarHBondContact O-CB 3.26Å; D163-S167 PolarHBondContact O-N 2.96Å; D163-S167 PolarHBondContact O-OG 3.49Å; Q164-S167 PolarHBondContact O-N 3.09Å; S167-P169 VanDerWaalsContact O-CD 3.31Å; S167-P169 WeakPolarHBondContact O-CD 3.49Å |
| 168 | Y | 52 | Low | 55.9 | Low | 141 Ų | 141 | 88.4 Ų | 88.4 | 55% | 0.553 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 118.4 | -179.3 | -98.1 | -80.6 | 0 | 0 | 0 | 112.3 | Q164 | Q164-Y168 HydrophobicContact CB-CE2 4.49Å; Q164-Y168 WeakPolarHBondContact O-CD2 3.45Å; Q164-Y168 PolarHBondContact O-N 2.85Å |
| 169 | P | 44.4 | Very low | 53.2 | Low | 107 Ų | 107 | 91.1 Ų | 91.1 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -73 | 131.8 | 170.9 | 14.7 | -4.3 | 0 | 0 | 0 | 109.4 | S167 | S167-P169 VanDerWaalsContact O-CD 3.31Å; S167-P169 WeakPolarHBondContact O-CD 3.49Å |
| 170 | S | 35 | Very low | 50.3 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 56% | 0.559 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.6 | 172 | 13.7 | 0 | 0 | 0 | 0 | 109.8 | R288 | S170-R288 PolarHBondContact OG-NH1 3.44Š|
| 171 | P | 37.4 | Very low | 47.6 | Very low | 102 Ų | 102 | 106 Ų | 106 | 66% | 0.662 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 143.9 | 177.2 | 23 | -28.4 | 0 | 0 | 0 | 110.6 | N173 | P171-N173 PolarHBondContact O-N 2.94Š|
| 172 | P | 30.1 | Very low | 44.8 | Very low | 124 Ų | 124 | 112.4 Ų | 112.4 | 81% | 0.805 | 61% | 0.61 | S | S | * | * | trans | -80.2 | 88.3 | -178.1 | 32.4 | -31.8 | 0 | 0 | 0 | 110 | K174 | P172-K174 PolarHBondContact O-N 2.82Å; P172-K174 VanDerWaalsContact O-N 3.15Å | ||
| 173 | N | 33.3 | Very low | 42 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | trans | -79.3 | 99.9 | 172.1 | -94.3 | -7.2 | 0 | 0 | 0 | 111 | P171 T175 | P171-N173 PolarHBondContact O-N 2.94Å; N173-T175 PolarHBondContact O-N 3.08Å | ||
| 174 | K | 28.1 | Very low | 39.3 | Very low | 198 Ų | 198 | 126.2 Ų | 126.2 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | trans | -63.4 | 115.8 | 158.1 | -68.7 | 174.1 | 177.5 | 175.3 | 0 | 108.6 | P172 | P172-K174 PolarHBondContact O-N 2.82Å; P172-K174 VanDerWaalsContact O-N 3.15Å | ||
| 175 | T | 31.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 126 Ų | 126 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | trans | -166.9 | 132.9 | 144.2 | 13.1 | 0 | 0 | 0 | 0 | 109.8 | N173 | N173-T175 PolarHBondContact O-N 3.08Š| ||
| 176 | T | 27.1 | Very low | 34.6 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | -64.3 | 127.2 | -171.2 | 40 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 177 | C | 26.2 | Very low | 32.4 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -150.1 | 128 | 145.5 | -136.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 178 | H | 24.7 | Very low | 30.5 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | trans | -66.9 | 143.2 | -169.5 | -73.7 | -83.1 | 0 | 0 | 0 | 113.8 | ||||
| 179 | P | 28.6 | Very low | 29.2 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | trans | -125.8 | 113.9 | 145.9 | 14.8 | 6.2 | 0 | 0 | 0 | 111.4 | S181 | P179-S181 PolarHBondContact O-N 3.41Å; P179-S181 VanDerWaalsContact O-N 3.11Å | ||
| 180 | R | 26.4 | Very low | 28.4 | Very low | 253 Ų | 253 | 145.1 Ų | 145.1 | 96% | 0.955 | 75% | 0.745 | S | S | * | * | trans | -65.6 | 98 | 154.5 | -82.6 | 177.6 | 167.1 | 173.5 | -3.6 | 108 | ||||
| 181 | S | 30.5 | Very low | 28 | Very low | 96 Ų | 96 | 150 Ų | 150 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 177.2 | 125.3 | 142.4 | 45.5 | 0 | 0 | 0 | 0 | 110.3 | P179 W183 | P179-S181 PolarHBondContact O-N 3.41Å; P179-S181 VanDerWaalsContact O-N 3.11Å; S181-W183 PolarHBondContact O-N 2.64Å |
| 182 | R | 24.3 | Very low | 27.4 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 67% | 0.672 | 76% | 0.762 | S | S | * | * | trans | 6.8 | 98.7 | 163.9 | -95.3 | 169.7 | 176.2 | 150.2 | 1.7 | 117 | S184 K752 | R182-S184 PolarHBondContact O-N 2.8Å; R182-K752 VanDerWaalsContact NE-CE 3.27Å; R182-K752 VanDerWaalsContact NH1-CE 3.34Å; R182-K752 VanDerWaalsContact NH1-NZ 3.16Å | ||
| 183 | W | 25 | Very low | 27.4 | Very low | 215 Ų | 215 | 150.1 Ų | 150.1 | 81% | 0.814 | 76% | 0.757 | S | S | * | * | trans | -74.4 | 101.6 | 159.8 | -80.6 | 53.8 | 0 | 0 | 0 | 109.4 | S181 Y186 | S181-W183 PolarHBondContact O-N 2.64Å; W183-Y186 HydrophobicContact CZ3-CE2 4.47Å | ||
| 184 | S | 27.4 | Very low | 27.1 | Very low | 94 Ų | 94 | 151 Ų | 151 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | -119.5 | 125.5 | 164 | 56.7 | 0 | 0 | 0 | 0 | 108.5 | R182 | R182-S184 PolarHBondContact O-N 2.8Š| ||
| 185 | G | 27 | Very low | 27.2 | Very low | 66 Ų | 66 | 147.7 Ų | 147.7 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | trans | 6.7 | 116.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | K187 | G185-K187 PolarHBondContact O-N 3.28Š| ||
| 186 | Y | 27.7 | Very low | 27.1 | Very low | 220 Ų | 220 | 147.8 Ų | 147.8 | 86% | 0.863 | 74% | 0.739 | S | S | * | * | trans | -44.2 | 97.9 | 172.2 | -100.3 | -104.6 | 0 | 0 | 0 | 112.2 | W183 | W183-Y186 HydrophobicContact CZ3-CE2 4.47Š| ||
| 187 | K | 27.1 | Very low | 27.3 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 65% | 0.652 | 72% | 0.721 | S | S | * | * | trans | -79.3 | 122 | 157.4 | -80.1 | -178.5 | 171.6 | -178.6 | 0 | 107.4 | G185 C189 | G185-K187 PolarHBondContact O-N 3.28Å; K187-C189 PolarHBondContact O-N 2.75Å | ||
| 188 | R | 27.2 | Very low | 27.6 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -63.4 | 124.1 | 163.2 | -115.9 | 175 | 176.6 | 163.8 | -0.7 | 107.4 | H293 | R188-H293 PolarHBondContact NH2-CE1 3.29Å; R188-H293 PolarHBondContact NH2-ND1 2.95Å | ||
| 189 | C | 24.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 71% | 0.709 | 68% | 0.683 | S | S | * | * | trans | -107 | 102.9 | 174.4 | -142.3 | 0 | 0 | 0 | 0 | 106 | K187 | K187-C189 PolarHBondContact O-N 2.75Š| ||
| 190 | R | 26.8 | Very low | 28.5 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 54% | 0.536 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 117.5 | 159.1 | -96.9 | -179.9 | 163.5 | 144.2 | 1.7 | 106.1 | D296 E732 | R190-D296 IonicContact CZ-OD1 3.84Å; R190-D296 IonicContact CZ-OD2 3.72Å; R190-D296 IonicContact NH1-OD1 2.77Å; R190-D296 PolarHBondContact NH1-OD1 3.48Å; R190-D296 VanDerWaalsContact NH1-OD1 3.09Å; R190-D296 IonicContact NH1-OD2 3.85Å; R190-D296 IonicContact NH2-OD1 3.63Å; R190-D296 PolarHBondContact NH2-OD1 3.39Å; R190-D296 VanDerWaalsContact NH2-OD1 3.16Å; R190-D296 IonicContact NH2-OD2 2.73Å; R190-D296 PolarHBondContact NH2-OD2 2.9Å; R190-E732 IonicContact NH1-OE1 3.51Å |
| 191 | K | 27.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 80% | 0.796 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136.2 | 166.5 | -87.2 | -177.6 | 172.6 | -176.1 | 0 | 107.7 | ||
| 192 | S | 23.5 | Very low | 29.6 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 121.8 | 177.9 | 52.1 | 0 | 0 | 0 | 0 | 114 | ||
| 193 | T | 30 | Very low | 30.3 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 71% | 0.712 | 62% | 0.624 | S | S | * | * | trans | -121.3 | 125.2 | 154.3 | 33.5 | 0 | 0 | 0 | 0 | 106.6 | E195 | T193-E195 PolarHBondContact O-N 2.75Å; T193-E195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | E | 27.8 | Very low | 30.8 | Very low | 172 Ų | 172 | 117.7 Ų | 117.7 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | trans | -46.1 | 108.2 | -176 | -65.6 | 173 | 151.4 | 0 | 0 | 112.2 | ||||
| 195 | E | 29.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 115 Ų | 115 | 59% | 0.593 | 59% | 0.592 | S | S | * | * | trans | -78.3 | 137.1 | 170.8 | -70.1 | 175.5 | 159.5 | 0 | 0 | 109.1 | T193 K197 N730 | T193-E195 PolarHBondContact O-N 2.75Å; T193-E195 VanDerWaalsContact O-N 3.1Å; E195-K197 PolarHBondContact O-N 3.44Å; E195-N730 HydrophobicContact CB-CB 4.42Å; E195-N730 PolarHBondContact O-ND2 3.02Å | ||
| 196 | N | 29.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 113.3 Ų | 113.3 | 74% | 0.738 | 57% | 0.567 | S | S | * | * | trans | -59.2 | 115.3 | 173.6 | -74.7 | -48.1 | 0 | 0 | 0 | 109.1 | I198 | N196-I198 PolarHBondContact O-N 3.47Š| ||
| 197 | K | 31.3 | Very low | 32 | Very low | 103 Ų | 103 | 107.5 Ų | 107.5 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | trans | -51.8 | 108.4 | 176.6 | -111.5 | 164.5 | -173.2 | 166.2 | 0 | 110.6 | E195 D199 D727 S729 | E195-K197 PolarHBondContact O-N 3.44Å; K197-D199 PolarHBondContact O-N 3.11Å; K197-D727 WeakPolarHBondContact CD-OD2 3.35Å; K197-D727 WeakPolarHBondContact CE-OD1 3.47Å; K197-D727 WeakPolarHBondContact CE-OD2 3.18Å; K197-D727 PolarHBondContact NZ-O 2.79Å; K197-D727 IonicContact NZ-OD1 2.64Å; K197-D727 PolarHBondContact NZ-OD1 2.89Å; K197-D727 VanDerWaalsContact NZ-OD1 3.15Å; K197-D727 IonicContact NZ-OD2 3.6Å; K197-D727 PolarHBondContact NZ-OD2 3.29Å; K197-S729 WeakPolarHBondContact CE-OG 3.39Å; K197-S729 WeakPolarHBondContact CG-OG 3.34Å | ||
| 198 | I | 33.5 | Very low | 32.5 | Very low | 87 Ų | 87 | 103.4 Ų | 103.4 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | trans | -70.6 | 119.5 | 160.8 | -62.5 | 173.8 | 0 | 0 | 0 | 105.7 | N196 Y200 L206 | N196-I198 PolarHBondContact O-N 3.47Å; I198-Y200 VanDerWaalsContact C-N 3.31Å; I198-Y200 HydrophobicContact CB-CE2 4.47Å; I198-Y200 WeakPolarHBondContact O-CD2 3.3Å; I198-Y200 PolarHBondContact O-N 2.88Å; I198-L206 HydrophobicContact CG2-CD1 4.47Å | ||
| 199 | D | 35.7 | Very low | 32.7 | Very low | 92 Ų | 92 | 98.7 Ų | 98.7 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | trans | -68.2 | 91.2 | 173.8 | -177.7 | 10.6 | 0 | 0 | 0 | 109.6 | K197 S201 A202 | K197-D199 PolarHBondContact O-N 3.11Å; D199-S201 PolarHBondContact O-N 3.49Å; D199-S201 WeakPolarHBondContact OD1-CA 3.31Å; D199-S201 WeakPolarHBondContact OD1-CB 3.47Å; D199-S201 PolarHBondContact OD1-N 2.61Å; D199-S201 PolarHBondContact OD1-OG 2.71Å; D199-S201 PolarHBondContact OD2-OG 3.48Å; D199-A202 HydrophobicContact CB-CB 4.21Å; D199-A202 WeakPolarHBondContact O-CB 3.09Å; D199-A202 PolarHBondContact O-N 3.03Å | ||
| 200 | Y | 35 | Very low | 33 | Very low | 72 Ų | 72 | 98.5 Ų | 98.5 | 28% | 0.282 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -10.9 | 172.5 | -69.7 | -85.9 | 0 | 0 | 0 | 112.4 | I198 L206 | I198-Y200 VanDerWaalsContact C-N 3.31Å; I198-Y200 HydrophobicContact CB-CE2 4.47Å; I198-Y200 WeakPolarHBondContact O-CD2 3.3Å; I198-Y200 PolarHBondContact O-N 2.88Å; Y200-L206 HydrophobicContact CD1-CB 4.25Å |
| 201 | S | 41 | Very low | 33.2 | Very low | 75 Ų | 75 | 98 Ų | 98 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -9.5 | 172.7 | 85.5 | 0 | 0 | 0 | 0 | 113.9 | D199 S203 | D199-S201 PolarHBondContact O-N 3.49Å; D199-S201 WeakPolarHBondContact OD1-CA 3.31Å; D199-S201 WeakPolarHBondContact OD1-CB 3.47Å; D199-S201 PolarHBondContact OD1-N 2.61Å; D199-S201 PolarHBondContact OD1-OG 2.71Å; D199-S201 PolarHBondContact OD2-OG 3.48Å; S201-S203 PolarHBondContact O-N 3.27Å |
| 202 | A | 40.4 | Very low | 33.2 | Very low | 75 Ų | 75 | 95.6 Ų | 95.6 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -72.9 | -22.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D199 | D199-A202 HydrophobicContact CB-CB 4.21Å; D199-A202 WeakPolarHBondContact O-CB 3.09Å; D199-A202 PolarHBondContact O-N 3.03Å |
| 203 | S | 37.9 | Very low | 33.3 | Very low | 33 Ų | 33 | 93.1 Ų | 93.1 | 23% | 0.231 | 49% | 0.493 | C | S | . | . | trans | -145.9 | 144.4 | 170.3 | 84.6 | 0 | 0 | 0 | 0 | 111.7 | S201 E205 L206 | S201-S203 PolarHBondContact O-N 3.27Å; S203-E205 PolarHBondContact O-N 3.34Å; S203-E205 PolarHBondContact OG-N 3.47Å; S203-L206 PolarHBondContact O-N 3.02Å; S203-L206 PolarHBondContact OG-N 3.03Å | ||
| 204 | N | 36.6 | Very low | 33.2 | Very low | 119 Ų | 119 | 88.9 Ų | 88.9 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.3 | -22.3 | 173.8 | -79.5 | -21.1 | 0 | 0 | 0 | 112.4 | K207 N208 | N204-K207 PolarHBondContact O-N 2.98Å; N204-N208 PolarHBondContact O-N 2.91Å |
| 205 | E | 35.4 | Very low | 33.1 | Very low | 37 Ų | 37 | 83.7 Ų | 83.7 | 17% | 0.173 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 179.8 | -63.2 | 162.4 | 173.3 | 0 | 0 | 111.8 | S203 L209 Q364 | S203-E205 PolarHBondContact O-N 3.34Å; S203-E205 PolarHBondContact OG-N 3.47Å; E205-L209 WeakPolarHBondContact O-CD1 3.48Å; E205-L209 PolarHBondContact O-N 3.5Å; E205-Q364 PolarHBondContact OE1-NE2 2.9Å |
| 206 | L | 35.6 | Very low | 33.1 | Very low | 30 Ų | 30 | 87.7 Ų | 87.7 | 16% | 0.157 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -75.7 | -26.7 | 178 | -70.3 | 170.8 | 0 | 0 | 0 | 113 | I198 Y200 S203 L209 | I198-L206 HydrophobicContact CG2-CD1 4.47Å; Y200-L206 HydrophobicContact CD1-CB 4.25Å; S203-L206 PolarHBondContact O-N 3.02Å; S203-L206 PolarHBondContact OG-N 3.03Å; L206-L209 HydrophobicContact CD2-CD1 4.4Å |
| 207 | K | 36.3 | Very low | 33.3 | Very low | 98 Ų | 98 | 86 Ų | 86 | 43% | 0.426 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 173.5 | -106.1 | 172.4 | -179 | 175.9 | 0 | 112.7 | N204 Q210 | N204-K207 PolarHBondContact O-N 2.98Å; K207-Q210 PolarHBondContact O-N 3.03Å |
| 208 | N | 35.8 | Very low | 33.2 | Very low | 65 Ų | 65 | 82.3 Ų | 82.3 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.2 | -26.8 | -177.5 | -68.1 | -11.2 | 0 | 0 | 0 | 112.5 | N204 Q210 F211 | N204-N208 PolarHBondContact O-N 2.91Å; N208-Q210 PolarHBondContact O-N 3.07Å; N208-F211 PolarHBondContact O-N 2.78Å |
| 209 | L | 31.4 | Very low | 32.9 | Very low | 92 Ų | 92 | 80.9 Ų | 80.9 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.8 | 173.8 | -78.5 | 161.4 | 0 | 0 | 0 | 114.4 | E205 L206 F211 | E205-L209 WeakPolarHBondContact O-CD1 3.48Å; E205-L209 PolarHBondContact O-N 3.5Å; L206-L209 HydrophobicContact CD2-CD1 4.4Å; L209-F211 VanDerWaalsContact C-N 3.34Å |
| 210 | Q | 31.8 | Very low | 32.6 | Very low | 100 Ų | 100 | 79 Ų | 79 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -12.3 | 175.6 | -72.7 | -176.9 | -19.5 | 0 | 0 | 113.4 | K207 N208 | K207-Q210 PolarHBondContact O-N 3.03Å; N208-Q210 PolarHBondContact O-N 3.07Å |
| 211 | F | 29.8 | Very low | 32.2 | Very low | 133 Ų | 133 | 79.7 Ų | 79.7 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -125.6 | 112 | -169.5 | -74.9 | -87.2 | 0 | 0 | 0 | 111.3 | N208 L209 | N208-F211 PolarHBondContact O-N 2.78Å; L209-F211 VanDerWaalsContact C-N 3.34Å |
| 212 | F | 28.2 | Very low | 31.8 | Very low | 131 Ų | 131 | 83.8 Ų | 83.8 | 58% | 0.575 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 73.1 | 30.6 | 163 | -53.8 | -77.6 | 0 | 0 | 0 | 120.5 | ||
| 213 | G | 26.2 | Very low | 31.2 | Very low | 60 Ų | 60 | 88.7 Ų | 88.7 | 62% | 0.619 | 47% | 0.472 | S | S | * | . | trans | -103.5 | 139.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G215 | G213-G215 PolarHBondContact O-N 3.03Š| ||
| 214 | P | 26.9 | Very low | 30.8 | Very low | 28 Ų | 28 | 89.6 Ų | 89.6 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -74.7 | 86.9 | 176.3 | 35.8 | -38.4 | 0 | 0 | 0 | 110.8 | D438 V562 | P214-D438 WeakPolarHBondContact CG-OD2 3.18Å; P214-V562 HydrophobicContact CB-CG2 3.66Å; P214-V562 HydrophobicContact CG-CG2 3.3Å |
| 215 | G | 27.4 | Very low | 30.4 | Very low | 63 Ų | 63 | 95.5 Ų | 95.5 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 90.4 | 130.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G213 K217 | G213-G215 PolarHBondContact O-N 3.03Å; G215-K217 PolarHBondContact O-N 3.4Å; G215-K217 VanDerWaalsContact O-N 3.13Å |
| 216 | R | 28.8 | Very low | 30 | Very low | 210 Ų | 210 | 99.3 Ų | 99.3 | 79% | 0.792 | 53% | 0.528 | S | S | * | . | trans | -61.6 | 114.2 | 176.8 | -64.9 | 179 | -179.6 | -179.2 | 0.4 | 108.9 | A218 | R216-A218 PolarHBondContact O-N 3Š| ||
| 217 | K | 33.9 | Very low | 29.7 | Very low | 103 Ų | 103 | 102.6 Ų | 102.6 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | trans | -64.4 | 86.8 | 150.5 | -65.8 | -178.8 | -165.8 | 171.4 | 0 | 105.5 | G215 V219 D358 | G215-K217 PolarHBondContact O-N 3.4Å; G215-K217 VanDerWaalsContact O-N 3.13Å; K217-V219 PolarHBondContact O-N 3.28Å; K217-D358 IonicContact NZ-OD1 2.74Å; K217-D358 PolarHBondContact NZ-OD1 3.11Å; K217-D358 IonicContact NZ-OD2 3.72Å; K217-D358 PolarHBondContact NZ-OD2 3.23Å | ||
| 218 | A | 29 | Very low | 29.3 | Very low | 26 Ų | 26 | 105.5 Ų | 105.5 | 22% | 0.215 | 57% | 0.574 | C | S | . | * | P | Polyproline II helix | trans | -62.7 | 135.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R216 V297 G299 | R216-A218 PolarHBondContact O-N 3Å; A218-V297 HydrophobicContact CB-CG1 3.46Å; A218-V297 VanDerWaalsContact CB-CG1 3.46Å; A218-G299 WeakPolarHBondContact O-CA 3.2Å |
| 219 | V | 28 | Very low | 28.9 | Very low | 57 Ų | 57 | 111.4 Ų | 111.4 | 35% | 0.345 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 131.1 | 163.4 | 176.7 | 0 | 0 | 0 | 0 | 106.7 | K217 Q302 | K217-V219 PolarHBondContact O-N 3.28Å; V219-Q302 HydrophobicContact CG1-CG 4.19Å; V219-Q302 HydrophobicContact CG2-CG 4.03Å |
| 220 | V | 29.7 | Very low | 28.8 | Very low | 51 Ų | 51 | 116.9 Ų | 116.9 | 31% | 0.309 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -75.6 | 128.9 | 175 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 221 | P | 26.8 | Very low | 28.9 | Very low | 88 Ų | 88 | 116.8 Ų | 116.8 | 57% | 0.571 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 141.5 | 174 | -19.3 | 31.2 | 0 | 0 | 0 | 112.1 | ||
| 222 | E | 31.5 | Very low | 28.9 | Very low | 160 Ų | 160 | 120 Ų | 120 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.4 | 175 | -74.9 | -170.8 | 153.2 | 0 | 0 | 112.2 | G224 | E222-G224 PolarHBondContact O-N 3.04Š|
| 223 | D | 28.5 | Very low | 29.3 | Very low | 178 Ų | 178 | 117.7 Ų | 117.7 | 95% | 0.952 | 64% | 0.638 | S | S | * | * | trans | -61.5 | 112.2 | 175.6 | -74.7 | -44.9 | 0 | 0 | 0 | 112.2 | ||||
| 224 | G | 28.7 | Very low | 30 | Very low | 53 Ų | 53 | 121.3 Ų | 121.3 | 55% | 0.546 | 64% | 0.643 | S | S | . | * | trans | -154.6 | 97.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E222 | E222-G224 PolarHBondContact O-N 3.04Š| ||
| 225 | R | 27.9 | Very low | 30.8 | Very low | 242 Ų | 242 | 126.2 Ų | 126.2 | 91% | 0.913 | 67% | 0.667 | S | S | * | * | trans | 49.2 | 131.9 | 158.9 | -74.3 | -175.2 | -170.1 | -168.9 | 3.8 | 121 | S227 | R225-S227 PolarHBondContact O-N 3.47Š| ||
| 226 | P | 28.3 | Very low | 32 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 124.7 | 174 | 30.4 | -30.8 | 0 | 0 | 0 | 111.7 | ||
| 227 | S | 28.4 | Very low | 33.4 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 138.6 | 169.2 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | R225 | R225-S227 PolarHBondContact O-N 3.47Š|
| 228 | N | 27.6 | Very low | 35 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 116.1 | -177.4 | -79 | -39 | 0 | 0 | 0 | 111.1 | ||
| 229 | F | 28.6 | Very low | 37.6 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -138.8 | 119.3 | 156.6 | -97.7 | -89.3 | 0 | 0 | 0 | 109.4 | ||||
| 230 | K | 29.5 | Very low | 40.4 | Very low | 207 Ų | 207 | 128 Ų | 128 | 90% | 0.9 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 126.6 | 173.3 | -79 | -177.2 | 173.3 | -176.1 | 0 | 109.1 | ||
| 231 | P | 32.4 | Very low | 42.9 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 131.9 | 160.4 | 8.2 | 9.2 | 0 | 0 | 0 | 109.7 | V233 | P231-V233 PolarHBondContact O-N 3.11Š|
| 232 | E | 30.2 | Very low | 45.5 | Very low | 200 Ų | 200 | 132.2 Ų | 132.2 | 94% | 0.935 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.1 | 172.4 | -70 | 178.3 | 158.7 | 0 | 0 | 110.3 | ||
| 233 | V | 36.7 | Very low | 48.2 | Very low | 83 Ų | 83 | 127 Ų | 127 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -127.9 | 139.9 | 173.5 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | P231 Q261 | P231-V233 PolarHBondContact O-N 3.11Å; V233-Q261 VanDerWaalsContact CG1-NE2 3.35Å | ||
| 234 | N | 41.7 | Very low | 50.6 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -61.6 | 142.5 | -169.2 | -155.1 | -3.1 | 0 | 0 | 0 | 114 | D236 | N234-D236 PolarHBondContact O-N 3.42Š| ||
| 235 | I | 43.7 | Very low | 53 | Low | 130 Ų | 130 | 123.5 Ų | 123.5 | 67% | 0.667 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -88.8 | 0.9 | -156.1 | -72.1 | 168.4 | 0 | 0 | 0 | 115.8 | ||
| 236 | D | 51.7 | Low | 55.1 | Low | 145 Ų | 145 | 113.1 Ų | 113.1 | 78% | 0.775 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -98.7 | 20.4 | -163.2 | -67.8 | -28.8 | 0 | 0 | 0 | 118.2 | N234 | N234-D236 PolarHBondContact O-N 3.42Š|
| 237 | E | 59.1 | Low | 57.4 | Low | 168 Ų | 168 | 113.6 Ų | 113.6 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | trans | -133.4 | 17 | -176.3 | -81.5 | -170 | 164.9 | 0 | 0 | 117.9 | N239 | E237-N239 PolarHBondContact O-N 3.31Š| ||
| 238 | Y | 67 | Low | 59.8 | Low | 83 Ų | 83 | 110.5 Ų | 110.5 | 33% | 0.325 | 57% | 0.57 | S | S | . | * | trans | -83.4 | 72.8 | -172.8 | -60.6 | -64.5 | 0 | 0 | 0 | 115.7 | L252 V254 C263 | Y238-L252 WeakPolarHBondContact O-CD2 3.1Å; Y238-V254 HydrophobicContact CD1-CG2 4.21Å; Y238-V254 HydrophobicContact CE1-CG1 4.14Å; Y238-V254 HydrophobicContact CE1-CG2 4.26Å; Y238-C263 WeakPolarHBondContact CD1-SG 3.25Å | ||
| 239 | N | 82.8 | Confident | 62.1 | Low | 99 Ų | 99 | 110.6 Ų | 110.6 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | trans | -97.2 | 139.3 | 172 | -71.3 | -17.8 | 0 | 0 | 0 | 112.7 | E237 R241 | E237-N239 PolarHBondContact O-N 3.31Å; N239-R241 PolarHBondContact O-N 2.86Å | ||
| 240 | C | 87.2 | Confident | 64.5 | Low | 1 Ų | 1 | 106.7 Ų | 106.7 | 1% | 0.007 | 56% | 0.557 | C | S | . | * | B | Isolated β-bridge | trans | -60.5 | 126.9 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | V242 C243 G244 H245 L252 C263 H265 | C240-V242 PolarHBondContact O-N 2.78Å; C240-V242 VanDerWaalsContact O-N 3.16Å; C240-C243 VanDerWaalsContact CB-SG 3.5Å; C240-C243 VanDerWaalsContact SG-SG 3.63Å; C240-G244 WeakPolarHBondContact O-CA 3.39Å; C240-G244 PolarHBondContact O-N 2.95Å; C240-H245 WeakPolarHBondContact CB-O 3.41Å; C240-H245 PolarHBondContact N-O 3.3Å; C240-L252 HydrophobicContact CB-CD1 3.91Å; C240-C263 CarbonylContact C-O 3.57Å; C240-C263 VanDerWaalsContact CA-O 3.32Å; C240-C263 WeakPolarHBondContact CA-O 3.39Å; C240-H265 PolarHBondContact SG-N 3.15Å; C240-H265 VanDerWaalsContact SG-N 3.39Å |
| 241 | R | 82.1 | Confident | 67 | Low | 140 Ų | 140 | 99.4 Ų | 99.4 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16 | -178.3 | -73.6 | -162 | 174 | -172.6 | -3.2 | 114.9 | N239 A262 C263 Y264 E285 | N239-R241 PolarHBondContact O-N 2.86Å; R241-A262 VanDerWaalsContact CZ-CB 3.48Å; R241-A262 VanDerWaalsContact NE-CB 3.35Å; R241-C263 PolarHBondContact N-O 3.47Å; R241-Y264 HydrophobicContact CB-CE1 3.92Å; R241-Y264 HydrophobicContact CB-CE2 4.29Å; R241-Y264 HydrophobicContact CG-CE2 4.39Å; R241-E285 IonicContact CZ-OE2 3.8Å; R241-E285 IonicContact NH1-OE2 3.04Å; R241-E285 PolarHBondContact NH1-OE2 3.38Å |
| 242 | V | 82 | Confident | 69.5 | Low | 88 Ų | 88 | 96.1 Ų | 96.1 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -50.1 | -177.5 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | C240 Y264 C268 | C240-V242 PolarHBondContact O-N 2.78Å; C240-V242 VanDerWaalsContact O-N 3.16Å; V242-Y264 HydrophobicContact CG2-CD1 3.62Å; V242-Y264 HydrophobicContact CG2-CE1 3.7Å; V242-C268 HydrophobicContact CB-CB 3.84Å; V242-C268 HydrophobicContact CG1-CB 4.12Å; V242-C268 HydrophobicContact CG2-CB 4.23Å |
| 243 | C | 88.1 | Confident | 72 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 34% | 0.338 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -15.6 | -179.7 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | C240 H245 H265 | C240-C243 VanDerWaalsContact CB-SG 3.5Å; C240-C243 VanDerWaalsContact SG-SG 3.63Å; C243-H245 PolarHBondContact O-CD2 3.37Å; C243-H245 PolarHBondContact O-N 3.03Å; C243-H265 VanDerWaalsContact SG-CE1 3.57Å; C243-H265 PolarHBondContact SG-ND1 2.73Å; C243-H265 VanDerWaalsContact SG-ND1 3.36Å |
| 244 | G | 79.5 | Confident | 74.2 | Confident | 45 Ų | 45 | 86 Ų | 86 | 46% | 0.464 | 46% | 0.457 | S | S | . | . | trans | 77.9 | -3.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C240 | C240-G244 WeakPolarHBondContact O-CA 3.39Å; C240-G244 PolarHBondContact O-N 2.95Å | ||
| 245 | H | 77.8 | Confident | 76.3 | Confident | 113 Ų | 113 | 79.8 Ų | 79.8 | 52% | 0.523 | 42% | 0.424 | S | S | . | . | trans | -98.8 | 147.9 | -179.3 | -56 | -65.3 | 0 | 0 | 0 | 111.6 | C240 C243 D247 H265 | C240-H245 WeakPolarHBondContact CB-O 3.41Å; C240-H245 PolarHBondContact N-O 3.3Å; C243-H245 PolarHBondContact O-CD2 3.37Å; C243-H245 PolarHBondContact O-N 3.03Å; H245-D247 WeakPolarHBondContact CB-OD1 3.46Å; H245-H265 PolarHBondContact O-CE1 2.85Å | ||
| 246 | G | 72.8 | Confident | 78 | Confident | 25 Ų | 25 | 77.2 Ų | 77.2 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | trans | -114.2 | 25.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 247 | D | 76.4 | Confident | 79.3 | Confident | 126 Ų | 126 | 71.7 Ų | 71.7 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | trans | -79.4 | -16.4 | -171.7 | 57.1 | -25.6 | 0 | 0 | 0 | 114.5 | H245 H265 | H245-D247 WeakPolarHBondContact CB-OD1 3.46Å; D247-H265 IonicContact OD1-CE1 2.76Å | ||
| 248 | D | 79.8 | Confident | 80 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 19% | 0.187 | 38% | 0.382 | C | S | . | . | trans | -118.9 | 68.9 | 177.2 | -175 | 8 | 0 | 0 | 0 | 111.7 | T250 N251 L252 H265 Y267 | D248-T250 PolarHBondContact O-N 2.92Å; D248-T250 VanDerWaalsContact O-N 3.08Å; D248-T250 PolarHBondContact OD1-OG1 3.44Å; D248-N251 PolarHBondContact O-N 2.9Å; D248-N251 VanDerWaalsContact O-N 3.11Å; D248-N251 PolarHBondContact OD1-N 3.45Å; D248-N251 PolarHBondContact OD1-ND2 2.92Å; D248-N251 WeakPolarHBondContact OD2-CB 3.2Å; D248-N251 PolarHBondContact OD2-ND2 3.34Å; D248-L252 PolarHBondContact O-N 3.47Å; D248-H265 PolarHBondContact O-CD2 3.07Å; D248-Y267 WeakPolarHBondContact OD2-CE1 3.38Å; D248-Y267 PolarHBondContact OD2-OH 3.5Å | ||
| 249 | E | 74.3 | Confident | 80.2 | Confident | 162 Ų | 162 | 71.4 Ų | 71.4 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -52.8 | -29.8 | 177.6 | -65.1 | -177.2 | 178.9 | 0 | 0 | 112.8 | N251 L252 | E249-N251 VanDerWaalsContact C-N 3.29Å; E249-N251 PolarHBondContact O-N 3.34Å; E249-L252 PolarHBondContact O-N 2.74Å |
| 250 | T | 79.8 | Confident | 79.9 | Confident | 105 Ų | 105 | 67.5 Ų | 67.5 | 64% | 0.644 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -69.3 | -26.4 | -177.6 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | D248 | D248-T250 PolarHBondContact O-N 2.92Å; D248-T250 VanDerWaalsContact O-N 3.08Å; D248-T250 PolarHBondContact OD1-OG1 3.44Å |
| 251 | N | 81.4 | Confident | 79.3 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -110.1 | 6.2 | 178 | -65.1 | -55.4 | 0 | 0 | 0 | 112.3 | D248 E249 H265 L266 Y267 | D248-N251 PolarHBondContact O-N 2.9Å; D248-N251 VanDerWaalsContact O-N 3.11Å; D248-N251 PolarHBondContact OD1-N 3.45Å; D248-N251 PolarHBondContact OD1-ND2 2.92Å; D248-N251 WeakPolarHBondContact OD2-CB 3.2Å; D248-N251 PolarHBondContact OD2-ND2 3.34Å; E249-N251 VanDerWaalsContact C-N 3.29Å; E249-N251 PolarHBondContact O-N 3.34Å; N251-H265 CarbonylContact O-C 3.55Å; N251-H265 VanDerWaalsContact O-CA 3.24Å; N251-H265 WeakPolarHBondContact O-CA 3.26Å; N251-L266 HydrophobicContact CB-CB 4.39Å; N251-L266 HydrophobicContact CB-CD1 4.17Å; N251-L266 HydrophobicContact CB-CG 4.35Å; N251-L266 WeakPolarHBondContact O-CG 3.44Å; N251-L266 PolarHBondContact O-N 2.93Å; N251-L266 WeakPolarHBondContact OD1-CD1 3.44Å; N251-Y267 HydrophobicContact CB-CD1 4.39Å; N251-Y267 HydrophobicContact CB-CE1 3.97Å |
| 252 | L | 84.5 | Confident | 79.4 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119.1 | -179.8 | -163.3 | 76.9 | 0 | 0 | 0 | 110.7 | Y238 C240 D248 E249 C263 | Y238-L252 WeakPolarHBondContact O-CD2 3.1Å; C240-L252 HydrophobicContact CB-CD1 3.91Å; D248-L252 PolarHBondContact O-N 3.47Å; E249-L252 PolarHBondContact O-N 2.74Å; L252-C263 HydrophobicContact CD1-CB 4.01Å; L252-C263 HydrophobicContact CD2-CB 4.1Å; L252-C263 HydrophobicContact CG-CB 4.06Å |
| 253 | L | 83.5 | Confident | 79.5 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 128.5 | 172.7 | -70.5 | 174.8 | 0 | 0 | 0 | 110.2 | C263 Y264 L266 L269 L273 I276 W281 | L253-C263 CarbonylContact O-C 3.59Å; L253-C263 VanDerWaalsContact O-CA 3.22Å; L253-C263 WeakPolarHBondContact O-CA 3.48Å; L253-Y264 PolarHBondContact N-O 3.22Å; L253-Y264 PolarHBondContact O-N 2.96Å; L253-L266 HydrophobicContact CD1-CD2 3.42Å; L253-L266 VanDerWaalsContact CD1-CD2 3.42Å; L253-L266 HydrophobicContact CD1-CG 4.35Å; L253-L266 HydrophobicContact CD2-CD2 4.31Å; L253-L266 HydrophobicContact CG-CD2 3.84Å; L253-L266 HydrophobicContact CG-CG 4.38Å; L253-L269 HydrophobicContact CD1-CD1 3.95Å; L253-L273 HydrophobicContact CD1-CD1 3.61Å; L253-I276 HydrophobicContact CD2-CB 4.37Å; L253-I276 HydrophobicContact CD2-CG1 4.23Å; L253-I276 HydrophobicContact CD2-CG2 3.86Å; L253-W281 HydrophobicContact CB-CD2 4.05Å; L253-W281 HydrophobicContact CB-CE3 3.66Å; L253-W281 HydrophobicContact CB-CH2 4.03Å; L253-W281 HydrophobicContact CB-CZ2 4.43Å; L253-W281 HydrophobicContact CB-CZ3 3.64Å; L253-W281 HydrophobicContact CD1-CD2 3.82Å; L253-W281 HydrophobicContact CD1-CE3 4.3Å; L253-W281 HydrophobicContact CD1-CG 4.1Å; L253-W281 HydrophobicContact CD1-CZ2 4.17Å; L253-W281 HydrophobicContact CG-CD2 4.45Å; L253-W281 HydrophobicContact CG-CE3 4.5Å |
| 254 | V | 83.7 | Confident | 79.5 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 137.3 | 170 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | Y238 D256 | Y238-V254 HydrophobicContact CD1-CG2 4.21Å; Y238-V254 HydrophobicContact CE1-CG1 4.14Å; Y238-V254 HydrophobicContact CE1-CG2 4.26Å; V254-D256 PolarHBondContact O-N 2.71Å |
| 255 | C | 85 | Confident | 79.9 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 128.9 | 177 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | T257 C260 A262 W281 C283 | C255-T257 PolarHBondContact O-N 3.27Å; C255-C260 HydrophobicContact CB-CB 4.46Å; C255-C260 WeakPolarHBondContact CB-O 3.27Å; C255-A262 HydrophobicContact CB-CB 4.48Å; C255-A262 PolarHBondContact N-O 3.33Å; C255-W281 HydrophobicContact CB-CZ3 4.22Å; C255-C283 HydrophobicContact CB-CB 3.94Å; C255-C283 PolarHBondContact SG-N 2.64Å |
| 256 | D | 80.5 | Confident | 80.3 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -77.9 | 29 | 177.9 | -66.6 | -37.4 | 0 | 0 | 0 | 113.7 | V254 Q280 W281 | V254-D256 PolarHBondContact O-N 2.71Å; D256-Q280 HydrophobicContact CB-CB 4.26Å; D256-Q280 HydrophobicContact CB-CG 4.41Å; D256-Q280 WeakPolarHBondContact OD2-CA 3.45Å; D256-W281 WeakPolarHBondContact CB-O 3.23Å; D256-W281 PolarHBondContact N-O 3.06Å; D256-W281 PolarHBondContact OD2-N 2.63Å |
| 257 | T | 77.1 | Confident | 81 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 17% | 0.172 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 120.7 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 107.3 | C255 S259 C260 K282 C286 | C255-T257 PolarHBondContact O-N 3.27Å; T257-S259 PolarHBondContact O-N 2.79Å; T257-C260 HydrophobicContact CG2-CB 4.17Å; T257-C260 CarbonylContact O-C 3.56Å; T257-C260 WeakPolarHBondContact O-CA 3.48Å; T257-C260 PolarHBondContact O-N 3.46Å; T257-K282 PolarHBondContact OG1-NZ 3.36Å; T257-C286 PolarHBondContact OG1-SG 3.45Å |
| 258 | D | 74.4 | Confident | 81.3 | Confident | 143 Ų | 143 | 52 Ų | 52 | 77% | 0.765 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26 | -171.2 | -60.2 | -20.2 | 0 | 0 | 0 | 114.7 | ||
| 259 | S | 72.3 | Confident | 81.2 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 72% | 0.72 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -10.2 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | T257 | T257-S259 PolarHBondContact O-N 2.79Š|
| 260 | C | 75.5 | Confident | 81 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 96.3 | -174.3 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | C255 T257 A262 C286 | C255-C260 HydrophobicContact CB-CB 4.46Å; C255-C260 WeakPolarHBondContact CB-O 3.27Å; T257-C260 HydrophobicContact CG2-CB 4.17Å; T257-C260 CarbonylContact O-C 3.56Å; T257-C260 WeakPolarHBondContact O-CA 3.48Å; T257-C260 PolarHBondContact O-N 3.46Å; C260-A262 PolarHBondContact O-N 3.37Å; C260-A262 VanDerWaalsContact SG-CB 3.57Å; C260-C286 WeakPolarHBondContact CB-SG 3.39Å; C260-C286 PolarHBondContact SG-SG 3.38Å |
| 261 | Q | 74.8 | Confident | 80.5 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 45% | 0.453 | 26% | 0.26 | S | S | . | . | trans | -86 | 30.6 | 174.7 | -62.2 | -173.4 | -31.9 | 0 | 0 | 112.7 | V233 C263 | V233-Q261 VanDerWaalsContact CG1-NE2 3.35Å; Q261-C263 PolarHBondContact O-N 3.13Å | ||
| 262 | A | 83.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -74.1 | 129 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R241 C255 C260 Y264 C283 | R241-A262 VanDerWaalsContact CZ-CB 3.48Å; R241-A262 VanDerWaalsContact NE-CB 3.35Å; C255-A262 HydrophobicContact CB-CB 4.48Å; C255-A262 PolarHBondContact N-O 3.33Å; C260-A262 PolarHBondContact O-N 3.37Å; C260-A262 VanDerWaalsContact SG-CB 3.57Å; A262-Y264 HydrophobicContact CB-CE2 3.78Å; A262-C283 HydrophobicContact CB-CB 4.18Å | ||
| 263 | C | 85.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 144.6 | 178.7 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | Y238 C240 R241 L252 L253 Q261 | Y238-C263 WeakPolarHBondContact CD1-SG 3.25Å; C240-C263 CarbonylContact C-O 3.57Å; C240-C263 VanDerWaalsContact CA-O 3.32Å; C240-C263 WeakPolarHBondContact CA-O 3.39Å; R241-C263 PolarHBondContact N-O 3.47Å; L252-C263 HydrophobicContact CD1-CB 4.01Å; L252-C263 HydrophobicContact CD2-CB 4.1Å; L252-C263 HydrophobicContact CG-CB 4.06Å; L253-C263 CarbonylContact O-C 3.59Å; L253-C263 VanDerWaalsContact O-CA 3.22Å; L253-C263 WeakPolarHBondContact O-CA 3.48Å; Q261-C263 PolarHBondContact O-N 3.13Å |
| 264 | Y | 86.5 | Confident | 79.2 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 136.5 | 178.7 | -66.8 | -101.7 | 0 | 0 | 0 | 110.2 | R241 V242 L253 A262 L269 W281 C283 E285 | R241-Y264 HydrophobicContact CB-CE1 3.92Å; R241-Y264 HydrophobicContact CB-CE2 4.29Å; R241-Y264 HydrophobicContact CG-CE2 4.39Å; V242-Y264 HydrophobicContact CG2-CD1 3.62Å; V242-Y264 HydrophobicContact CG2-CE1 3.7Å; L253-Y264 PolarHBondContact N-O 3.22Å; L253-Y264 PolarHBondContact O-N 2.96Å; A262-Y264 HydrophobicContact CB-CE2 3.78Å; Y264-L269 HydrophobicContact CD1-CD2 3.71Å; Y264-L269 HydrophobicContact CG-CD2 3.73Å; Y264-W281 AromaticContact CD2-CH2 3.62Å; Y264-W281 HydrophobicContact CD2-CH2 3.62Å; Y264-W281 HydrophobicContact CD2-CZ3 4.39Å; Y264-W281 HydrophobicContact CE2-CH2 4.46Å; Y264-W281 HydrophobicContact CG-CH2 4.07Å; Y264-C283 HydrophobicContact CD2-CB 3.95Å; Y264-C283 HydrophobicContact CE2-CB 3.42Å; Y264-C283 VanDerWaalsContact CE2-CB 3.42Å; Y264-E285 PolarHBondContact OH-OE1 3.31Å |
| 265 | H | 88.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 146.2 | 165.6 | -61.7 | 125 | 0 | 0 | 0 | 110.7 | C240 C243 H245 D247 D248 N251 Y267 C268 L269 | C240-H265 PolarHBondContact SG-N 3.15Å; C240-H265 VanDerWaalsContact SG-N 3.39Å; C243-H265 VanDerWaalsContact SG-CE1 3.57Å; C243-H265 PolarHBondContact SG-ND1 2.73Å; C243-H265 VanDerWaalsContact SG-ND1 3.36Å; H245-H265 PolarHBondContact O-CE1 2.85Å; D247-H265 IonicContact OD1-CE1 2.76Å; D248-H265 PolarHBondContact O-CD2 3.07Å; N251-H265 CarbonylContact O-C 3.55Å; N251-H265 VanDerWaalsContact O-CA 3.24Å; N251-H265 WeakPolarHBondContact O-CA 3.26Å; H265-Y267 HydrophobicContact CB-CD1 4.12Å; H265-Y267 HydrophobicContact CB-CD2 4.04Å; H265-Y267 HydrophobicContact CB-CE1 3.74Å; H265-Y267 HydrophobicContact CB-CE2 3.65Å; H265-Y267 HydrophobicContact CB-CG 4.27Å; H265-Y267 VanDerWaalsContact CB-CZ 3.49Å; H265-Y267 AromaticContact CG-CE2 3.96Å; H265-Y267 AromaticContact CG-CZ 3.58Å; H265-Y267 AromaticContact ND1-CE2 3.93Å; H265-Y267 AromaticContact ND1-CZ 3.8Å; H265-Y267 PolarHBondContact ND1-OH 3.42Å; H265-Y267 PolarHBondContact O-N 3.39Å; H265-Y267 VanDerWaalsContact O-N 3.12Å; H265-C268 HydrophobicContact CB-CB 3.89Å; H265-C268 WeakPolarHBondContact O-CA 3.04Å; H265-C268 WeakPolarHBondContact O-CB 3.25Å; H265-C268 PolarHBondContact O-N 3.35Å; H265-L269 PolarHBondContact O-N 2.89Å |
| 266 | L | 85.2 | Confident | 78.5 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -41.3 | 175 | -72.8 | 172.1 | 0 | 0 | 0 | 112.7 | N251 L253 P272 L273 I276 | N251-L266 HydrophobicContact CB-CB 4.39Å; N251-L266 HydrophobicContact CB-CD1 4.17Å; N251-L266 HydrophobicContact CB-CG 4.35Å; N251-L266 WeakPolarHBondContact O-CG 3.44Å; N251-L266 PolarHBondContact O-N 2.93Å; N251-L266 WeakPolarHBondContact OD1-CD1 3.44Å; L253-L266 HydrophobicContact CD1-CD2 3.42Å; L253-L266 VanDerWaalsContact CD1-CD2 3.42Å; L253-L266 HydrophobicContact CD1-CG 4.35Å; L253-L266 HydrophobicContact CD2-CD2 4.31Å; L253-L266 HydrophobicContact CG-CD2 3.84Å; L253-L266 HydrophobicContact CG-CG 4.38Å; L266-P272 CarbonylContact O-C 3.13Å; L266-P272 WeakPolarHBondContact O-CA 3.5Å; L266-L273 HydrophobicContact CB-CB 4.44Å; L266-L273 HydrophobicContact CD2-CB 3.6Å; L266-L273 HydrophobicContact CD2-CD1 4.16Å; L266-L273 PolarHBondContact O-N 3.05Å; L266-I276 HydrophobicContact CD1-CG1 4Å; L266-I276 HydrophobicContact CD2-CG1 4.41Å |
| 267 | Y | 87.7 | Confident | 77.9 | Confident | 116 Ų | 116 | 63 Ų | 63 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -14.4 | 179.5 | 53.6 | -98.9 | 0 | 0 | 0 | 114.7 | D248 N251 H265 L269 | D248-Y267 WeakPolarHBondContact OD2-CE1 3.38Å; D248-Y267 PolarHBondContact OD2-OH 3.5Å; N251-Y267 HydrophobicContact CB-CD1 4.39Å; N251-Y267 HydrophobicContact CB-CE1 3.97Å; H265-Y267 HydrophobicContact CB-CD1 4.12Å; H265-Y267 HydrophobicContact CB-CD2 4.04Å; H265-Y267 HydrophobicContact CB-CE1 3.74Å; H265-Y267 HydrophobicContact CB-CE2 3.65Å; H265-Y267 HydrophobicContact CB-CG 4.27Å; H265-Y267 VanDerWaalsContact CB-CZ 3.49Å; H265-Y267 AromaticContact CG-CE2 3.96Å; H265-Y267 AromaticContact CG-CZ 3.58Å; H265-Y267 AromaticContact ND1-CE2 3.93Å; H265-Y267 AromaticContact ND1-CZ 3.8Å; H265-Y267 PolarHBondContact ND1-OH 3.42Å; H265-Y267 PolarHBondContact O-N 3.39Å; H265-Y267 VanDerWaalsContact O-N 3.12Å; Y267-L269 VanDerWaalsContact C-N 3.29Å |
| 268 | C | 83.7 | Confident | 77.5 | Confident | 25 Ų | 25 | 72 Ų | 72 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.8 | 173.6 | -78.5 | 0 | 0 | 0 | 0 | 112.5 | V242 H265 | V242-C268 HydrophobicContact CB-CB 3.84Å; V242-C268 HydrophobicContact CG1-CB 4.12Å; V242-C268 HydrophobicContact CG2-CB 4.23Å; H265-C268 HydrophobicContact CB-CB 3.89Å; H265-C268 WeakPolarHBondContact O-CA 3.04Å; H265-C268 WeakPolarHBondContact O-CB 3.25Å; H265-C268 PolarHBondContact O-N 3.35Å |
| 269 | L | 77.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -75.1 | 149.2 | 173.9 | -65.6 | 168.1 | 0 | 0 | 0 | 110.6 | L253 Y264 H265 Y267 P271 P272 L273 W281 P284 | L253-L269 HydrophobicContact CD1-CD1 3.95Å; Y264-L269 HydrophobicContact CD1-CD2 3.71Å; Y264-L269 HydrophobicContact CG-CD2 3.73Å; H265-L269 PolarHBondContact O-N 2.89Å; Y267-L269 VanDerWaalsContact C-N 3.29Å; L269-P271 VanDerWaalsContact C-C 3.49Å; L269-P271 CarbonylContact C-O 3.53Å; L269-P271 CarbonylContact O-C 3.59Å; L269-P272 VanDerWaalsContact O-CA 3.27Å; L269-P272 WeakPolarHBondContact O-CA 3.31Å; L269-P272 VanDerWaalsContact O-CD 3.27Å; L269-P272 WeakPolarHBondContact O-CD 3.42Å; L269-P272 WeakPolarHBondContact O-CG 3.41Å; L269-L273 HydrophobicContact CD1-CB 4.38Å; L269-L273 HydrophobicContact CD1-CD1 3.46Å; L269-L273 VanDerWaalsContact CD1-CD1 3.46Å; L269-L273 HydrophobicContact CD1-CG 3.73Å; L269-W281 HydrophobicContact CD1-CZ2 3.65Å; L269-W281 HydrophobicContact CD2-CH2 4.27Å; L269-W281 HydrophobicContact CD2-CZ2 3.7Å; L269-W281 HydrophobicContact CG-CZ2 4.32Å; L269-P284 HydrophobicContact CD2-CG 3.97Å |
| 270 | D | 69.6 | Low | 77 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 73% | 0.733 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -119.3 | 108.4 | 171.9 | -174.3 | 17.6 | 0 | 0 | 0 | 109.2 | ||
| 271 | P | 69.8 | Low | 77.2 | Confident | 61 Ų | 61 | 69 Ų | 69 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | S | Bend | cis | -73.6 | 153.7 | -1.9 | 30.5 | -34.5 | 0 | 0 | 0 | 113.1 | L269 L273 | L269-P271 VanDerWaalsContact C-C 3.49Å; L269-P271 CarbonylContact C-O 3.53Å; L269-P271 CarbonylContact O-C 3.59Å; P271-L273 PolarHBondContact O-N 3.16Å |
| 272 | P | 74.1 | Confident | 77.4 | Confident | 80 Ų | 80 | 66 Ų | 66 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 131.5 | 174.9 | -30.1 | 37.3 | 0 | 0 | 0 | 112.7 | L266 L269 | L266-P272 CarbonylContact O-C 3.13Å; L266-P272 WeakPolarHBondContact O-CA 3.5Å; L269-P272 VanDerWaalsContact O-CA 3.27Å; L269-P272 WeakPolarHBondContact O-CA 3.31Å; L269-P272 VanDerWaalsContact O-CD 3.27Å; L269-P272 WeakPolarHBondContact O-CD 3.42Å; L269-P272 WeakPolarHBondContact O-CG 3.41Å |
| 273 | L | 74.6 | Confident | 77.4 | Confident | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 135.7 | 172 | -69 | -179.6 | 0 | 0 | 0 | 110 | L253 L266 L269 P271 P277 | L253-L273 HydrophobicContact CD1-CD1 3.61Å; L266-L273 HydrophobicContact CB-CB 4.44Å; L266-L273 HydrophobicContact CD2-CB 3.6Å; L266-L273 HydrophobicContact CD2-CD1 4.16Å; L266-L273 PolarHBondContact O-N 3.05Å; L269-L273 HydrophobicContact CD1-CB 4.38Å; L269-L273 HydrophobicContact CD1-CD1 3.46Å; L269-L273 VanDerWaalsContact CD1-CD1 3.46Å; L269-L273 HydrophobicContact CD1-CG 3.73Å; P271-L273 PolarHBondContact O-N 3.16Å; L273-P277 HydrophobicContact CD1-CG 3.96Å |
| 274 | R | 74 | Confident | 77 | Confident | 251 Ų | 251 | 68.8 Ų | 68.8 | 95% | 0.947 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -78.4 | -21.5 | -178.8 | -64.6 | -177.9 | -177.6 | -178.4 | 0.2 | 113.5 | ||
| 275 | S | 77.4 | Confident | 76.6 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -162.3 | 158.1 | -177.2 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | P277 | S275-P277 WeakPolarHBondContact O-CD 3.46Š|
| 276 | I | 75.3 | Confident | 76.2 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -56 | 124.9 | 171.8 | -59.1 | 177.3 | 0 | 0 | 0 | 109.3 | L253 L266 | L253-I276 HydrophobicContact CD2-CB 4.37Å; L253-I276 HydrophobicContact CD2-CG1 4.23Å; L253-I276 HydrophobicContact CD2-CG2 3.86Å; L266-I276 HydrophobicContact CD1-CG1 4Å; L266-I276 HydrophobicContact CD2-CG1 4.41Å | ||
| 277 | P | 69.2 | Low | 75.7 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 16% | 0.156 | 37% | 0.368 | C | S | . | . | trans | -58.8 | 143.8 | 177.2 | -25 | 35.3 | 0 | 0 | 0 | 112.1 | L273 S275 C279 W281 | L273-P277 HydrophobicContact CD1-CG 3.96Å; S275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-C279 VanDerWaalsContact C-N 3.26Å; P277-C279 PolarHBondContact O-N 3.3Å; P277-W281 HydrophobicContact CB-CB 4.43Å; P277-W281 HydrophobicContact CG-CB 4.1Å; P277-W281 HydrophobicContact CG-CG 4.13Å | ||
| 278 | K | 68.9 | Low | 75.1 | Confident | 217 Ų | 217 | 71.5 Ų | 71.5 | 94% | 0.943 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -76.8 | -14.3 | 177.3 | -65.7 | -176 | -179.3 | 178.8 | 0 | 113.6 | ||
| 279 | C | 64.7 | Low | 74.6 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 43% | 0.432 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -113.1 | 171.5 | -177.4 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | P277 W281 | P277-C279 VanDerWaalsContact C-N 3.26Å; P277-C279 PolarHBondContact O-N 3.3Å; C279-W281 PolarHBondContact O-N 3.34Å; C279-W281 VanDerWaalsContact O-N 3.14Å |
| 280 | Q | 71.1 | Confident | 74.4 | Confident | 127 Ų | 127 | 74.4 Ų | 74.4 | 59% | 0.593 | 38% | 0.382 | S | S | * | . | trans | -53 | 120.8 | 176.8 | -75.1 | 179.3 | -7.2 | 0 | 0 | 111 | D256 | D256-Q280 HydrophobicContact CB-CB 4.26Å; D256-Q280 HydrophobicContact CB-CG 4.41Å; D256-Q280 WeakPolarHBondContact OD2-CA 3.45Å | ||
| 281 | W | 80 | Confident | 74.5 | Confident | 8 Ų | 8 | 68 Ų | 68 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | trans | -98.3 | 138.7 | 178.7 | 179.4 | 77.9 | 0 | 0 | 0 | 110.3 | L253 C255 D256 Y264 L269 P277 C279 C283 | L253-W281 HydrophobicContact CB-CD2 4.05Å; L253-W281 HydrophobicContact CB-CE3 3.66Å; L253-W281 HydrophobicContact CB-CH2 4.03Å; L253-W281 HydrophobicContact CB-CZ2 4.43Å; L253-W281 HydrophobicContact CB-CZ3 3.64Å; L253-W281 HydrophobicContact CD1-CD2 3.82Å; L253-W281 HydrophobicContact CD1-CE3 4.3Å; L253-W281 HydrophobicContact CD1-CG 4.1Å; L253-W281 HydrophobicContact CD1-CZ2 4.17Å; L253-W281 HydrophobicContact CG-CD2 4.45Å; L253-W281 HydrophobicContact CG-CE3 4.5Å; C255-W281 HydrophobicContact CB-CZ3 4.22Å; D256-W281 WeakPolarHBondContact CB-O 3.23Å; D256-W281 PolarHBondContact N-O 3.06Å; D256-W281 PolarHBondContact OD2-N 2.63Å; Y264-W281 AromaticContact CD2-CH2 3.62Å; Y264-W281 HydrophobicContact CD2-CH2 3.62Å; Y264-W281 HydrophobicContact CD2-CZ3 4.39Å; Y264-W281 HydrophobicContact CE2-CH2 4.46Å; Y264-W281 HydrophobicContact CG-CH2 4.07Å; L269-W281 HydrophobicContact CD1-CZ2 3.65Å; L269-W281 HydrophobicContact CD2-CH2 4.27Å; L269-W281 HydrophobicContact CD2-CZ2 3.7Å; L269-W281 HydrophobicContact CG-CZ2 4.32Å; P277-W281 HydrophobicContact CB-CB 4.43Å; P277-W281 HydrophobicContact CG-CB 4.1Å; P277-W281 HydrophobicContact CG-CG 4.13Å; C279-W281 PolarHBondContact O-N 3.34Å; C279-W281 VanDerWaalsContact O-N 3.14Å; W281-C283 HydrophobicContact CH2-CB 3.87Å; W281-C283 HydrophobicContact CZ3-CB 4.23Å | ||
| 282 | K | 79 | Confident | 74.4 | Confident | 35 Ų | 35 | 68.1 Ų | 68.1 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | trans | -124.6 | 141.7 | 177.7 | -65 | -167.2 | 176.1 | -125.2 | 0 | 109.7 | L94 T257 C286 I287 I290 | L94-K282 HydrophobicContact CD2-CB 4.33Å; L94-K282 HydrophobicContact CD2-CD 4.05Å; L94-K282 HydrophobicContact CD2-CG 4.1Å; T257-K282 PolarHBondContact OG1-NZ 3.36Å; K282-C286 HydrophobicContact CB-CB 3.9Å; K282-C286 HydrophobicContact CD-CB 4.48Å; K282-I287 HydrophobicContact CB-CG1 3.93Å; K282-I287 WeakPolarHBondContact O-CD1 3.4Å; K282-I287 WeakPolarHBondContact O-CG1 3.4Å; K282-I290 HydrophobicContact CD-CD1 3.12Å; K282-I290 HydrophobicContact CG-CD1 4.48Å | ||
| 283 | C | 82.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -64.1 | 160.5 | 178.5 | 68.1 | 0 | 0 | 0 | 0 | 111.7 | C255 A262 Y264 W281 E285 C286 I287 | C255-C283 HydrophobicContact CB-CB 3.94Å; C255-C283 PolarHBondContact SG-N 2.64Å; A262-C283 HydrophobicContact CB-CB 4.18Å; Y264-C283 HydrophobicContact CD2-CB 3.95Å; Y264-C283 HydrophobicContact CE2-CB 3.42Å; Y264-C283 VanDerWaalsContact CE2-CB 3.42Å; W281-C283 HydrophobicContact CH2-CB 3.87Å; W281-C283 HydrophobicContact CZ3-CB 4.23Å; C283-E285 PolarHBondContact O-N 3.47Å; C283-E285 VanDerWaalsContact O-N 3.08Å; C283-C286 CarbonylContact O-C 3.54Å; C283-C286 PolarHBondContact O-N 3.17Å; C283-C286 PolarHBondContact SG-N 3.47Å; C283-C286 VanDerWaalsContact SG-N 3.38Å; C283-C286 VanDerWaalsContact SG-SG 3.62Å; C283-I287 WeakPolarHBondContact O-CG1 3.24Å; C283-I287 PolarHBondContact O-N 3.07Å | ||
| 284 | P | 76.5 | Confident | 72.8 | Confident | 60 Ų | 60 | 69 Ų | 69 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -51.4 | -35.6 | 178.6 | -28.8 | 35.9 | 0 | 0 | 0 | 113.9 | L269 R288 | L269-P284 HydrophobicContact CD2-CG 3.97Å; P284-R288 VanDerWaalsContact O-CB 3.29Å; P284-R288 WeakPolarHBondContact O-CB 3.37Å; P284-R288 PolarHBondContact O-N 3.24Å |
| 285 | E | 78.3 | Confident | 71.8 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 176 | -79.1 | 135.9 | -153 | 0 | 0 | 113 | R241 Y264 C283 A289 | R241-E285 IonicContact CZ-OE2 3.8Å; R241-E285 IonicContact NH1-OE2 3.04Å; R241-E285 PolarHBondContact NH1-OE2 3.38Å; Y264-E285 PolarHBondContact OH-OE1 3.31Å; C283-E285 PolarHBondContact O-N 3.47Å; C283-E285 VanDerWaalsContact O-N 3.08Å; E285-A289 WeakPolarHBondContact O-CB 3.31Å; E285-A289 PolarHBondContact O-N 3.43Å |
| 286 | C | 80.3 | Confident | 70.7 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.5 | -38.5 | 175.6 | -76.4 | 0 | 0 | 0 | 0 | 112.1 | T257 C260 K282 C283 R288 A289 I290 | T257-C286 PolarHBondContact OG1-SG 3.45Å; C260-C286 WeakPolarHBondContact CB-SG 3.39Å; C260-C286 PolarHBondContact SG-SG 3.38Å; K282-C286 HydrophobicContact CB-CB 3.9Å; K282-C286 HydrophobicContact CD-CB 4.48Å; C283-C286 CarbonylContact O-C 3.54Å; C283-C286 PolarHBondContact O-N 3.17Å; C283-C286 PolarHBondContact SG-N 3.47Å; C283-C286 VanDerWaalsContact SG-N 3.38Å; C283-C286 VanDerWaalsContact SG-SG 3.62Å; C286-R288 VanDerWaalsContact C-N 3.34Å; C286-A289 PolarHBondContact O-N 2.92Å; C286-I290 WeakPolarHBondContact O-CB 3.3Å; C286-I290 WeakPolarHBondContact O-CD1 3.48Å; C286-I290 VanDerWaalsContact O-CG1 3.24Å; C286-I290 WeakPolarHBondContact O-CG1 3.39Å; C286-I290 PolarHBondContact O-N 2.66Å |
| 287 | I | 75.9 | Confident | 69.6 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 172.5 | -66.4 | -179.7 | 0 | 0 | 0 | 109.3 | F91 L94 Q95 K282 C283 A289 I290 C291 | F91-I287 HydrophobicContact CD2-CG2 3.82Å; F91-I287 HydrophobicContact CE2-CG2 4.24Å; L94-I287 HydrophobicContact CB-CD1 4Å; L94-I287 HydrophobicContact CB-CG1 4.09Å; L94-I287 HydrophobicContact CD1-CG1 4.15Å; L94-I287 HydrophobicContact CD1-CG2 4.39Å; Q95-I287 VanDerWaalsContact NE2-CD1 3.3Å; K282-I287 HydrophobicContact CB-CG1 3.93Å; K282-I287 WeakPolarHBondContact O-CD1 3.4Å; K282-I287 WeakPolarHBondContact O-CG1 3.4Å; C283-I287 WeakPolarHBondContact O-CG1 3.24Å; C283-I287 PolarHBondContact O-N 3.07Å; I287-A289 VanDerWaalsContact C-N 3.35Å; I287-A289 PolarHBondContact O-N 3.31Å; I287-I290 PolarHBondContact O-N 2.83Å; I287-C291 VanDerWaalsContact O-CB 3.24Å; I287-C291 WeakPolarHBondContact O-CB 3.35Å; I287-C291 PolarHBondContact O-N 3.27Å; I287-C291 PolarHBondContact O-SG 3.38Å; I287-C291 VanDerWaalsContact O-SG 3.37Å |
| 288 | R | 75 | Confident | 69 | Low | 87 Ų | 87 | 59.4 Ų | 59.4 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175 | -172.4 | -178.9 | 67.8 | 160.6 | 1.3 | 110.9 | S170 P284 C286 I290 C292 | S170-R288 PolarHBondContact OG-NH1 3.44Å; P284-R288 VanDerWaalsContact O-CB 3.29Å; P284-R288 WeakPolarHBondContact O-CB 3.37Å; P284-R288 PolarHBondContact O-N 3.24Å; C286-R288 VanDerWaalsContact C-N 3.34Å; R288-I290 VanDerWaalsContact C-N 3.34Å; R288-I290 PolarHBondContact O-N 3.38Å; R288-C292 WeakPolarHBondContact O-CB 3.14Å; R288-C292 PolarHBondContact O-N 3.27Å; R288-C292 PolarHBondContact O-SG 3.42Å |
| 289 | A | 73.7 | Confident | 68.5 | Low | 45 Ų | 45 | 50 Ų | 50 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.2 | -49.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | E285 C286 I287 C292 H293 | E285-A289 WeakPolarHBondContact O-CB 3.31Å; E285-A289 PolarHBondContact O-N 3.43Å; C286-A289 PolarHBondContact O-N 2.92Å; I287-A289 VanDerWaalsContact C-N 3.35Å; I287-A289 PolarHBondContact O-N 3.31Å; A289-C292 CarbonylContact O-C 3.57Å; A289-C292 PolarHBondContact O-N 3.24Å; A289-H293 VanDerWaalsContact C-CD2 3.44Å; A289-H293 WeakPolarHBondContact O-CB 3.14Å; A289-H293 PolarHBondContact O-CD2 2.89Å; A289-H293 VanDerWaalsContact O-CG 3.27Å; A289-H293 PolarHBondContact O-N 3.21Å |
| 290 | I | 72.7 | Confident | 68.6 | Low | 54 Ų | 54 | 48 Ų | 48 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.3 | -44.5 | -177.8 | -68.5 | 164 | 0 | 0 | 0 | 112.4 | L94 K282 C286 I287 R288 C292 H293 | L94-I290 HydrophobicContact CD1-CB 4.48Å; L94-I290 HydrophobicContact CD1-CD1 4.46Å; L94-I290 HydrophobicContact CD1-CG2 4.12Å; K282-I290 HydrophobicContact CD-CD1 3.12Å; K282-I290 HydrophobicContact CG-CD1 4.48Å; C286-I290 WeakPolarHBondContact O-CB 3.3Å; C286-I290 WeakPolarHBondContact O-CD1 3.48Å; C286-I290 VanDerWaalsContact O-CG1 3.24Å; C286-I290 WeakPolarHBondContact O-CG1 3.39Å; C286-I290 PolarHBondContact O-N 2.66Å; I287-I290 PolarHBondContact O-N 2.83Å; R288-I290 VanDerWaalsContact C-N 3.34Å; R288-I290 PolarHBondContact O-N 3.38Å; I290-C292 VanDerWaalsContact C-N 3.29Å; I290-C292 PolarHBondContact O-N 3.43Å; I290-H293 WeakPolarHBondContact O-CB 3.36Å; I290-H293 PolarHBondContact O-N 2.96Å |
| 291 | C | 70.8 | Confident | 68.6 | Low | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.1 | -18.8 | 179.8 | -67 | 0 | 0 | 0 | 0 | 112.8 | R87 I287 | R87-C291 PolarHBondContact NE-O 2.91Å; R87-C291 PolarHBondContact NH2-O 3.47Å; I287-C291 VanDerWaalsContact O-CB 3.24Å; I287-C291 WeakPolarHBondContact O-CB 3.35Å; I287-C291 PolarHBondContact O-N 3.27Å; I287-C291 PolarHBondContact O-SG 3.38Å; I287-C291 VanDerWaalsContact O-SG 3.37Å |
| 292 | C | 67.4 | Low | 68.4 | Low | 63 Ų | 63 | 46 Ų | 46 | 43% | 0.426 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -98.2 | -7.9 | 170.5 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | R288 A289 I290 | R288-C292 WeakPolarHBondContact O-CB 3.14Å; R288-C292 PolarHBondContact O-N 3.27Å; R288-C292 PolarHBondContact O-SG 3.42Å; A289-C292 CarbonylContact O-C 3.57Å; A289-C292 PolarHBondContact O-N 3.24Å; I290-C292 VanDerWaalsContact C-N 3.29Å; I290-C292 PolarHBondContact O-N 3.43Å |
| 293 | H | 61.6 | Low | 68.4 | Low | 72 Ų | 72 | 45 Ų | 45 | 33% | 0.333 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -67 | 131.7 | 171.9 | -96.6 | -72.2 | 0 | 0 | 0 | 108.1 | R188 A289 I290 V295 | R188-H293 PolarHBondContact NH2-CE1 3.29Å; R188-H293 PolarHBondContact NH2-ND1 2.95Å; A289-H293 VanDerWaalsContact C-CD2 3.44Å; A289-H293 WeakPolarHBondContact O-CB 3.14Å; A289-H293 PolarHBondContact O-CD2 2.89Å; A289-H293 VanDerWaalsContact O-CG 3.27Å; A289-H293 PolarHBondContact O-N 3.21Å; I290-H293 WeakPolarHBondContact O-CB 3.36Å; I290-H293 PolarHBondContact O-N 2.96Å; H293-V295 PolarHBondContact O-N 3.42Å |
| 294 | P | 53.5 | Low | 68.1 | Low | 53 Ų | 53 | 50.6 Ų | 50.6 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | trans | -56.5 | 140.9 | 169.9 | 7.7 | -5.4 | 0 | 0 | 0 | 108.4 | D296 | P294-D296 PolarHBondContact O-N 2.93Š| ||
| 295 | V | 55 | Low | 68.4 | Low | 48 Ų | 48 | 52.9 Ų | 52.9 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | trans | -67.3 | 107.3 | 174 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | H293 | H293-V295 PolarHBondContact O-N 3.42Š| ||
| 296 | D | 53.7 | Low | 68.8 | Low | 90 Ų | 90 | 52.3 Ų | 52.3 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | trans | -63.4 | 138.2 | 166.6 | -48.8 | -82.9 | 0 | 0 | 0 | 107.6 | R190 P294 | R190-D296 IonicContact CZ-OD1 3.84Å; R190-D296 IonicContact CZ-OD2 3.72Å; R190-D296 IonicContact NH1-OD1 2.77Å; R190-D296 PolarHBondContact NH1-OD1 3.48Å; R190-D296 VanDerWaalsContact NH1-OD1 3.09Å; R190-D296 IonicContact NH1-OD2 3.85Å; R190-D296 IonicContact NH2-OD1 3.63Å; R190-D296 PolarHBondContact NH2-OD1 3.39Å; R190-D296 VanDerWaalsContact NH2-OD1 3.16Å; R190-D296 IonicContact NH2-OD2 2.73Å; R190-D296 PolarHBondContact NH2-OD2 2.9Å; P294-D296 PolarHBondContact O-N 2.93Å | ||
| 297 | V | 52.7 | Low | 69.2 | Low | 71 Ų | 71 | 52.7 Ų | 52.7 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | cis | -145.4 | 140.3 | 8.6 | 174.4 | 0 | 0 | 0 | 0 | 106.3 | A218 G299 | A218-V297 HydrophobicContact CB-CG1 3.46Å; A218-V297 VanDerWaalsContact CB-CG1 3.46Å; V297-G299 PolarHBondContact O-N 2.85Å | ||
| 298 | Y | 56 | Low | 69.9 | Low | 44 Ų | 44 | 53.2 Ų | 53.2 | 17% | 0.173 | 30% | 0.302 | C | S | . | . | trans | -71.4 | 124.6 | 172.2 | -67.4 | -88.6 | 0 | 0 | 0 | 110.4 | A481 L484 H487 | Y298-A481 HydrophobicContact CE2-CB 3.8Å; Y298-L484 HydrophobicContact CD1-CD1 3.98Å; Y298-L484 HydrophobicContact CE1-CD1 3.45Å; Y298-L484 VanDerWaalsContact CE1-CD1 3.45Å; Y298-L484 HydrophobicContact CE2-CD1 4.33Å; Y298-H487 AromaticContact CD2-CE1 4Å; Y298-H487 AromaticContact CD2-ND1 3.49Å; Y298-H487 WeakPolarHBondContact CD2-ND1 3.02Å; Y298-H487 AromaticContact CG-ND1 3.69Å | ||
| 299 | G | 58 | Low | 70.6 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | trans | 171.9 | 164.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A218 V297 | A218-G299 WeakPolarHBondContact O-CA 3.2Å; V297-G299 PolarHBondContact O-N 2.85Å | ||
| 300 | F | 66.2 | Low | 71.5 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.096 | 29% | 0.289 | C | S | . | . | trans | -105.8 | 127.5 | 172 | -64.4 | -61.4 | 0 | 0 | 0 | 109.2 | R67 I68 Q69 L74 Y355 | R67-F300 HydrophobicContact CB-CB 4.29Å; I68-F300 WeakPolarHBondContact O-CB 3.15Å; Q69-F300 HydrophobicContact CB-CD1 4.38Å; Q69-F300 HydrophobicContact CB-CE1 4.38Å; Q69-F300 HydrophobicContact CG-CD1 3.74Å; Q69-F300 HydrophobicContact CG-CD2 4.45Å; Q69-F300 HydrophobicContact CG-CE1 3.82Å; Q69-F300 HydrophobicContact CG-CE2 4.5Å; Q69-F300 HydrophobicContact CG-CG 4.08Å; Q69-F300 HydrophobicContact CG-CZ 4.21Å; L74-F300 HydrophobicContact CD2-CE1 3.29Å; L74-F300 HydrophobicContact CD2-CZ 3.25Å; F300-Y355 HydrophobicContact CD2-CE1 4.39Å; F300-Y355 WeakPolarHBondContact CD2-OH 3.48Å; F300-Y355 HydrophobicContact CG-CE1 4.44Å | ||
| 301 | P | 72.4 | Confident | 72.5 | Confident | 40 Ų | 40 | 54 Ų | 54 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 145.8 | 177.1 | 22.8 | -27.7 | 0 | 0 | 0 | 110.5 | R67 I68 | R67-P301 CarbonylContact C-O 3.12Å; R67-P301 WeakPolarHBondContact CA-O 3.34Å; I68-P301 HydrophobicContact CB-CG 4.22Å; I68-P301 PolarHBondContact N-O 3.45Å |
| 302 | Q | 74.5 | Confident | 73.6 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 146.5 | 169.7 | -70.9 | -175.3 | 0.2 | 0 | 0 | 109.6 | T65 R67 V219 | T65-Q302 HydrophobicContact CG2-CB 4.47Å; R67-Q302 HydrophobicContact CG-CG 4.28Å; V219-Q302 HydrophobicContact CG1-CG 4.19Å; V219-Q302 HydrophobicContact CG2-CG 4.03Å |
| 303 | S | 79.6 | Confident | 74.8 | Confident | 13 Ų | 13 | 51 Ų | 51 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 146.3 | 171.1 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | T65 P66 K305 | T65-S303 WeakPolarHBondContact CG2-O 3.41Å; P66-S303 VanDerWaalsContact O-CB 3.31Å; P66-S303 WeakPolarHBondContact O-CB 3.3Å; P66-S303 PolarHBondContact O-N 3.39Å; S303-K305 PolarHBondContact O-N 3.18Å; S303-K305 PolarHBondContact OG-N 2.98Å |
| 304 | S | 77.5 | Confident | 76.4 | Confident | 118 Ų | 118 | 52 Ų | 52 | 83% | 0.825 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -71.6 | -11.1 | 170.5 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 305 | K | 82.4 | Confident | 78.3 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 47% | 0.47 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -109.9 | 124.6 | -177.4 | -177.1 | 176.1 | 171.3 | -164.3 | 0 | 111.2 | P66 S303 Y307 | P66-K305 VanDerWaalsContact CD-O 3.27Å; P66-K305 WeakPolarHBondContact CD-O 3.49Å; S303-K305 PolarHBondContact O-N 3.18Å; S303-K305 PolarHBondContact OG-N 2.98Å; K305-Y307 HydrophobicContact CB-CE2 4.17Å; K305-Y307 HydrophobicContact CD-CE1 4.09Å; K305-Y307 HydrophobicContact CD-CE2 3.88Å; K305-Y307 HydrophobicContact CG-CD2 4.26Å; K305-Y307 HydrophobicContact CG-CE2 3.91Å; K305-Y307 VanDerWaalsContact NZ-CE1 3.26Å; K305-Y307 PolarHBondContact NZ-OH 3.49Å |
| 306 | T | 87 | Confident | 80.2 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | trans | -80.8 | 140.9 | 166.7 | -50.8 | 0 | 0 | 0 | 0 | 109.8 | F64 T65 | F64-T306 WeakPolarHBondContact O-CG2 3.15Å; T65-T306 PolarHBondContact OG1-OG1 3.31Å; T65-T306 VanDerWaalsContact OG1-OG1 3.14Å | ||
| 307 | Y | 87.9 | Confident | 82.2 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 9% | 0.086 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.4 | 176.5 | -72.7 | -95.5 | 0 | 0 | 0 | 110.4 | S63 F64 P66 K305 E311 F312 E354 | S63-Y307 WeakPolarHBondContact CA-O 3.23Å; F64-Y307 PolarHBondContact N-O 2.88Å; F64-Y307 PolarHBondContact O-N 2.88Å; P66-Y307 HydrophobicContact CG-CD2 3.63Å; P66-Y307 HydrophobicContact CG-CE2 3.89Å; K305-Y307 HydrophobicContact CB-CE2 4.17Å; K305-Y307 HydrophobicContact CD-CE1 4.09Å; K305-Y307 HydrophobicContact CD-CE2 3.88Å; K305-Y307 HydrophobicContact CG-CD2 4.26Å; K305-Y307 HydrophobicContact CG-CE2 3.91Å; K305-Y307 VanDerWaalsContact NZ-CE1 3.26Å; K305-Y307 PolarHBondContact NZ-OH 3.49Å; Y307-E311 HydrophobicContact CD1-CB 3.93Å; Y307-F312 HydrophobicContact CG-CB 4.45Å; Y307-F312 HydrophobicContact CG-CD2 4.45Å; Y307-E354 WeakPolarHBondContact CE2-OE2 3.48Å |
| 308 | S | 90.9 | Very high | 84.3 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 156.1 | 154.4 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | F62 Q310 E311 F312 | F62-S308 CarbonylContact O-C 3.45Å; F62-S308 VanDerWaalsContact O-CA 3.27Å; F62-S308 WeakPolarHBondContact O-CA 3.45Å; S308-Q310 PolarHBondContact O-N 2.96Å; S308-E311 WeakPolarHBondContact CB-OE2 3.35Å; S308-E311 PolarHBondContact N-OE2 2.81Å; S308-E311 PolarHBondContact O-N 3.34Å; S308-E311 VanDerWaalsContact O-N 3.14Å; S308-E311 WeakPolarHBondContact OG-CB 3.41Å; S308-E311 WeakPolarHBondContact OG-CG 3.15Å; S308-E311 PolarHBondContact OG-N 2.86Å; S308-E311 PolarHBondContact OG-OE2 2.82Å; S308-F312 PolarHBondContact O-N 3.07Å |
| 309 | L | 90.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -36 | 175.7 | -167.1 | 57.7 | 0 | 0 | 0 | 111.9 | F55 M59 F62 F64 G313 V425 W449 F530 F532 | F55-L309 HydrophobicContact CE1-CD2 4.33Å; F55-L309 HydrophobicContact CZ-CD2 4.2Å; M59-L309 HydrophobicContact CB-CB 4.32Å; M59-L309 HydrophobicContact CE-CG 4.36Å; M59-L309 HydrophobicContact CG-CD2 4.24Å; M59-L309 WeakPolarHBondContact O-CB 3.38Å; M59-L309 PolarHBondContact O-N 3.4Å; F62-L309 HydrophobicContact CB-CB 4.38Å; F62-L309 HydrophobicContact CD1-CB 4.09Å; F62-L309 HydrophobicContact CD1-CD2 4.42Å; F62-L309 PolarHBondContact O-N 3.09Å; F64-L309 HydrophobicContact CE1-CD1 4.23Å; L309-G313 PolarHBondContact O-N 2.95Å; L309-V425 HydrophobicContact CD1-CB 4.3Å; L309-V425 HydrophobicContact CD1-CG1 3.48Å; L309-V425 VanDerWaalsContact CD1-CG1 3.48Å; L309-V425 HydrophobicContact CD1-CG2 3.79Å; L309-W449 HydrophobicContact CD1-CH2 4.48Å; L309-W449 HydrophobicContact CD1-CZ2 4.48Å; L309-W449 HydrophobicContact CD2-CH2 4.4Å; L309-W449 HydrophobicContact CD2-CZ2 3.73Å; L309-W449 HydrophobicContact CG-CH2 4.32Å; L309-W449 HydrophobicContact CG-CZ2 4.13Å; L309-F530 HydrophobicContact CD1-CE2 4.01Å; L309-F530 HydrophobicContact CD1-CZ 4.03Å; L309-F530 HydrophobicContact CG-CZ 4.22Å; L309-F530 VanDerWaalsContact O-CZ 3.26Å; L309-F530 WeakPolarHBondContact O-CZ 3.35Å; L309-F532 HydrophobicContact CD1-CD2 4.17Å; L309-F532 HydrophobicContact CD2-CD2 3.9Å; L309-F532 HydrophobicContact CD2-CE2 4.3Å |
| 310 | Q | 91.6 | Very high | 88 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 175 | -176.5 | 171.2 | 14 | 0 | 0 | 112.7 | M59 K60 S308 F312 G313 V314 | M59-Q310 HydrophobicContact CB-CB 4.49Å; M59-Q310 PolarHBondContact O-N 2.94Å; M59-Q310 VanDerWaalsContact O-N 3.09Å; K60-Q310 VanDerWaalsContact CG-OE1 3.25Å; S308-Q310 PolarHBondContact O-N 2.96Å; Q310-F312 VanDerWaalsContact C-N 3.34Å; Q310-G313 PolarHBondContact O-N 3.47Å; Q310-V314 PolarHBondContact O-N 3.15Å |
| 311 | E | 93.5 | Very high | 89.3 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 179.9 | -70.6 | 163.5 | 140.7 | 0 | 0 | 111.9 | Y307 S308 G313 V314 M315 | Y307-E311 HydrophobicContact CD1-CB 3.93Å; S308-E311 WeakPolarHBondContact CB-OE2 3.35Å; S308-E311 PolarHBondContact N-OE2 2.81Å; S308-E311 PolarHBondContact O-N 3.34Å; S308-E311 VanDerWaalsContact O-N 3.14Å; S308-E311 WeakPolarHBondContact OG-CB 3.41Å; S308-E311 WeakPolarHBondContact OG-CG 3.15Å; S308-E311 PolarHBondContact OG-N 2.86Å; S308-E311 PolarHBondContact OG-OE2 2.82Å; E311-G313 VanDerWaalsContact C-N 3.32Å; E311-G313 PolarHBondContact O-N 3.48Å; E311-V314 PolarHBondContact O-N 3.1Å; E311-M315 PolarHBondContact O-N 2.74Å; E311-M315 VanDerWaalsContact O-N 3.16Å |
| 312 | F | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.5 | -173 | -89.2 | 0 | 0 | 0 | 111.4 | F64 P66 Y307 S308 Q310 V314 M315 A316 E354 V425 M427 F530 | F64-F312 HydrophobicContact CE1-CB 4.28Å; F64-F312 HydrophobicContact CE1-CG 4.44Å; F64-F312 HydrophobicContact CE2-CD2 4.26Å; F64-F312 HydrophobicContact CE2-CE2 4.45Å; F64-F312 HydrophobicContact CZ-CB 4.01Å; F64-F312 HydrophobicContact CZ-CD1 4.23Å; F64-F312 AromaticContact CZ-CD2 3.73Å; F64-F312 HydrophobicContact CZ-CD2 3.73Å; F64-F312 HydrophobicContact CZ-CE2 4.24Å; F64-F312 AromaticContact CZ-CG 3.71Å; F64-F312 HydrophobicContact CZ-CG 3.71Å; P66-F312 HydrophobicContact CB-CE2 4.2Å; Y307-F312 HydrophobicContact CG-CB 4.45Å; Y307-F312 HydrophobicContact CG-CD2 4.45Å; S308-F312 PolarHBondContact O-N 3.07Å; Q310-F312 VanDerWaalsContact C-N 3.34Å; F312-V314 PolarHBondContact O-N 2.88Å; F312-M315 HydrophobicContact CD2-CE 3.61Å; F312-M315 HydrophobicContact CE2-CE 3.46Å; F312-M315 VanDerWaalsContact CE2-CE 3.46Å; F312-M315 HydrophobicContact CG-CE 4.27Å; F312-M315 HydrophobicContact CZ-CE 4.01Å; F312-M315 WeakPolarHBondContact O-CB 3.26Å; F312-M315 PolarHBondContact O-N 3.4Å; F312-A316 HydrophobicContact CE1-CB 4.38Å; F312-A316 WeakPolarHBondContact O-CB 3.34Å; F312-A316 PolarHBondContact O-N 3.28Å; F312-E354 HydrophobicContact CE2-CB 3.86Å; F312-E354 HydrophobicContact CZ-CB 4.44Å; F312-E354 WeakPolarHBondContact CZ-O 3.45Å; F312-V425 HydrophobicContact CD1-CG1 3.68Å; F312-V425 HydrophobicContact CE1-CG1 3.76Å; F312-V425 HydrophobicContact CG-CG1 4.42Å; F312-M427 HydrophobicContact CE1-CB 3.97Å; F312-M427 HydrophobicContact CZ-CB 4Å; F312-M427 HydrophobicContact CZ-CG 4.33Å; F312-M427 HydrophobicContact CZ-SD 4.32Å; F312-F530 AromaticContact CD1-CD2 3.89Å; F312-F530 HydrophobicContact CD1-CD2 3.89Å; F312-F530 AromaticContact CD1-CE2 3.67Å; F312-F530 HydrophobicContact CD1-CE2 3.67Å; F312-F530 HydrophobicContact CE1-CD2 4.18Å; F312-F530 HydrophobicContact CE1-CE2 4.32Å |
| 313 | G | 93.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L309 Q310 E311 M315 A316 D317 F530 | L309-G313 PolarHBondContact O-N 2.95Å; Q310-G313 PolarHBondContact O-N 3.47Å; E311-G313 VanDerWaalsContact C-N 3.32Å; E311-G313 PolarHBondContact O-N 3.48Å; G313-M315 VanDerWaalsContact C-N 3.3Å; G313-M315 PolarHBondContact O-N 3.35Å; G313-A316 PolarHBondContact O-N 3.04Å; G313-D317 WeakPolarHBondContact O-CB 3.19Å; G313-D317 PolarHBondContact O-N 3.5Å; G313-F530 VanDerWaalsContact CA-CD1 3.47Å |
| 314 | V | 94.2 | Very high | 92 | Very high | 93 Ų | 93 | 55 Ų | 55 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.8 | -43.3 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 111 | Q310 E311 F312 Q318 | Q310-V314 PolarHBondContact O-N 3.15Å; E311-V314 PolarHBondContact O-N 3.1Å; F312-V314 PolarHBondContact O-N 2.88Å; V314-Q318 VanDerWaalsContact O-CB 3.26Å; V314-Q318 WeakPolarHBondContact O-CB 3.44Å; V314-Q318 PolarHBondContact O-N 3.39Å; V314-Q318 VanDerWaalsContact O-N 3.08Å |
| 315 | M | 94.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 20% | 0.197 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.9 | 178.7 | -78.9 | -70.7 | 0 | 0 | 111.5 | E311 F312 G313 Q318 F319 E354 M427 | E311-M315 PolarHBondContact O-N 2.74Å; E311-M315 VanDerWaalsContact O-N 3.16Å; F312-M315 HydrophobicContact CD2-CE 3.61Å; F312-M315 HydrophobicContact CE2-CE 3.46Å; F312-M315 VanDerWaalsContact CE2-CE 3.46Å; F312-M315 HydrophobicContact CG-CE 4.27Å; F312-M315 HydrophobicContact CZ-CE 4.01Å; F312-M315 WeakPolarHBondContact O-CB 3.26Å; F312-M315 PolarHBondContact O-N 3.4Å; G313-M315 VanDerWaalsContact C-N 3.3Å; G313-M315 PolarHBondContact O-N 3.35Å; M315-Q318 PolarHBondContact O-N 2.97Å; M315-F319 WeakPolarHBondContact O-CB 3.15Å; M315-F319 PolarHBondContact O-N 3Å; M315-E354 HydrophobicContact CE-CB 4.1Å; M315-M427 HydrophobicContact CE-SD 4.01Å; M315-M427 HydrophobicContact SD-CE 3.99Å; M315-M427 HydrophobicContact SD-SD 4.19Å |
| 316 | A | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F312 G313 F319 K320 M427 F530 | F312-A316 HydrophobicContact CE1-CB 4.38Å; F312-A316 WeakPolarHBondContact O-CB 3.34Å; F312-A316 PolarHBondContact O-N 3.28Å; G313-A316 PolarHBondContact O-N 3.04Å; A316-F319 PolarHBondContact O-N 2.54Å; A316-K320 PolarHBondContact O-N 2.91Å; A316-M427 HydrophobicContact CB-CB 3.59Å; A316-F530 HydrophobicContact CB-CB 3.95Å; A316-F530 HydrophobicContact CB-CD2 4.36Å; A316-F530 HydrophobicContact CB-CG 4.35Å |
| 317 | D | 95.1 | Very high | 93.3 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 178.8 | -74.8 | -19.4 | 0 | 0 | 0 | 111.6 | G313 F319 K320 S321 | G313-D317 WeakPolarHBondContact O-CB 3.19Å; G313-D317 PolarHBondContact O-N 3.5Å; D317-F319 VanDerWaalsContact C-N 3.35Å; D317-K320 PolarHBondContact O-N 2.92Å; D317-S321 WeakPolarHBondContact O-CB 3.26Å; D317-S321 PolarHBondContact O-N 3.18Å |
| 318 | Q | 95.5 | Very high | 93.3 | Very high | 131 Ų | 131 | 57.9 Ų | 57.9 | 61% | 0.612 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 176 | -175.3 | 175.5 | 3.3 | 0 | 0 | 111.3 | V314 M315 T322 | V314-Q318 VanDerWaalsContact O-CB 3.26Å; V314-Q318 WeakPolarHBondContact O-CB 3.44Å; V314-Q318 PolarHBondContact O-N 3.39Å; V314-Q318 VanDerWaalsContact O-N 3.08Å; M315-Q318 PolarHBondContact O-N 2.97Å; Q318-T322 VanDerWaalsContact O-CB 3.27Å; Q318-T322 WeakPolarHBondContact O-CB 3.26Å; Q318-T322 PolarHBondContact O-N 3.42Å; Q318-T322 PolarHBondContact O-OG1 3.24Å |
| 319 | F | 95.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 25% | 0.25 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -52.6 | 175.6 | 179.4 | -84 | 0 | 0 | 0 | 110.9 | M315 A316 D317 S321 T322 Y323 V351 V353 M427 V428 F429 | M315-F319 WeakPolarHBondContact O-CB 3.15Å; M315-F319 PolarHBondContact O-N 3Å; A316-F319 PolarHBondContact O-N 2.54Å; D317-F319 VanDerWaalsContact C-N 3.35Å; F319-S321 PolarHBondContact O-N 2.96Å; F319-T322 PolarHBondContact O-N 3.47Å; F319-Y323 HydrophobicContact CE1-CD2 4.48Å; F319-Y323 HydrophobicContact CZ-CD2 4.43Å; F319-Y323 WeakPolarHBondContact O-CB 3.07Å; F319-Y323 PolarHBondContact O-N 2.9Å; F319-V351 HydrophobicContact CZ-CG1 4.1Å; F319-V353 HydrophobicContact CE1-CG1 4.3Å; F319-V353 HydrophobicContact CZ-CG1 4.1Å; F319-M427 HydrophobicContact CB-CE 3.83Å; F319-M427 HydrophobicContact CD1-CE 3.57Å; F319-M427 HydrophobicContact CD2-CE 4.09Å; F319-M427 HydrophobicContact CE1-CE 4.12Å; F319-M427 HydrophobicContact CG-CE 3.56Å; F319-V428 HydrophobicContact CD1-CG1 3.42Å; F319-V428 VanDerWaalsContact CD1-CG1 3.42Å; F319-V428 HydrophobicContact CE1-CG1 3.69Å; F319-F429 HydrophobicContact CE1-CD2 4.14Å; F319-F429 HydrophobicContact CE1-CE2 4.34Å |
| 320 | K | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | -179.5 | -175 | 172 | 173.8 | 175.7 | 0 | 111.9 | A316 D317 T322 Y323 F324 C328 V428 E451 Q528 | A316-K320 PolarHBondContact O-N 2.91Å; D317-K320 PolarHBondContact O-N 2.92Å; K320-T322 VanDerWaalsContact C-N 3.34Å; K320-T322 PolarHBondContact O-N 3.16Å; K320-Y323 PolarHBondContact O-N 2.83Å; K320-F324 HydrophobicContact CG-CD2 4.04Å; K320-F324 HydrophobicContact CG-CE2 4.41Å; K320-F324 WeakPolarHBondContact O-CD2 3.39Å; K320-F324 PolarHBondContact O-N 3.42Å; K320-F324 VanDerWaalsContact O-N 3.09Å; K320-C328 HydrophobicContact CB-CB 4.25Å; K320-C328 HydrophobicContact CD-CB 3.92Å; K320-C328 WeakPolarHBondContact CE-O 3.34Å; K320-C328 HydrophobicContact CG-CB 4.16Å; K320-C328 PolarHBondContact NZ-O 3.49Å; K320-V428 HydrophobicContact CB-CB 4.22Å; K320-V428 HydrophobicContact CB-CG1 3.77Å; K320-V428 HydrophobicContact CD-CB 4.09Å; K320-V428 HydrophobicContact CD-CG2 4.19Å; K320-V428 HydrophobicContact CG-CB 4.22Å; K320-V428 HydrophobicContact CG-CG1 4.19Å; K320-V428 HydrophobicContact CG-CG2 4.26Å; K320-E451 VanDerWaalsContact CD-OE2 3.32Å; K320-E451 WeakPolarHBondContact CD-OE2 3.31Å; K320-E451 IonicContact NZ-OE1 3.99Å; K320-E451 PolarHBondContact NZ-OE1 2.97Å; K320-E451 IonicContact NZ-OE2 2.91Å; K320-E451 PolarHBondContact NZ-OE2 3.34Å; K320-Q528 WeakPolarHBondContact CE-O 3.28Å; K320-Q528 PolarHBondContact NZ-O 2.81Å |
| 321 | S | 94.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | -178.7 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | D317 F319 K325 R326 | D317-S321 WeakPolarHBondContact O-CB 3.26Å; D317-S321 PolarHBondContact O-N 3.18Å; F319-S321 PolarHBondContact O-N 2.96Å; S321-K325 VanDerWaalsContact O-CA 3.29Å; S321-K325 WeakPolarHBondContact O-CA 3.24Å; S321-K325 PolarHBondContact O-N 3.33Å; S321-R326 WeakPolarHBondContact CA-O 3.46Å; S321-R326 WeakPolarHBondContact CB-O 3.24Å; S321-R326 PolarHBondContact O-N 2.91Å; S321-R326 PolarHBondContact OG-O 3.27Å |
| 322 | T | 94.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 61.5 Ų | 61.5 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 177 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | Q318 F319 K320 | Q318-T322 VanDerWaalsContact O-CB 3.27Å; Q318-T322 WeakPolarHBondContact O-CB 3.26Å; Q318-T322 PolarHBondContact O-N 3.42Å; Q318-T322 PolarHBondContact O-OG1 3.24Å; F319-T322 PolarHBondContact O-N 3.47Å; K320-T322 VanDerWaalsContact C-N 3.34Å; K320-T322 PolarHBondContact O-N 3.16Å |
| 323 | Y | 93.8 | Very high | 93.3 | Very high | 66 Ų | 66 | 63 Ų | 63 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.2 | -50.5 | -178.7 | -167 | -81.6 | 0 | 0 | 0 | 111.8 | F319 K320 E339 I343 V351 F429 | F319-Y323 HydrophobicContact CE1-CD2 4.48Å; F319-Y323 HydrophobicContact CZ-CD2 4.43Å; F319-Y323 WeakPolarHBondContact O-CB 3.07Å; F319-Y323 PolarHBondContact O-N 2.9Å; K320-Y323 PolarHBondContact O-N 2.83Å; Y323-E339 HydrophobicContact CE1-CG 3.81Å; Y323-E339 PolarHBondContact OH-OE1 2.91Å; Y323-I343 WeakPolarHBondContact OH-CD1 3.37Å; Y323-V351 HydrophobicContact CE2-CG2 4.17Å; Y323-F429 HydrophobicContact CD1-CE2 4.08Å; Y323-F429 HydrophobicContact CD1-CZ 4.11Å; Y323-F429 HydrophobicContact CD2-CE2 4.28Å; Y323-F429 AromaticContact CE1-CE2 3.99Å; Y323-F429 HydrophobicContact CE1-CE2 3.99Å; Y323-F429 AromaticContact CE1-CZ 3.88Å; Y323-F429 HydrophobicContact CE1-CZ 3.88Å; Y323-F429 HydrophobicContact CE2-CE2 4.18Å; Y323-F429 HydrophobicContact CG-CE2 4.24Å |
| 324 | F | 94.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 64.8 Ų | 64.8 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -88.2 | -7.4 | -176.9 | -70.7 | -81.6 | 0 | 0 | 0 | 114.4 | K320 R326 V331 E335 V336 E339 V428 F429 | K320-F324 HydrophobicContact CG-CD2 4.04Å; K320-F324 HydrophobicContact CG-CE2 4.41Å; K320-F324 WeakPolarHBondContact O-CD2 3.39Å; K320-F324 PolarHBondContact O-N 3.42Å; K320-F324 VanDerWaalsContact O-N 3.09Å; F324-R326 PolarHBondContact O-N 2.98Å; F324-V331 HydrophobicContact CB-CG1 4.36Å; F324-V331 HydrophobicContact CB-CG2 3.71Å; F324-V331 HydrophobicContact CD1-CG1 3.73Å; F324-V331 HydrophobicContact CD2-CG1 4.02Å; F324-V331 HydrophobicContact CD2-CG2 4.19Å; F324-V331 HydrophobicContact CE1-CG1 3.96Å; F324-V331 HydrophobicContact CE2-CG1 4.24Å; F324-V331 HydrophobicContact CG-CG1 3.77Å; F324-V331 HydrophobicContact CG-CG2 3.93Å; F324-V331 HydrophobicContact CZ-CG1 4.21Å; F324-E335 HydrophobicContact CE1-CG 4.33Å; F324-V336 HydrophobicContact CE2-CG2 4.25Å; F324-V336 HydrophobicContact CZ-CB 4.36Å; F324-V336 HydrophobicContact CZ-CG1 4.48Å; F324-V336 HydrophobicContact CZ-CG2 3.94Å; F324-E339 HydrophobicContact CE1-CB 4.4Å; F324-E339 HydrophobicContact CE1-CG 4.37Å; F324-E339 HydrophobicContact CZ-CB 4.43Å; F324-E339 HydrophobicContact CZ-CG 4.34Å; F324-V428 HydrophobicContact CE2-CG2 4.26Å; F324-F429 HydrophobicContact CE2-CE1 4.41Å; F324-F429 HydrophobicContact CE2-CE2 4.46Å; F324-F429 AromaticContact CE2-CZ 3.78Å; F324-F429 HydrophobicContact CE2-CZ 3.78Å; F324-F429 HydrophobicContact CZ-CE1 4.08Å; F324-F429 AromaticContact CZ-CZ 3.62Å; F324-F429 HydrophobicContact CZ-CZ 3.62Å |
| 325 | K | 92.6 | Very high | 93.3 | Very high | 190 Ų | 190 | 62.4 Ų | 62.4 | 83% | 0.826 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.2 | -177 | -53.5 | 178.8 | -177.5 | 178.4 | 0 | 113.2 | S321 | S321-K325 VanDerWaalsContact O-CA 3.29Å; S321-K325 WeakPolarHBondContact O-CA 3.24Å; S321-K325 PolarHBondContact O-N 3.33Å |
| 326 | R | 91.8 | Very high | 93.4 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -142.2 | 161.4 | 177.9 | -62 | -176.8 | -147.6 | 153 | 17.6 | 108.9 | S321 F324 V331 E335 | S321-R326 WeakPolarHBondContact CA-O 3.46Å; S321-R326 WeakPolarHBondContact CB-O 3.24Å; S321-R326 PolarHBondContact O-N 2.91Å; S321-R326 PolarHBondContact OG-O 3.27Å; F324-R326 PolarHBondContact O-N 2.98Å; R326-V331 HydrophobicContact CB-CG2 4.38Å; R326-E335 IonicContact CZ-OE1 3.61Å; R326-E335 IonicContact CZ-OE2 2.75Å; R326-E335 IonicContact NH1-OE1 2.79Å; R326-E335 IonicContact NH1-OE2 3.78Å; R326-E335 PolarHBondContact NH1-OE2 3.49Å; R326-E335 IonicContact NH2-OE1 3.78Å; R326-E335 PolarHBondContact NH2-OE1 3.16Å; R326-E335 IonicContact NH2-OE2 3.98Å; R326-E335 PolarHBondContact NH2-OE2 3.34Å |
| 327 | P | 89.1 | Confident | 93.4 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | trans | -53.2 | 142.6 | 166.8 | -24.5 | 35.6 | 0 | 0 | 0 | 110.7 | T329 D330 | P327-T329 PolarHBondContact O-N 2.94Å; P327-T329 VanDerWaalsContact O-N 3.16Å; P327-D330 HydrophobicContact CB-CB 4.49Å; P327-D330 WeakPolarHBondContact CG-OD2 3.31Å; P327-D330 PolarHBondContact O-N 3.22Å | ||
| 328 | C | 88 | Confident | 93.4 | Very high | 24 Ų | 24 | 64 Ų | 64 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -56.7 | -33.4 | -176.3 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | K320 D330 | K320-C328 HydrophobicContact CB-CB 4.25Å; K320-C328 HydrophobicContact CD-CB 3.92Å; K320-C328 WeakPolarHBondContact CE-O 3.34Å; K320-C328 HydrophobicContact CG-CB 4.16Å; K320-C328 PolarHBondContact NZ-O 3.49Å; C328-D330 VanDerWaalsContact C-N 3.31Å; C328-D330 PolarHBondContact O-N 2.76Å |
| 329 | T | 87.8 | Confident | 93.2 | Very high | 113 Ų | 113 | 58.1 Ų | 58.1 | 69% | 0.693 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -68.6 | -21 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 115 | P327 | P327-T329 PolarHBondContact O-N 2.94Å; P327-T329 VanDerWaalsContact O-N 3.16Å |
| 330 | D | 90.9 | Very high | 93.2 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -97.4 | 2.5 | -170.9 | -63.3 | -3.5 | 0 | 0 | 0 | 112.5 | P327 C328 P332 | P327-D330 HydrophobicContact CB-CB 4.49Å; P327-D330 WeakPolarHBondContact CG-OD2 3.31Å; P327-D330 PolarHBondContact O-N 3.22Å; C328-D330 VanDerWaalsContact C-N 3.31Å; C328-D330 PolarHBondContact O-N 2.76Å; D330-P332 WeakPolarHBondContact O-CD 3.35Å |
| 331 | V | 93.5 | Very high | 93 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -92.2 | 113.7 | -178.9 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | F324 R326 V336 | F324-V331 HydrophobicContact CB-CG1 4.36Å; F324-V331 HydrophobicContact CB-CG2 3.71Å; F324-V331 HydrophobicContact CD1-CG1 3.73Å; F324-V331 HydrophobicContact CD2-CG1 4.02Å; F324-V331 HydrophobicContact CD2-CG2 4.19Å; F324-V331 HydrophobicContact CE1-CG1 3.96Å; F324-V331 HydrophobicContact CE2-CG1 4.24Å; F324-V331 HydrophobicContact CG-CG1 3.77Å; F324-V331 HydrophobicContact CG-CG2 3.93Å; F324-V331 HydrophobicContact CZ-CG1 4.21Å; R326-V331 HydrophobicContact CB-CG2 4.38Å; V331-V336 HydrophobicContact CB-CG2 4.5Å; V331-V336 HydrophobicContact CG1-CG2 3.58Å |
| 332 | P | 94.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 47% | 0.468 | 28% | 0.284 | S | S | . | . | trans | -67.5 | 144.7 | -178.7 | -19.6 | 32.8 | 0 | 0 | 0 | 113 | D330 G334 E335 V336 | D330-P332 WeakPolarHBondContact O-CD 3.35Å; P332-G334 VanDerWaalsContact C-N 3.26Å; P332-G334 PolarHBondContact O-N 3.46Å; P332-G334 VanDerWaalsContact O-N 3.17Å; P332-E335 WeakPolarHBondContact O-CB 3.13Å; P332-E335 PolarHBondContact O-N 3.17Å; P332-V336 PolarHBondContact O-N 3.06Å | ||
| 333 | C | 94.8 | Very high | 92.5 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.8 | -40 | 179.9 | -61 | 0 | 0 | 0 | 0 | 113.6 | E335 V336 E337 Q528 | C333-E335 VanDerWaalsContact C-N 3.29Å; C333-E335 PolarHBondContact O-N 2.77Å; C333-V336 PolarHBondContact O-N 3.21Å; C333-E337 WeakPolarHBondContact O-CB 3.49Å; C333-E337 PolarHBondContact O-N 3.07Å; C333-Q528 HydrophobicContact CB-CG 4.4Å; C333-Q528 PolarHBondContact O-NE2 3.2Å |
| 334 | G | 93.6 | Very high | 92.1 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 40% | 0.402 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.1 | -18.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P332 R338 | P332-G334 VanDerWaalsContact C-N 3.26Å; P332-G334 PolarHBondContact O-N 3.46Å; P332-G334 VanDerWaalsContact O-N 3.17Å; G334-R338 WeakPolarHBondContact O-CB 3.29Å; G334-R338 PolarHBondContact O-N 3.15Å; G334-R338 PolarHBondContact O-NH2 3.3Å |
| 335 | E | 94.2 | Very high | 91.3 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 20% | 0.201 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.5 | -45.7 | 170.6 | -169.4 | 172.2 | 168.9 | 0 | 0 | 110.3 | F324 R326 P332 C333 E339 | F324-E335 HydrophobicContact CE1-CG 4.33Å; R326-E335 IonicContact CZ-OE1 3.61Å; R326-E335 IonicContact CZ-OE2 2.75Å; R326-E335 IonicContact NH1-OE1 2.79Å; R326-E335 IonicContact NH1-OE2 3.78Å; R326-E335 PolarHBondContact NH1-OE2 3.49Å; R326-E335 IonicContact NH2-OE1 3.78Å; R326-E335 PolarHBondContact NH2-OE1 3.16Å; R326-E335 IonicContact NH2-OE2 3.98Å; R326-E335 PolarHBondContact NH2-OE2 3.34Å; P332-E335 WeakPolarHBondContact O-CB 3.13Å; P332-E335 PolarHBondContact O-N 3.17Å; C333-E335 VanDerWaalsContact C-N 3.29Å; C333-E335 PolarHBondContact O-N 2.77Å; E335-E339 WeakPolarHBondContact O-CB 3.36Å; E335-E339 PolarHBondContact O-N 2.91Å |
| 336 | V | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.4 | -176 | 0 | 0 | 0 | 0 | 111.5 | F324 V331 P332 C333 E339 F340 V428 F429 F526 | F324-V336 HydrophobicContact CE2-CG2 4.25Å; F324-V336 HydrophobicContact CZ-CB 4.36Å; F324-V336 HydrophobicContact CZ-CG1 4.48Å; F324-V336 HydrophobicContact CZ-CG2 3.94Å; V331-V336 HydrophobicContact CB-CG2 4.5Å; V331-V336 HydrophobicContact CG1-CG2 3.58Å; P332-V336 PolarHBondContact O-N 3.06Å; C333-V336 PolarHBondContact O-N 3.21Å; V336-E339 PolarHBondContact O-N 3.38Å; V336-F340 WeakPolarHBondContact O-CB 3.42Å; V336-F340 PolarHBondContact O-N 3.05Å; V336-V428 HydrophobicContact CG1-CG2 3.87Å; V336-F429 HydrophobicContact CG1-CD1 3.94Å; V336-F429 HydrophobicContact CG1-CE1 3.62Å; V336-F526 HydrophobicContact CG1-CE2 4.08Å |
| 337 | E | 96.1 | Very high | 89.4 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | -179.7 | -176.3 | 179.5 | -147.1 | 0 | 0 | 112.3 | F7 C333 E339 F340 W341 Y456 R506 F526 | F7-E337 HydrophobicContact CD1-CG 4.25Å; F7-E337 HydrophobicContact CE1-CG 3.68Å; F7-E337 HydrophobicContact CZ-CG 4.46Å; C333-E337 WeakPolarHBondContact O-CB 3.49Å; C333-E337 PolarHBondContact O-N 3.07Å; E337-E339 VanDerWaalsContact C-N 3.3Å; E337-E339 PolarHBondContact O-N 2.67Å; E337-F340 PolarHBondContact O-N 2.98Å; E337-W341 VanDerWaalsContact O-CD1 3.24Å; E337-W341 PolarHBondContact O-N 3.4Å; E337-Y456 VanDerWaalsContact CG-OH 3.3Å; E337-Y456 WeakPolarHBondContact CG-OH 3.45Å; E337-Y456 PolarHBondContact OE1-OH 2.99Å; E337-R506 IonicContact OE1-CZ 3.61Å; E337-R506 IonicContact OE1-NH1 2.92Å; E337-R506 PolarHBondContact OE1-NH1 3.13Å; E337-R506 IonicContact OE2-NH1 2.77Å; E337-R506 PolarHBondContact OE2-NH1 3.25Å; E337-F526 HydrophobicContact CB-CZ 3.76Å; E337-F526 HydrophobicContact CG-CE1 4.14Å; E337-F526 HydrophobicContact CG-CZ 3.86Å |
| 338 | R | 94.1 | Very high | 88.3 | Confident | 131 Ų | 131 | 44.2 Ų | 44.2 | 49% | 0.494 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 175.1 | 170.5 | 171.8 | 39.2 | -139.8 | -18.1 | 111.3 | F5 G334 R342 | F5-R338 HydrophobicContact CD1-CG 4.47Å; F5-R338 HydrophobicContact CE1-CG 4.37Å; F5-R338 WeakPolarHBondContact CE1-O 3.47Å; G334-R338 WeakPolarHBondContact O-CB 3.29Å; G334-R338 PolarHBondContact O-N 3.15Å; G334-R338 PolarHBondContact O-NH2 3.3Å; R338-R342 WeakPolarHBondContact O-CB 2.81Å; R338-R342 PolarHBondContact O-N 3.48Å; R338-R342 VanDerWaalsContact O-N 3.08Å |
| 339 | E | 92.7 | Very high | 87.4 | Confident | 7 Ų | 7 | 46 Ų | 46 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70 | -39.3 | -179.9 | -176.5 | 60.5 | -177.2 | 0 | 0 | 112.4 | M1 Y323 F324 E335 V336 E337 W341 R342 I343 F429 | M1-E339 HydrophobicContact CE-CG 4.22Å; M1-E339 VanDerWaalsContact CE-OE2 3.25Å; M1-E339 WeakPolarHBondContact CE-OE2 3.38Å; Y323-E339 HydrophobicContact CE1-CG 3.81Å; Y323-E339 PolarHBondContact OH-OE1 2.91Å; F324-E339 HydrophobicContact CE1-CB 4.4Å; F324-E339 HydrophobicContact CE1-CG 4.37Å; F324-E339 HydrophobicContact CZ-CB 4.43Å; F324-E339 HydrophobicContact CZ-CG 4.34Å; E335-E339 WeakPolarHBondContact O-CB 3.36Å; E335-E339 PolarHBondContact O-N 2.91Å; V336-E339 PolarHBondContact O-N 3.38Å; E337-E339 VanDerWaalsContact C-N 3.3Å; E337-E339 PolarHBondContact O-N 2.67Å; E339-W341 PolarHBondContact O-N 2.89Å; E339-R342 WeakPolarHBondContact O-CB 3.41Å; E339-R342 PolarHBondContact O-N 2.88Å; E339-R342 IonicContact OE1-CZ 3.58Å; E339-R342 IonicContact OE1-NE 2.82Å; E339-R342 PolarHBondContact OE1-NE 3.25Å; E339-R342 IonicContact OE1-NH2 3.48Å; E339-R342 PolarHBondContact OE1-NH2 3.45Å; E339-R342 IonicContact OE2-CZ 2.78Å; E339-R342 IonicContact OE2-NE 3.3Å; E339-R342 PolarHBondContact OE2-NE 3.38Å; E339-R342 IonicContact OE2-NH2 2.74Å; E339-I343 HydrophobicContact CG-CD1 4.06Å; E339-I343 HydrophobicContact CG-CG1 4.5Å; E339-I343 WeakPolarHBondContact O-CD1 3.5Å; E339-I343 VanDerWaalsContact O-CG1 3.27Å; E339-I343 WeakPolarHBondContact O-CG1 3.35Å; E339-I343 PolarHBondContact O-N 2.92Å; E339-F429 HydrophobicContact CB-CE1 4.47Å; E339-F429 HydrophobicContact CG-CE1 4.34Å; E339-F429 HydrophobicContact CG-CZ 3.99Å |
| 340 | F | 93.9 | Very high | 87 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.8 | -54.1 | 174.1 | 175.2 | -99.6 | 0 | 0 | 0 | 111 | L71 V336 E337 R342 I343 L344 F429 F526 | L71-F340 HydrophobicContact CD2-CE2 4.42Å; V336-F340 WeakPolarHBondContact O-CB 3.42Å; V336-F340 PolarHBondContact O-N 3.05Å; E337-F340 PolarHBondContact O-N 2.98Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.48Å; F340-I343 PolarHBondContact O-N 3.03Å; F340-L344 HydrophobicContact CD1-CD1 4.2Å; F340-L344 HydrophobicContact CD2-CD1 3.88Å; F340-L344 HydrophobicContact CE1-CD1 3.94Å; F340-L344 HydrophobicContact CE1-CD2 4.06Å; F340-L344 HydrophobicContact CE2-CD1 3.61Å; F340-L344 HydrophobicContact CG-CD1 4.17Å; F340-L344 HydrophobicContact CZ-CD1 3.64Å; F340-L344 HydrophobicContact CZ-CD2 3.96Å; F340-L344 WeakPolarHBondContact O-CD1 3.03Å; F340-L344 PolarHBondContact O-N 3.29Å; F340-L344 VanDerWaalsContact O-N 3.16Å; F340-F429 HydrophobicContact CB-CD1 4.07Å; F340-F429 HydrophobicContact CB-CE1 4.39Å; F340-F429 HydrophobicContact CD2-CB 4.09Å; F340-F429 HydrophobicContact CD2-CD1 4.15Å; F340-F429 WeakPolarHBondContact CE2-O 3.15Å; F340-F526 HydrophobicContact CB-CD2 4.46Å; F340-F526 HydrophobicContact CB-CE1 4.49Å; F340-F526 HydrophobicContact CB-CE2 4.38Å; F340-F526 HydrophobicContact CB-CZ 4.42Å; F340-F526 AromaticContact CD1-CD1 3.57Å; F340-F526 HydrophobicContact CD1-CD1 3.57Å; F340-F526 AromaticContact CD1-CE1 3.89Å; F340-F526 HydrophobicContact CD1-CE1 3.89Å; F340-F526 HydrophobicContact CD1-CG 4.06Å; F340-F526 HydrophobicContact CD2-CB 4.14Å; F340-F526 HydrophobicContact CD2-CD1 4.36Å; F340-F526 HydrophobicContact CD2-CD2 4.33Å; F340-F526 HydrophobicContact CD2-CG 4Å; F340-F526 HydrophobicContact CE1-CB 4.39Å; F340-F526 AromaticContact CE1-CD1 3.72Å; F340-F526 HydrophobicContact CE1-CD1 3.72Å; F340-F526 HydrophobicContact CE1-CE1 4.41Å; F340-F526 HydrophobicContact CE1-CG 4.21Å; F340-F526 HydrophobicContact CE2-CB 3.84Å; F340-F526 HydrophobicContact CE2-CD1 4.47Å; F340-F526 HydrophobicContact CE2-CG 4.14Å; F340-F526 AromaticContact CG-CD1 3.92Å; F340-F526 HydrophobicContact CG-CD1 3.92Å; F340-F526 HydrophobicContact CG-CD2 4.26Å; F340-F526 HydrophobicContact CG-CE1 4.24Å; F340-F526 AromaticContact CG-CG 3.95Å; F340-F526 HydrophobicContact CG-CG 3.95Å; F340-F526 HydrophobicContact CZ-CB 3.97Å; F340-F526 HydrophobicContact CZ-CD1 4.18Å; F340-F526 HydrophobicContact CZ-CG 4.25Å |
| 341 | W | 92.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -27.4 | 179.7 | -70.3 | 115.6 | 0 | 0 | 0 | 113.6 | F5 F7 E337 E339 L344 Q345 Y456 N493 P494 | F5-W341 HydrophobicContact CE1-CB 4.3Å; F5-W341 HydrophobicContact CZ-CB 3.85Å; F7-W341 AromaticContact CD1-CD1 3.95Å; F7-W341 HydrophobicContact CD2-CB 4.03Å; F7-W341 AromaticContact CD2-CD1 3.63Å; F7-W341 AromaticContact CD2-CG 3.84Å; F7-W341 HydrophobicContact CD2-CG 3.84Å; F7-W341 AromaticContact CE1-CD1 3.67Å; F7-W341 HydrophobicContact CE2-CB 4.45Å; F7-W341 AromaticContact CE2-CD1 3.31Å; F7-W341 HydrophobicContact CE2-CD2 4.28Å; F7-W341 AromaticContact CE2-CG 3.77Å; F7-W341 HydrophobicContact CE2-CG 3.77Å; F7-W341 AromaticContact CE2-NE1 3.57Å; F7-W341 HydrophobicContact CG-CB 4.33Å; F7-W341 AromaticContact CG-CD1 3.94Å; F7-W341 HydrophobicContact CG-CG 4.35Å; F7-W341 AromaticContact CZ-CD1 3.33Å; F7-W341 HydrophobicContact CZ-CG 4.23Å; F7-W341 AromaticContact CZ-NE1 3.37Å; E337-W341 VanDerWaalsContact O-CD1 3.24Å; E337-W341 PolarHBondContact O-N 3.4Å; E339-W341 PolarHBondContact O-N 2.89Å; W341-L344 HydrophobicContact CE3-CD2 4.22Å; W341-L344 HydrophobicContact CZ3-CD2 3.91Å; W341-Q345 WeakPolarHBondContact O-CG 3.49Å; W341-Q345 PolarHBondContact O-N 2.86Å; W341-Y456 HydrophobicContact CZ2-CD2 4.09Å; W341-Y456 AromaticContact CZ2-CE2 3.53Å; W341-Y456 HydrophobicContact CZ2-CE2 3.53Å; W341-Y456 AromaticContact CZ2-CZ 4Å; W341-Y456 AromaticContact NE1-CE2 3.88Å; W341-Y456 AromaticContact NE1-CZ 3.54Å; W341-Y456 PolarHBondContact NE1-OH 2.95Å; W341-N493 HydrophobicContact CE3-CB 3.99Å; W341-N493 HydrophobicContact CZ3-CB 4.25Å; W341-P494 HydrophobicContact CH2-CG 4.18Å; W341-P494 HydrophobicContact CZ2-CG 3.63Å |
| 342 | R | 90.4 | Very high | 86.7 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -50.5 | 171.7 | -169.3 | -164.8 | 67 | 74.5 | 2.8 | 110.7 | F5 R338 E339 F340 L344 Q345 E346 D349 | F5-R342 HydrophobicContact CB-CG 4.19Å; F5-R342 HydrophobicContact CD1-CB 3.61Å; F5-R342 HydrophobicContact CD1-CG 3.88Å; F5-R342 HydrophobicContact CE1-CB 3.79Å; F5-R342 HydrophobicContact CG-CB 4.19Å; F5-R342 HydrophobicContact CG-CG 4.02Å; R338-R342 WeakPolarHBondContact O-CB 2.81Å; R338-R342 PolarHBondContact O-N 3.48Å; R338-R342 VanDerWaalsContact O-N 3.08Å; E339-R342 WeakPolarHBondContact O-CB 3.41Å; E339-R342 PolarHBondContact O-N 2.88Å; E339-R342 IonicContact OE1-CZ 3.58Å; E339-R342 IonicContact OE1-NE 2.82Å; E339-R342 PolarHBondContact OE1-NE 3.25Å; E339-R342 IonicContact OE1-NH2 3.48Å; E339-R342 PolarHBondContact OE1-NH2 3.45Å; E339-R342 IonicContact OE2-CZ 2.78Å; E339-R342 IonicContact OE2-NE 3.3Å; E339-R342 PolarHBondContact OE2-NE 3.38Å; E339-R342 IonicContact OE2-NH2 2.74Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.48Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-L344 PolarHBondContact O-N 3.27Å; R342-Q345 PolarHBondContact O-N 3.06Å; R342-E346 WeakPolarHBondContact CD-OE2 3.17Å; R342-E346 HydrophobicContact CG-CG 4.28Å; R342-E346 WeakPolarHBondContact CG-OE2 3.39Å; R342-E346 IonicContact CZ-OE2 3.82Å; R342-E346 IonicContact NH1-OE2 2.84Å; R342-E346 PolarHBondContact NH1-OE2 3.49Å; R342-E346 WeakPolarHBondContact O-CB 3.08Å; R342-E346 PolarHBondContact O-N 3.31Å; R342-D349 IonicContact CZ-OD2 3.49Å; R342-D349 IonicContact NH1-OD2 3.13Å; R342-D349 PolarHBondContact NH1-OD2 3.36Å; R342-D349 VanDerWaalsContact NH1-OD2 3.13Å; R342-D349 IonicContact NH2-OD2 2.87Å; R342-D349 PolarHBondContact NH2-OD2 3.02Å |
| 343 | I | 88.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | -179.1 | -64.5 | 158.7 | 0 | 0 | 0 | 111 | L71 Y323 E339 F340 Q345 E346 V351 F429 | L71-I343 HydrophobicContact CB-CG2 3.91Å; L71-I343 HydrophobicContact CD1-CD1 4.39Å; L71-I343 HydrophobicContact CD1-CG2 4.03Å; Y323-I343 WeakPolarHBondContact OH-CD1 3.37Å; E339-I343 HydrophobicContact CG-CD1 4.06Å; E339-I343 HydrophobicContact CG-CG1 4.5Å; E339-I343 WeakPolarHBondContact O-CD1 3.5Å; E339-I343 VanDerWaalsContact O-CG1 3.27Å; E339-I343 WeakPolarHBondContact O-CG1 3.35Å; E339-I343 PolarHBondContact O-N 2.92Å; F340-I343 PolarHBondContact O-N 3.03Å; I343-Q345 VanDerWaalsContact C-N 3.33Å; I343-Q345 PolarHBondContact O-N 3.49Å; I343-E346 CarbonylContact O-C 3.58Å; I343-V351 HydrophobicContact CD1-CG2 4.22Å; I343-V351 HydrophobicContact CG1-CG2 4.31Å; I343-V351 HydrophobicContact CG2-CB 3.97Å; I343-V351 HydrophobicContact CG2-CG2 3.88Å; I343-F429 HydrophobicContact CD1-CD2 4.28Å; I343-F429 HydrophobicContact CD1-CE1 4.29Å; I343-F429 HydrophobicContact CD1-CE2 3.94Å; I343-F429 HydrophobicContact CD1-CZ 3.93Å |
| 344 | L | 85.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -34.8 | -179.2 | -90.2 | 78.6 | 0 | 0 | 0 | 112.8 | L71 L74 E75 S78 F340 W341 R342 N491 | L71-L344 HydrophobicContact CB-CD1 4.26Å; L74-L344 HydrophobicContact CB-CD2 4.34Å; E75-L344 HydrophobicContact CB-CB 4.09Å; E75-L344 HydrophobicContact CB-CD2 4.42Å; E75-L344 HydrophobicContact CB-CG 4.43Å; E75-L344 VanDerWaalsContact CB-O 3.28Å; E75-L344 WeakPolarHBondContact CB-O 3.12Å; S78-L344 PolarHBondContact OG-O 3.06Å; F340-L344 HydrophobicContact CD1-CD1 4.2Å; F340-L344 HydrophobicContact CD2-CD1 3.88Å; F340-L344 HydrophobicContact CE1-CD1 3.94Å; F340-L344 HydrophobicContact CE1-CD2 4.06Å; F340-L344 HydrophobicContact CE2-CD1 3.61Å; F340-L344 HydrophobicContact CG-CD1 4.17Å; F340-L344 HydrophobicContact CZ-CD1 3.64Å; F340-L344 HydrophobicContact CZ-CD2 3.96Å; F340-L344 WeakPolarHBondContact O-CD1 3.03Å; F340-L344 PolarHBondContact O-N 3.29Å; F340-L344 VanDerWaalsContact O-N 3.16Å; W341-L344 HydrophobicContact CE3-CD2 4.22Å; W341-L344 HydrophobicContact CZ3-CD2 3.91Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-L344 PolarHBondContact O-N 3.27Å; L344-N491 HydrophobicContact CD2-CB 4Å |
| 345 | Q | 78.6 | Confident | 86.5 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -88.3 | -41.4 | -179.3 | -69.5 | -167.7 | -7.5 | 0 | 0 | 113.5 | W341 R342 I343 Y347 N493 | W341-Q345 WeakPolarHBondContact O-CG 3.49Å; W341-Q345 PolarHBondContact O-N 2.86Å; R342-Q345 PolarHBondContact O-N 3.06Å; I343-Q345 VanDerWaalsContact C-N 3.33Å; I343-Q345 PolarHBondContact O-N 3.49Å; Q345-Y347 PolarHBondContact O-N 3.49Å; Q345-N493 PolarHBondContact NE2-ND2 3.04Å |
| 346 | E | 73.9 | Confident | 86.1 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | trans | -92.9 | 77.1 | 176.7 | -61.6 | -178.6 | 170.3 | 0 | 0 | 108.8 | R342 I343 N348 | R342-E346 WeakPolarHBondContact CD-OE2 3.17Å; R342-E346 HydrophobicContact CG-CG 4.28Å; R342-E346 WeakPolarHBondContact CG-OE2 3.39Å; R342-E346 IonicContact CZ-OE2 3.82Å; R342-E346 IonicContact NH1-OE2 2.84Å; R342-E346 PolarHBondContact NH1-OE2 3.49Å; R342-E346 WeakPolarHBondContact O-CB 3.08Å; R342-E346 PolarHBondContact O-N 3.31Å; I343-E346 CarbonylContact O-C 3.58Å; E346-N348 PolarHBondContact O-N 2.92Å | ||
| 347 | Y | 69 | Low | 85.5 | Confident | 83 Ų | 83 | 39.2 Ų | 39.2 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 25.9 | 179.6 | 60.5 | -86.4 | 0 | 0 | 0 | 114.6 | K81 Q345 | K81-Y347 HydrophobicContact CD-CE1 4.11Å; Q345-Y347 PolarHBondContact O-N 3.49Å |
| 348 | N | 67.1 | Low | 84.5 | Confident | 134 Ų | 134 | 40 Ų | 40 | 72% | 0.717 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -24.3 | 175.5 | -61.4 | -32.8 | 0 | 0 | 0 | 111.9 | E346 | E346-N348 PolarHBondContact O-N 2.92Š|
| 349 | D | 69.9 | Low | 83.8 | Confident | 63 Ų | 63 | 34.4 Ų | 34.4 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -102.5 | 118.5 | -177.5 | -60.2 | -36.6 | 0 | 0 | 0 | 109.8 | R342 V351 | R342-D349 IonicContact CZ-OD2 3.49Å; R342-D349 IonicContact NH1-OD2 3.13Å; R342-D349 PolarHBondContact NH1-OD2 3.36Å; R342-D349 VanDerWaalsContact NH1-OD2 3.13Å; R342-D349 IonicContact NH2-OD2 2.87Å; R342-D349 PolarHBondContact NH2-OD2 3.02Å; D349-V351 HydrophobicContact CB-CG2 3.98Å; D349-V351 PolarHBondContact O-N 2.94Å |
| 350 | D | 78.2 | Confident | 82.7 | Confident | 111 Ų | 111 | 34.4 Ų | 34.4 | 59% | 0.594 | 17% | 0.174 | S | C | * | . | trans | -80.1 | 71.5 | 175.7 | -171.9 | 9.9 | 0 | 0 | 0 | 110.4 | Y72 | Y72-D350 VanDerWaalsContact CE1-OD1 3.23Å; Y72-D350 WeakPolarHBondContact CE1-OD1 3.15Å | ||
| 351 | V | 88.6 | Confident | 81.5 | Confident | 12 Ų | 12 | 34.7 Ų | 34.7 | 7% | 0.073 | 18% | 0.177 | C | C | . | . | trans | -85.9 | 113.3 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L71 F319 Y323 I343 D349 V353 F429 | L71-V351 HydrophobicContact CD1-CB 4.05Å; L71-V351 HydrophobicContact CD1-CG1 3.7Å; L71-V351 HydrophobicContact CG-CG1 4.45Å; L71-V351 PolarHBondContact N-O 2.94Å; F319-V351 HydrophobicContact CZ-CG1 4.1Å; Y323-V351 HydrophobicContact CE2-CG2 4.17Å; I343-V351 HydrophobicContact CD1-CG2 4.22Å; I343-V351 HydrophobicContact CG1-CG2 4.31Å; I343-V351 HydrophobicContact CG2-CB 3.97Å; I343-V351 HydrophobicContact CG2-CG2 3.88Å; D349-V351 HydrophobicContact CB-CG2 3.98Å; D349-V351 PolarHBondContact O-N 2.94Å; V351-V353 HydrophobicContact CG1-CG1 4.34Å; V351-F429 HydrophobicContact CG1-CD2 4.32Å | ||
| 352 | V | 89.8 | Confident | 80.1 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 35% | 0.345 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.8 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | I68 Q69 R70 | I68-V352 HydrophobicContact CG2-CG1 3.39Å; Q69-V352 WeakPolarHBondContact O-CA 3.48Å; R70-V352 HydrophobicContact CG-CG1 4.46Å; R70-V352 HydrophobicContact CG-CG2 4.17Å |
| 353 | V | 93.3 | Very high | 78.9 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 157.2 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | Q69 L71 F319 V351 M427 F429 | Q69-V353 HydrophobicContact CB-CG2 3.81Å; Q69-V353 PolarHBondContact N-O 2.85Å; Q69-V353 PolarHBondContact O-N 2.89Å; L71-V353 HydrophobicContact CD1-CG1 4.39Å; L71-V353 HydrophobicContact CD2-CG2 3.81Å; L71-V353 HydrophobicContact CG-CG2 4.35Å; F319-V353 HydrophobicContact CE1-CG1 4.3Å; F319-V353 HydrophobicContact CZ-CG1 4.1Å; V351-V353 HydrophobicContact CG1-CG1 4.34Å; V353-M427 HydrophobicContact CB-CE 4.43Å; V353-M427 HydrophobicContact CB-CG 4.26Å; V353-M427 HydrophobicContact CB-SD 3.96Å; V353-M427 HydrophobicContact CG1-CE 4.42Å; V353-F429 HydrophobicContact CG1-CB 4.13Å; V353-F429 HydrophobicContact CG1-CD2 4.5Å |
| 354 | E | 92.6 | Very high | 77.9 | Confident | 39 Ų | 39 | 42.4 Ų | 42.4 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 150.5 | 179.4 | -65.9 | -176.8 | -167.1 | 0 | 0 | 110.2 | P66 R67 I68 Y307 F312 M315 M427 | P66-E354 HydrophobicContact CB-CB 4.09Å; P66-E354 HydrophobicContact CG-CB 4.49Å; R67-E354 CarbonylContact O-C 3.57Å; R67-E354 WeakPolarHBondContact O-CA 3.4Å; I68-E354 HydrophobicContact CG1-CG 4.43Å; Y307-E354 WeakPolarHBondContact CE2-OE2 3.48Å; F312-E354 HydrophobicContact CE2-CB 3.86Å; F312-E354 HydrophobicContact CZ-CB 4.44Å; F312-E354 WeakPolarHBondContact CZ-O 3.45Å; M315-E354 HydrophobicContact CE-CB 4.1Å; E354-M427 HydrophobicContact CB-SD 4.14Å; E354-M427 PolarHBondContact N-SD 2.89Å; E354-M427 WeakPolarHBondContact O-CG 3.37Å |
| 355 | Y | 91.7 | Very high | 77.4 | Confident | 27 Ų | 27 | 43 Ų | 43 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 150.8 | 177.2 | 76.5 | -66.9 | 0 | 0 | 0 | 112.5 | P66 R67 Q69 F300 A357 | P66-Y355 CarbonylContact C-O 3.59Å; P66-Y355 VanDerWaalsContact CA-O 3.26Å; P66-Y355 WeakPolarHBondContact CA-O 3.38Å; R67-Y355 HydrophobicContact CB-CD1 3.88Å; R67-Y355 HydrophobicContact CB-CE1 3.32Å; R67-Y355 HydrophobicContact CG-CE1 4.44Å; R67-Y355 PolarHBondContact N-O 2.98Å; R67-Y355 VanDerWaalsContact O-CD1 3.25Å; R67-Y355 WeakPolarHBondContact O-CD1 3.31Å; R67-Y355 PolarHBondContact O-N 2.92Å; Q69-Y355 VanDerWaalsContact CD-CE1 3.45Å; Q69-Y355 HydrophobicContact CG-CD1 3.64Å; Q69-Y355 HydrophobicContact CG-CE1 3.33Å; Q69-Y355 VanDerWaalsContact NE2-CE1 3.29Å; Q69-Y355 VanDerWaalsContact NE2-CZ 3.32Å; F300-Y355 HydrophobicContact CD2-CE1 4.39Å; F300-Y355 WeakPolarHBondContact CD2-OH 3.48Å; F300-Y355 HydrophobicContact CG-CE1 4.44Å; Y355-A357 HydrophobicContact CD2-CB 3.67Å; Y355-A357 HydrophobicContact CE2-CB 3.31Å |
| 356 | G | 87.2 | Confident | 77.8 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y424 V425 | G356-Y424 CarbonylContact O-C 3.58Å; G356-Y424 WeakPolarHBondContact O-CA 2.92Å; G356-V425 PolarHBondContact N-O 2.93Å; G356-V425 PolarHBondContact O-N 2.78Å |
| 357 | A | 83.2 | Confident | 78.5 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 155.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y355 I359 Y424 | Y355-A357 HydrophobicContact CD2-CB 3.67Å; Y355-A357 HydrophobicContact CE2-CB 3.31Å; A357-I359 VanDerWaalsContact C-N 3.32Å; A357-Y424 HydrophobicContact CB-CD1 3.75Å; A357-Y424 HydrophobicContact CB-CE1 4.05Å |
| 358 | D | 73.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.4 | 52.3 | -173.4 | -45.6 | -39.9 | 0 | 0 | 0 | 109.8 | R67 K217 W422 | R67-D358 IonicContact CZ-OD2 3.59Å; R67-D358 IonicContact NH1-OD2 2.69Å; R67-D358 IonicContact NH2-OD2 2.88Å; R67-D358 PolarHBondContact NH2-OD2 3.04Å; K217-D358 IonicContact NZ-OD1 2.74Å; K217-D358 PolarHBondContact NZ-OD1 3.11Å; K217-D358 IonicContact NZ-OD2 3.72Å; K217-D358 PolarHBondContact NZ-OD2 3.23Å; D358-W422 VanDerWaalsContact CA-CZ3 3.44Å; D358-W422 HydrophobicContact CB-CD2 4.19Å; D358-W422 HydrophobicContact CB-CE3 3.82Å; D358-W422 HydrophobicContact CB-CH2 3.84Å; D358-W422 HydrophobicContact CB-CZ2 4.28Å; D358-W422 HydrophobicContact CB-CZ3 3.62Å; D358-W422 WeakPolarHBondContact O-CZ3 3.15Å |
| 359 | I | 79.6 | Confident | 80.6 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.7 | 171.9 | -55.9 | 164.8 | 0 | 0 | 0 | 108.4 | F62 F64 A357 S361 Q364 W422 C423 V425 | F62-I359 HydrophobicContact CE1-CD1 4.16Å; F62-I359 HydrophobicContact CE2-CG2 4.38Å; F62-I359 HydrophobicContact CZ-CD1 4.12Å; F62-I359 HydrophobicContact CZ-CG2 3.79Å; F64-I359 HydrophobicContact CB-CD1 3.67Å; F64-I359 HydrophobicContact CB-CG1 4.35Å; F64-I359 HydrophobicContact CD1-CD1 4.49Å; F64-I359 HydrophobicContact CD2-CD1 3.88Å; F64-I359 HydrophobicContact CG-CD1 3.76Å; A357-I359 VanDerWaalsContact C-N 3.32Å; I359-S361 PolarHBondContact O-N 3.23Å; I359-Q364 HydrophobicContact CG2-CB 4.08Å; I359-Q364 HydrophobicContact CG2-CG 3.77Å; I359-W422 VanDerWaalsContact C-CE3 3.5Å; I359-W422 VanDerWaalsContact N-CE3 3.34Å; I359-C423 HydrophobicContact CB-CB 4.25Å; I359-C423 PolarHBondContact N-O 3.48Å; I359-C423 PolarHBondContact O-N 2.92Å; I359-V425 HydrophobicContact CD1-CG2 4.14Å |
| 360 | H | 70.4 | Confident | 81.3 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 130.1 | -176.7 | -58.4 | -97.3 | 0 | 0 | 0 | 110.9 | S362 S363 Q364 D416 W422 | H360-S362 PolarHBondContact O-N 3.16Å; H360-S363 PolarHBondContact O-N 3.08Å; H360-S363 PolarHBondContact O-OG 3.3Å; H360-S363 VanDerWaalsContact O-OG 3.08Å; H360-Q364 PolarHBondContact O-N 3.5Å; H360-D416 IonicContact CE1-OD1 2.87Å; H360-D416 PolarHBondContact CE1-OD1 3.49Å; H360-D416 IonicContact CE1-OD2 3.51Å; H360-D416 PolarHBondContact CE1-OD2 3.37Å; H360-D416 IonicContact ND1-OD1 3.52Å; H360-D416 PolarHBondContact ND1-OD1 2.9Å; H360-D416 IonicContact ND1-OD2 2.83Å; H360-W422 HydrophobicContact CB-CZ3 4.43Å; H360-W422 AromaticContact CD2-CH2 3.9Å; H360-W422 AromaticContact CD2-CZ3 3.43Å; H360-W422 VanDerWaalsContact CD2-CZ3 3.43Å; H360-W422 WeakPolarHBondContact CD2-CZ3 3.39Å; H360-W422 AromaticContact CE1-CH2 3.1Å; H360-W422 WeakPolarHBondContact CE1-CH2 3.31Å; H360-W422 AromaticContact CE1-CZ2 3.87Å; H360-W422 AromaticContact CE1-CZ3 3.38Å; H360-W422 WeakPolarHBondContact CE1-CZ3 3.48Å; H360-W422 AromaticContact CG-CZ3 3.52Å; H360-W422 AromaticContact ND1-CH2 3.62Å; H360-W422 AromaticContact ND1-CZ3 3.5Å; H360-W422 AromaticContact NE2-CH2 3.29Å; H360-W422 VanDerWaalsContact NE2-CH2 3.29Å; H360-W422 WeakPolarHBondContact NE2-CH2 3.35Å; H360-W422 AromaticContact NE2-CZ3 3.36Å; H360-W422 WeakPolarHBondContact NE2-CZ3 3.43Å |
| 361 | S | 68.7 | Low | 81.3 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -23 | 171.6 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | I359 G365 S366 I420 P421 | I359-S361 PolarHBondContact O-N 3.23Å; S361-G365 CarbonylContact O-C 3.6Å; S361-G365 WeakPolarHBondContact O-CA 3.39Å; S361-G365 PolarHBondContact O-N 3.11Å; S361-S366 PolarHBondContact O-N 2.65Å; S361-I420 VanDerWaalsContact OG-CG2 3.24Å; S361-I420 WeakPolarHBondContact OG-CG2 3.31Å; S361-P421 WeakPolarHBondContact CB-O 3.42Å; S361-P421 PolarHBondContact N-O 3.39Å; S361-P421 PolarHBondContact OG-O 3.29Å |
| 362 | S | 63.4 | Low | 80.7 | Confident | 81 Ų | 81 | 28.2 Ų | 28.2 | 57% | 0.566 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -73.6 | -31.1 | 177.2 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | H360 | H360-S362 PolarHBondContact O-N 3.16Å |
| 363 | S | 63.8 | Low | 80.1 | Confident | 47 Ų | 47 | 27.4 Ų | 27.4 | 33% | 0.329 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -88.5 | -45.1 | -178.4 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | H360 | H360-S363 PolarHBondContact O-N 3.08Å; H360-S363 PolarHBondContact O-OG 3.3Å; H360-S363 VanDerWaalsContact O-OG 3.08Å |
| 364 | Q | 67 | Low | 79.3 | Confident | 53 Ų | 53 | 29.2 Ų | 29.2 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -107.9 | -5.7 | -173.4 | -58.8 | -65.3 | -9.2 | 0 | 0 | 113.6 | F62 S63 E205 I359 H360 | F62-Q364 HydrophobicContact CD2-CB 3.61Å; F62-Q364 WeakPolarHBondContact CD2-O 3.35Å; F62-Q364 HydrophobicContact CE2-CB 3.32Å; F62-Q364 HydrophobicContact CE2-CG 4.29Å; F62-Q364 HydrophobicContact CZ-CB 4.06Å; S63-Q364 VanDerWaalsContact O-CD 3.32Å; S63-Q364 PolarHBondContact O-NE2 3.16Å; E205-Q364 PolarHBondContact OE1-NE2 2.9Å; I359-Q364 HydrophobicContact CG2-CB 4.08Å; I359-Q364 HydrophobicContact CG2-CG 3.77Å; H360-Q364 PolarHBondContact O-N 3.5Å |
| 365 | G | 75.2 | Confident | 78.2 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | trans | 97.4 | 145.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S361 | S361-G365 CarbonylContact O-C 3.6Å; S361-G365 WeakPolarHBondContact O-CA 3.39Å; S361-G365 PolarHBondContact O-N 3.11Å | ||
| 366 | S | 87.2 | Confident | 77 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | trans | -77.1 | 148.5 | 170.4 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | V57 S361 F368 N398 E534 | V57-S366 VanDerWaalsContact CG2-O 3.27Å; V57-S366 WeakPolarHBondContact CG2-O 3.24Å; S361-S366 PolarHBondContact O-N 2.65Å; S366-F368 PolarHBondContact O-N 3.36Å; S366-F368 PolarHBondContact OG-N 3.35Å; S366-F368 VanDerWaalsContact OG-N 3.1Å; S366-F368 PolarHBondContact OG-O 3.09Å; S366-N398 WeakPolarHBondContact CB-ND2 3.21Å; S366-N398 PolarHBondContact OG-ND2 3.47Å; S366-E534 WeakPolarHBondContact CB-OE1 3.45Å; S366-E534 PolarHBondContact OG-OE1 3.47Å; S366-E534 PolarHBondContact OG-OE2 3.16Å; S366-E534 VanDerWaalsContact OG-OE2 3.1Å | ||
| 367 | G | 88.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -65.4 | -25.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A56 E534 | A56-G367 PolarHBondContact N-O 2.95Å; G367-E534 WeakPolarHBondContact CA-OE2 3.41Å; G367-E534 PolarHBondContact N-OE2 3.4Å |
| 368 | F | 91.5 | Very high | 75.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -82.8 | 147.5 | 171 | -72.5 | -81.7 | 0 | 0 | 0 | 112.1 | W51 P53 S366 T370 N396 L397 F446 H448 E534 | W51-F368 AromaticContact CH2-CE1 3.73Å; W51-F368 HydrophobicContact CH2-CE1 3.73Å; W51-F368 HydrophobicContact CH2-CZ 4.11Å; W51-F368 HydrophobicContact CZ2-CE1 4.04Å; P53-F368 HydrophobicContact CB-CD1 4.03Å; P53-F368 HydrophobicContact CB-CE1 3.96Å; P53-F368 HydrophobicContact CG-CD1 4.33Å; P53-F368 HydrophobicContact CG-CE1 3.79Å; S366-F368 PolarHBondContact O-N 3.36Å; S366-F368 PolarHBondContact OG-N 3.35Å; S366-F368 VanDerWaalsContact OG-N 3.1Å; S366-F368 PolarHBondContact OG-O 3.09Å; F368-T370 PolarHBondContact O-N 3.08Å; F368-N396 WeakPolarHBondContact CB-OD1 3.35Å; F368-L397 HydrophobicContact CD2-CB 4.4Å; F368-L397 HydrophobicContact CD2-CG 4.34Å; F368-L397 HydrophobicContact CE2-CB 4.25Å; F368-L397 HydrophobicContact CE2-CD1 4.07Å; F368-L397 HydrophobicContact CE2-CG 3.7Å; F368-L397 HydrophobicContact CZ-CG 4.43Å; F368-F446 HydrophobicContact CE1-CD1 4.22Å; F368-F446 HydrophobicContact CE1-CE1 4.17Å; F368-F446 HydrophobicContact CE2-CB 4.15Å; F368-F446 AromaticContact CE2-CD1 3.71Å; F368-F446 HydrophobicContact CE2-CD1 3.71Å; F368-F446 HydrophobicContact CE2-CE1 4.42Å; F368-F446 HydrophobicContact CE2-CG 4.13Å; F368-F446 HydrophobicContact CZ-CB 4.16Å; F368-F446 AromaticContact CZ-CD1 3.32Å; F368-F446 HydrophobicContact CZ-CD1 3.32Å; F368-F446 HydrophobicContact CZ-CD2 4.4Å; F368-F446 AromaticContact CZ-CE1 3.7Å; F368-F446 HydrophobicContact CZ-CE1 3.7Å; F368-F446 AromaticContact CZ-CG 3.71Å; F368-F446 HydrophobicContact CZ-CG 3.71Å; F368-F446 HydrophobicContact CZ-CZ 4.39Å; F368-H448 AromaticContact CD2-CE1 3.39Å; F368-H448 WeakPolarHBondContact CD2-CE1 3.42Å; F368-H448 AromaticContact CD2-NE2 3.68Å; F368-H448 AromaticContact CE2-CE1 3.43Å; F368-H448 VanDerWaalsContact CE2-CE1 3.43Å; F368-H448 WeakPolarHBondContact CE2-CE1 3.43Å; F368-H448 AromaticContact CE2-NE2 3.65Å; F368-H448 AromaticContact CG-CE1 3.77Å; F368-H448 AromaticContact CZ-CE1 3.88Å; F368-H448 PolarHBondContact N-CE1 3.28Å; F368-E534 WeakPolarHBondContact CD2-OE2 3.39Å |
| 369 | P | 88.8 | Confident | 75.4 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | trans | -58.9 | 136.8 | 167.6 | -22.3 | 33.9 | 0 | 0 | 0 | 110.7 | P54 A56 A387 A391 N396 | P54-P369 HydrophobicContact CG-CG 3.8Å; P54-P369 WeakPolarHBondContact O-CD 3.36Å; A56-P369 HydrophobicContact CB-CB 4.5Å; A56-P369 HydrophobicContact CB-CG 4.25Å; P369-A387 HydrophobicContact CB-CB 4.14Å; P369-A387 WeakPolarHBondContact CB-O 3.18Å; P369-A387 HydrophobicContact CG-CB 4.14Å; P369-A391 HydrophobicContact CB-CB 4.09Å; P369-A391 VanDerWaalsContact O-CA 3.29Å; P369-A391 WeakPolarHBondContact O-CA 3.47Å; P369-N396 PolarHBondContact O-ND2 3.4Å | ||
| 370 | T | 85.1 | Confident | 75.3 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | trans | -125.4 | 156.3 | 173.8 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | F368 S372 M373 L374 N398 | F368-T370 PolarHBondContact O-N 3.08Å; T370-S372 PolarHBondContact O-N 3.46Å; T370-S372 PolarHBondContact OG1-OG 3.3Å; T370-S372 VanDerWaalsContact OG1-OG 3.12Å; T370-M373 HydrophobicContact CG2-SD 4.49Å; T370-M373 PolarHBondContact O-N 3.36Å; T370-M373 WeakPolarHBondContact OG1-CG 3.37Å; T370-M373 PolarHBondContact OG1-N 3.03Å; T370-M373 PolarHBondContact OG1-SD 3.19Å; T370-M373 VanDerWaalsContact OG1-SD 3.41Å; T370-L374 WeakPolarHBondContact O-CG 3.46Å; T370-L374 PolarHBondContact O-N 3.14Å; T370-N398 HydrophobicContact CG2-CB 4.38Å | ||
| 371 | K | 79 | Confident | 75.7 | Confident | 107 Ų | 107 | 57.2 Ų | 57.2 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.4 | -178.9 | -70.1 | -177 | -179.4 | 176.2 | 0 | 113.7 | D392 | K371-D392 WeakPolarHBondContact CE-OD1 3.36Å; K371-D392 IonicContact NZ-OD1 3.15Å; K371-D392 PolarHBondContact NZ-OD1 2.93Å |
| 372 | S | 75.7 | Confident | 76.2 | Confident | 75 Ų | 75 | 61 Ų | 61 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -44.1 | 174.8 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | T370 L374 | T370-S372 PolarHBondContact O-N 3.46Å; T370-S372 PolarHBondContact OG1-OG 3.3Å; T370-S372 VanDerWaalsContact OG1-OG 3.12Å; S372-L374 PolarHBondContact O-N 3.46Å |
| 373 | M | 76.1 | Confident | 76.9 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -68.4 | -32.2 | 178.9 | -67.6 | 173.5 | 78.9 | 0 | 0 | 112.8 | A56 T370 K375 N376 L377 | A56-M373 HydrophobicContact CB-CE 3.79Å; A56-M373 HydrophobicContact CB-SD 4.49Å; A56-M373 WeakPolarHBondContact O-CE 3.43Å; T370-M373 HydrophobicContact CG2-SD 4.49Å; T370-M373 PolarHBondContact O-N 3.36Å; T370-M373 WeakPolarHBondContact OG1-CG 3.37Å; T370-M373 PolarHBondContact OG1-N 3.03Å; T370-M373 PolarHBondContact OG1-SD 3.19Å; T370-M373 VanDerWaalsContact OG1-SD 3.41Å; M373-K375 PolarHBondContact O-N 2.95Å; M373-N376 PolarHBondContact O-N 3.33Å; M373-L377 HydrophobicContact CB-CD1 4.02Å; M373-L377 WeakPolarHBondContact O-CG 3.49Å; M373-L377 PolarHBondContact O-N 3.14Å |
| 374 | L | 76.5 | Confident | 77.7 | Confident | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -55.2 | -26.9 | 179.5 | -71.8 | 178.1 | 0 | 0 | 0 | 113.5 | T370 S372 L377 A387 K388 A391 | T370-L374 WeakPolarHBondContact O-CG 3.46Å; T370-L374 PolarHBondContact O-N 3.14Å; S372-L374 PolarHBondContact O-N 3.46Å; L374-L377 HydrophobicContact CD2-CD1 3.98Å; L374-A387 HydrophobicContact CD2-CB 3.76Å; L374-K388 HydrophobicContact CD1-CB 4.18Å; L374-K388 HydrophobicContact CD1-CG 4.15Å; L374-A391 HydrophobicContact CD1-CB 3.8Å; L374-A391 HydrophobicContact CG-CB 4.29Å |
| 375 | K | 70.7 | Confident | 78.4 | Confident | 172 Ų | 172 | 63.5 Ų | 63.5 | 75% | 0.748 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -70.7 | -30.5 | 177.6 | -65.4 | -178.6 | -179.3 | 177.7 | 0 | 113.2 | M373 | M373-K375 PolarHBondContact O-N 2.95Š|
| 376 | N | 67 | Low | 78.8 | Confident | 140 Ų | 140 | 66.8 Ų | 66.8 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -5.2 | -174 | -62.3 | -19.4 | 0 | 0 | 0 | 112.7 | M373 V378 | M373-N376 PolarHBondContact O-N 3.33Å; N376-V378 PolarHBondContact O-N 3.43Å |
| 377 | L | 70 | Confident | 78.7 | Confident | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | trans | -66.7 | 126.2 | 176.3 | -92.3 | 155.4 | 0 | 0 | 0 | 110.3 | M373 L374 L384 | M373-L377 HydrophobicContact CB-CD1 4.02Å; M373-L377 WeakPolarHBondContact O-CG 3.49Å; M373-L377 PolarHBondContact O-N 3.14Å; L374-L377 HydrophobicContact CD2-CD1 3.98Å; L377-L384 HydrophobicContact CB-CD2 4.02Å; L377-L384 WeakPolarHBondContact O-CD2 3.27Å | ||
| 378 | V | 66.1 | Low | 78.6 | Confident | 148 Ų | 148 | 73 Ų | 73 | 90% | 0.897 | 41% | 0.414 | S | S | * | . | trans | -100.3 | 122.9 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | N376 | N376-V378 PolarHBondContact O-N 3.43Š| ||
| 379 | G | 73 | Confident | 78.4 | Confident | 33 Ų | 33 | 79.5 Ų | 79.5 | 34% | 0.34 | 44% | 0.443 | S | S | . | . | trans | -171.5 | 171.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 380 | T | 78.6 | Confident | 78.5 | Confident | 83 Ų | 83 | 79.8 Ų | 79.8 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | trans | -61.4 | 157.1 | 170.4 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | S382 Q383 L384 | T380-S382 PolarHBondContact O-N 2.84Å; T380-S382 VanDerWaalsContact O-N 3.12Å; T380-Q383 WeakPolarHBondContact O-CB 3.46Å; T380-Q383 PolarHBondContact O-N 3.27Å; T380-Q383 VanDerWaalsContact OG1-CG 3.28Å; T380-Q383 WeakPolarHBondContact OG1-CG 2.88Å; T380-Q383 PolarHBondContact OG1-N 3.12Å; T380-Q383 PolarHBondContact OG1-OE1 2.79Å; T380-L384 PolarHBondContact O-N 3.47Å | ||
| 381 | A | 78.7 | Confident | 78.6 | Confident | 85 Ų | 85 | 79 Ų | 79 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -54.4 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A385 | A381-A385 WeakPolarHBondContact O-CB 3.48Å; A381-A385 PolarHBondContact O-N 3.28Å |
| 382 | S | 78.8 | Confident | 78.9 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 62% | 0.622 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 174.2 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | T380 A385 E386 | T380-S382 PolarHBondContact O-N 2.84Å; T380-S382 VanDerWaalsContact O-N 3.12Å; S382-A385 PolarHBondContact O-N 3.03Å; S382-E386 WeakPolarHBondContact O-CB 3.32Å; S382-E386 PolarHBondContact O-N 3.41Å |
| 383 | Q | 78 | Confident | 79.6 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 178.1 | -74.5 | 166.9 | -41.5 | 0 | 0 | 111.9 | T380 E386 A387 | T380-Q383 WeakPolarHBondContact O-CB 3.46Å; T380-Q383 PolarHBondContact O-N 3.27Å; T380-Q383 VanDerWaalsContact OG1-CG 3.28Å; T380-Q383 WeakPolarHBondContact OG1-CG 2.88Å; T380-Q383 PolarHBondContact OG1-N 3.12Å; T380-Q383 PolarHBondContact OG1-OE1 2.79Å; Q383-E386 PolarHBondContact O-N 3.04Å; Q383-A387 VanDerWaalsContact O-CB 3.3Å; Q383-A387 WeakPolarHBondContact O-CB 3.3Å; Q383-A387 PolarHBondContact O-N 3.36Å |
| 384 | L | 80.1 | Confident | 80.3 | Confident | 63 Ų | 63 | 73 Ų | 73 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 175.9 | -71.4 | 168.6 | 0 | 0 | 0 | 112.1 | L377 T380 K388 | L377-L384 HydrophobicContact CB-CD2 4.02Å; L377-L384 WeakPolarHBondContact O-CD2 3.27Å; T380-L384 PolarHBondContact O-N 3.47Å; L384-K388 WeakPolarHBondContact O-CB 3.41Å; L384-K388 PolarHBondContact O-N 2.8Å |
| 385 | A | 82.3 | Confident | 81.1 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A381 S382 K388 K389 | A381-A385 WeakPolarHBondContact O-CB 3.48Å; A381-A385 PolarHBondContact O-N 3.28Å; S382-A385 PolarHBondContact O-N 3.03Å; A385-K388 PolarHBondContact O-N 3.49Å; A385-K389 PolarHBondContact O-N 2.88Å; A385-K389 VanDerWaalsContact O-N 3.14Å |
| 386 | E | 83 | Confident | 82.2 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 174.9 | -174.7 | 169.8 | -157.5 | 0 | 0 | 111.8 | S382 Q383 K388 K389 Y390 | S382-E386 WeakPolarHBondContact O-CB 3.32Å; S382-E386 PolarHBondContact O-N 3.41Å; Q383-E386 PolarHBondContact O-N 3.04Å; E386-K388 PolarHBondContact O-N 3.34Å; E386-K389 WeakPolarHBondContact O-CB 3.38Å; E386-K389 PolarHBondContact O-N 3.15Å; E386-Y390 HydrophobicContact CG-CD2 3.92Å; E386-Y390 HydrophobicContact CG-CE2 3.58Å; E386-Y390 WeakPolarHBondContact O-CD2 3.47Å; E386-Y390 PolarHBondContact O-N 2.93Å |
| 387 | A | 85 | Confident | 83.4 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 5% | 0.05 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.8 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P54 P369 L374 Q383 K389 Y390 A391 | P54-A387 HydrophobicContact CG-CB 4.28Å; P369-A387 HydrophobicContact CB-CB 4.14Å; P369-A387 WeakPolarHBondContact CB-O 3.18Å; P369-A387 HydrophobicContact CG-CB 4.14Å; L374-A387 HydrophobicContact CD2-CB 3.76Å; Q383-A387 VanDerWaalsContact O-CB 3.3Å; Q383-A387 WeakPolarHBondContact O-CB 3.3Å; Q383-A387 PolarHBondContact O-N 3.36Å; A387-K389 PolarHBondContact O-N 3.26Å; A387-Y390 PolarHBondContact O-N 2.86Å; A387-A391 WeakPolarHBondContact O-CB 3.39Å; A387-A391 PolarHBondContact O-N 3.09Å |
| 388 | K | 86.4 | Confident | 84.3 | Confident | 127 Ų | 127 | 55.9 Ų | 55.9 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 175.3 | -172.4 | 177.7 | 179.9 | -178.2 | 0 | 112.5 | L374 L384 A385 E386 Y390 A391 D392 | L374-K388 HydrophobicContact CD1-CB 4.18Å; L374-K388 HydrophobicContact CD1-CG 4.15Å; L384-K388 WeakPolarHBondContact O-CB 3.41Å; L384-K388 PolarHBondContact O-N 2.8Å; A385-K388 PolarHBondContact O-N 3.49Å; E386-K388 PolarHBondContact O-N 3.34Å; K388-Y390 PolarHBondContact O-N 3.05Å; K388-A391 PolarHBondContact O-N 3.39Å; K388-D392 PolarHBondContact O-N 3.41Å |
| 389 | K | 86.9 | Confident | 85.4 | Confident | 138 Ų | 138 | 49.5 Ų | 49.5 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.8 | -43.4 | 176 | -177.4 | -170.2 | 174.4 | -169.4 | 0 | 111.9 | A385 E386 A387 S393 | A385-K389 PolarHBondContact O-N 2.88Å; A385-K389 VanDerWaalsContact O-N 3.14Å; E386-K389 WeakPolarHBondContact O-CB 3.38Å; E386-K389 PolarHBondContact O-N 3.15Å; A387-K389 PolarHBondContact O-N 3.26Å; K389-S393 PolarHBondContact O-N 3.13Å |
| 390 | Y | 90.5 | Very high | 86.2 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -80.9 | -24 | 180 | -66.7 | -76.1 | 0 | 0 | 0 | 113.5 | C50 W51 N52 P53 P54 E386 A387 K388 D392 S393 N396 | C50-Y390 PolarHBondContact O-OH 3.14Å; W51-Y390 AromaticContact CD1-CE1 3.65Å; W51-Y390 HydrophobicContact CD2-CE1 4.24Å; W51-Y390 HydrophobicContact CG-CE1 4.01Å; W51-Y390 AromaticContact NE1-CD1 3.79Å; W51-Y390 AromaticContact NE1-CE1 3.67Å; N52-Y390 PolarHBondContact N-OH 3.05Å; N52-Y390 WeakPolarHBondContact O-CE2 3.29Å; N52-Y390 VanDerWaalsContact O-CZ 3.31Å; N52-Y390 PolarHBondContact O-OH 2.91Å; P53-Y390 HydrophobicContact CB-CD1 3.76Å; P53-Y390 HydrophobicContact CB-CD2 4.48Å; P53-Y390 HydrophobicContact CB-CE1 4.21Å; P53-Y390 HydrophobicContact CB-CG 3.92Å; P54-Y390 HydrophobicContact CG-CD2 4.34Å; E386-Y390 HydrophobicContact CG-CD2 3.92Å; E386-Y390 HydrophobicContact CG-CE2 3.58Å; E386-Y390 WeakPolarHBondContact O-CD2 3.47Å; E386-Y390 PolarHBondContact O-N 2.93Å; A387-Y390 PolarHBondContact O-N 2.86Å; K388-Y390 PolarHBondContact O-N 3.05Å; Y390-D392 PolarHBondContact O-N 3.45Å; Y390-S393 WeakPolarHBondContact O-CB 3.39Å; Y390-S393 PolarHBondContact O-N 3Å; Y390-N396 PolarHBondContact O-ND2 2.85Å |
| 391 | A | 87.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -27.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P369 L374 A387 K388 I399 | P369-A391 HydrophobicContact CB-CB 4.09Å; P369-A391 VanDerWaalsContact O-CA 3.29Å; P369-A391 WeakPolarHBondContact O-CA 3.47Å; L374-A391 HydrophobicContact CD1-CB 3.8Å; L374-A391 HydrophobicContact CG-CB 4.29Å; A387-A391 WeakPolarHBondContact O-CB 3.39Å; A387-A391 PolarHBondContact O-N 3.09Å; K388-A391 PolarHBondContact O-N 3.39Å; A391-I399 WeakPolarHBondContact O-CD1 3.29Å |
| 392 | D | 85.7 | Confident | 86.9 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 6.3 | 177.1 | -68.3 | -34.4 | 0 | 0 | 0 | 112.6 | K371 K388 Y390 P615 | K371-D392 WeakPolarHBondContact CE-OD1 3.36Å; K371-D392 IonicContact NZ-OD1 3.15Å; K371-D392 PolarHBondContact NZ-OD1 2.93Å; K388-D392 PolarHBondContact O-N 3.41Å; Y390-D392 PolarHBondContact O-N 3.45Å; D392-P615 HydrophobicContact CB-CB 4.24Å; D392-P615 HydrophobicContact CB-CG 3.94Å; D392-P615 WeakPolarHBondContact OD1-CG 2.95Å |
| 393 | S | 89.9 | Confident | 87.1 | Confident | 15 Ų | 15 | 37.5 Ų | 37.5 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | trans | -72.4 | 136.1 | -178.1 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | W51 K389 Y390 W395 N396 | W51-S393 PolarHBondContact NE1-OG 2.9Å; K389-S393 PolarHBondContact O-N 3.13Å; Y390-S393 WeakPolarHBondContact O-CB 3.39Å; Y390-S393 PolarHBondContact O-N 3Å; S393-W395 PolarHBondContact O-N 3Å; S393-N396 WeakPolarHBondContact O-CB 3.26Å; S393-N396 PolarHBondContact O-N 3.44Å | ||
| 394 | P | 90.9 | Very high | 86.9 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 21% | 0.208 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -20.1 | 178.1 | 27.1 | -34.8 | 0 | 0 | 0 | 113.1 | E24 P26 N396 L400 L403 | E24-P394 WeakPolarHBondContact O-CG 3.25Å; P26-P394 HydrophobicContact CG-CB 3.94Å; P394-N396 VanDerWaalsContact C-N 3.31Å; P394-L400 VanDerWaalsContact O-CD1 3.3Å; P394-L400 WeakPolarHBondContact O-CD1 3.3Å; P394-L403 HydrophobicContact CB-CD1 3.88Å; P394-L403 HydrophobicContact CB-CD2 4.27Å |
| 395 | W | 94.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2 | 173.3 | -71.8 | 89.5 | 0 | 0 | 0 | 114 | F23 P26 Y29 I45 W51 S393 L397 I444 F514 | F23-W395 AromaticContact CD1-CD1 3.63Å; F23-W395 HydrophobicContact CD1-CG 4.42Å; F23-W395 AromaticContact CD1-NE1 3.47Å; F23-W395 HydrophobicContact CD2-CD2 4.2Å; F23-W395 AromaticContact CD2-CE2 3.38Å; F23-W395 HydrophobicContact CD2-CH2 4.32Å; F23-W395 AromaticContact CD2-CZ2 3.46Å; F23-W395 HydrophobicContact CD2-CZ2 3.46Å; F23-W395 VanDerWaalsContact CD2-CZ2 3.46Å; F23-W395 AromaticContact CD2-NE1 3.44Å; F23-W395 HydrophobicContact CE1-CB 4.34Å; F23-W395 AromaticContact CE1-CD1 3.25Å; F23-W395 HydrophobicContact CE1-CD2 4.12Å; F23-W395 AromaticContact CE1-CG 3.67Å; F23-W395 HydrophobicContact CE1-CG 3.67Å; F23-W395 AromaticContact CE1-NE1 3.47Å; F23-W395 AromaticContact CE2-CD1 3.94Å; F23-W395 AromaticContact CE2-CD2 3.51Å; F23-W395 HydrophobicContact CE2-CD2 3.51Å; F23-W395 AromaticContact CE2-CE2 3.18Å; F23-W395 HydrophobicContact CE2-CE3 4.05Å; F23-W395 AromaticContact CE2-CG 3.98Å; F23-W395 HydrophobicContact CE2-CG 3.98Å; F23-W395 HydrophobicContact CE2-CH2 4.03Å; F23-W395 AromaticContact CE2-CZ2 3.47Å; F23-W395 HydrophobicContact CE2-CZ2 3.47Å; F23-W395 VanDerWaalsContact CE2-CZ2 3.47Å; F23-W395 HydrophobicContact CE2-CZ3 4.28Å; F23-W395 AromaticContact CE2-NE1 3.48Å; F23-W395 AromaticContact CG-CE2 3.93Å; F23-W395 HydrophobicContact CG-CZ2 4.28Å; F23-W395 AromaticContact CG-NE1 3.45Å; F23-W395 HydrophobicContact CZ-CB 4.15Å; F23-W395 AromaticContact CZ-CD1 3.45Å; F23-W395 VanDerWaalsContact CZ-CD1 3.45Å; F23-W395 AromaticContact CZ-CD2 3.46Å; F23-W395 HydrophobicContact CZ-CD2 3.46Å; F23-W395 VanDerWaalsContact CZ-CD2 3.46Å; F23-W395 AromaticContact CZ-CE2 3.52Å; F23-W395 HydrophobicContact CZ-CE3 4.19Å; F23-W395 AromaticContact CZ-CG 3.42Å; F23-W395 HydrophobicContact CZ-CG 3.42Å; F23-W395 VanDerWaalsContact CZ-CG 3.42Å; F23-W395 HydrophobicContact CZ-CZ2 4.27Å; F23-W395 AromaticContact CZ-NE1 3.5Å; F23-W395 PolarHBondContact O-NE1 2.98Å; P26-W395 HydrophobicContact CB-CD2 3.8Å; P26-W395 HydrophobicContact CB-CE3 4.15Å; P26-W395 HydrophobicContact CB-CG 4.37Å; P26-W395 HydrophobicContact CB-CH2 4Å; P26-W395 HydrophobicContact CB-CZ2 3.64Å; P26-W395 HydrophobicContact CB-CZ3 4.23Å; Y29-W395 HydrophobicContact CD1-CH2 4.45Å; I45-W395 HydrophobicContact CD1-CH2 4.13Å; I45-W395 HydrophobicContact CD1-CZ3 4.36Å; I45-W395 HydrophobicContact CG2-CH2 4.4Å; W51-W395 HydrophobicContact CH2-CB 4.4Å; W51-W395 HydrophobicContact CZ2-CB 3.7Å; S393-W395 PolarHBondContact O-N 3Å; W395-L397 PolarHBondContact O-N 3.45Å; W395-I444 HydrophobicContact CE3-CD1 4.45Å; W395-I444 HydrophobicContact CZ3-CD1 4.14Å; W395-F514 HydrophobicContact CB-CZ 4.18Å; W395-F514 HydrophobicContact CE3-CD2 4.23Å; W395-F514 HydrophobicContact CE3-CE1 4.17Å; W395-F514 AromaticContact CE3-CE2 3.87Å; W395-F514 HydrophobicContact CE3-CE2 3.87Å; W395-F514 AromaticContact CE3-CZ 3.83Å; W395-F514 HydrophobicContact CE3-CZ 3.83Å; W395-F514 HydrophobicContact CZ3-CD2 4.39Å; W395-F514 HydrophobicContact CZ3-CE2 4.47Å |
| 396 | N | 92.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -68.6 | 121.2 | 170.3 | -172 | -36.2 | 0 | 0 | 0 | 108.7 | F368 P369 Y390 S393 P394 N398 I399 L400 | F368-N396 WeakPolarHBondContact CB-OD1 3.35Å; P369-N396 PolarHBondContact O-ND2 3.4Å; Y390-N396 PolarHBondContact O-ND2 2.85Å; S393-N396 WeakPolarHBondContact O-CB 3.26Å; S393-N396 PolarHBondContact O-N 3.44Å; P394-N396 VanDerWaalsContact C-N 3.31Å; N396-N398 PolarHBondContact O-N 2.99Å; N396-N398 WeakPolarHBondContact OD1-CB 3.23Å; N396-N398 PolarHBondContact OD1-N 3.49Å; N396-N398 VanDerWaalsContact OD1-N 3.14Å; N396-N398 PolarHBondContact OD1-ND2 2.86Å; N396-I399 HydrophobicContact CB-CD1 4.43Å; N396-I399 HydrophobicContact CB-CG1 4.49Å; N396-I399 PolarHBondContact O-N 3.18Å; N396-L400 PolarHBondContact O-N 3.06Å |
| 397 | L | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.3 | -173.7 | -61.3 | -172.6 | 0 | 0 | 0 | 113.5 | F368 W395 I399 L400 P401 P421 I444 F446 F514 E534 V536 | F368-L397 HydrophobicContact CD2-CB 4.4Å; F368-L397 HydrophobicContact CD2-CG 4.34Å; F368-L397 HydrophobicContact CE2-CB 4.25Å; F368-L397 HydrophobicContact CE2-CD1 4.07Å; F368-L397 HydrophobicContact CE2-CG 3.7Å; F368-L397 HydrophobicContact CZ-CG 4.43Å; W395-L397 PolarHBondContact O-N 3.45Å; L397-I399 VanDerWaalsContact C-N 3.34Å; L397-L400 HydrophobicContact CD2-CD2 4.11Å; L397-P401 VanDerWaalsContact O-CD 3.24Å; L397-P401 WeakPolarHBondContact O-CD 3.24Å; L397-P421 HydrophobicContact CB-CB 4.34Å; L397-P421 HydrophobicContact CB-CG 3.87Å; L397-P421 WeakPolarHBondContact O-CG 3.28Å; L397-I444 HydrophobicContact CD2-CD1 4.47Å; L397-I444 HydrophobicContact CD2-CG1 4.35Å; L397-I444 HydrophobicContact CD2-CG2 3.69Å; L397-F446 HydrophobicContact CD1-CB 3.97Å; L397-F514 HydrophobicContact CD2-CE1 4.04Å; L397-E534 HydrophobicContact CD1-CB 4.2Å; L397-E534 HydrophobicContact CD1-CG 4.13Å; L397-E534 VanDerWaalsContact CD1-O 3.24Å; L397-E534 WeakPolarHBondContact CD1-O 3.23Å; L397-V536 HydrophobicContact CB-CB 4.47Å; L397-V536 HydrophobicContact CB-CG1 3.94Å; L397-V536 HydrophobicContact CD2-CG1 4.09Å; L397-V536 HydrophobicContact CG-CG1 4.43Å |
| 398 | N | 89.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 27 Ų | 27 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.3 | 172.9 | -59 | -86.9 | 0 | 0 | 0 | 113.3 | S366 T370 N396 | S366-N398 WeakPolarHBondContact CB-ND2 3.21Å; S366-N398 PolarHBondContact OG-ND2 3.47Å; T370-N398 HydrophobicContact CG2-CB 4.38Å; N396-N398 PolarHBondContact O-N 2.99Å; N396-N398 WeakPolarHBondContact OD1-CB 3.23Å; N396-N398 PolarHBondContact OD1-N 3.49Å; N396-N398 VanDerWaalsContact OD1-N 3.14Å; N396-N398 PolarHBondContact OD1-ND2 2.86Å |
| 399 | I | 88.4 | Confident | 87.2 | Confident | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.077 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -34.4 | -179.8 | -64.1 | 178.1 | 0 | 0 | 0 | 110.9 | A391 N396 L397 P401 L402 L403 | A391-I399 WeakPolarHBondContact O-CD1 3.29Å; N396-I399 HydrophobicContact CB-CD1 4.43Å; N396-I399 HydrophobicContact CB-CG1 4.49Å; N396-I399 PolarHBondContact O-N 3.18Å; L397-I399 VanDerWaalsContact C-N 3.34Å; I399-P401 VanDerWaalsContact C-CD 3.5Å; I399-L402 WeakPolarHBondContact O-CA 3.48Å; I399-L402 WeakPolarHBondContact O-CB 3.25Å; I399-L402 PolarHBondContact O-N 3.39Å; I399-L403 HydrophobicContact CG2-CD2 3.8Å; I399-L403 HydrophobicContact CG2-CG 4.3Å; I399-L403 PolarHBondContact O-N 3.13Å |
| 400 | L | 89.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -51.3 | -43.2 | -171.5 | -169.6 | 80 | 0 | 0 | 0 | 114.6 | P26 L27 P394 N396 L397 L402 L403 I444 I538 | P26-L400 HydrophobicContact CB-CD1 3.61Å; P26-L400 HydrophobicContact CG-CD1 3.46Å; P26-L400 VanDerWaalsContact CG-CD1 3.46Å; L27-L400 HydrophobicContact CD2-CD1 4.11Å; L27-L400 HydrophobicContact CD2-CG 4.37Å; P394-L400 VanDerWaalsContact O-CD1 3.3Å; P394-L400 WeakPolarHBondContact O-CD1 3.3Å; N396-L400 PolarHBondContact O-N 3.06Å; L397-L400 HydrophobicContact CD2-CD2 4.11Å; L400-L402 PolarHBondContact O-N 2.82Å; L400-L403 HydrophobicContact CD1-CD1 3.92Å; L400-L403 PolarHBondContact O-N 2.83Å; L400-I444 HydrophobicContact CD2-CB 4.49Å; L400-I444 HydrophobicContact CD2-CD1 4Å; L400-I444 HydrophobicContact CD2-CG2 3.5Å; L400-I538 HydrophobicContact CD2-CD1 4.39Å; L400-I538 HydrophobicContact CD2-CG2 3.73Å; L400-I538 HydrophobicContact CG-CG2 3.97Å |
| 401 | P | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -67.7 | -13 | 176.7 | -19.7 | 33.5 | 0 | 0 | 0 | 114.6 | L397 I399 S406 V536 | L397-P401 VanDerWaalsContact O-CD 3.24Å; L397-P401 WeakPolarHBondContact O-CD 3.24Å; I399-P401 VanDerWaalsContact C-CD 3.5Å; P401-S406 WeakPolarHBondContact O-CB 3.25Å; P401-S406 PolarHBondContact O-OG 3.47Å; P401-V536 HydrophobicContact CG-CB 4.42Å; P401-V536 HydrophobicContact CG-CG1 4.05Å; P401-V536 HydrophobicContact CG-CG2 3.48Å; P401-V536 VanDerWaalsContact CG-CG2 3.48Å |
| 402 | L | 83.9 | Confident | 86.1 | Confident | 28 Ų | 28 | 19.1 Ų | 19.1 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -100.9 | -7.8 | -175.9 | -53.3 | 179.5 | 0 | 0 | 0 | 113.7 | I399 L400 R409 P614 C617 | I399-L402 WeakPolarHBondContact O-CA 3.48Å; I399-L402 WeakPolarHBondContact O-CB 3.25Å; I399-L402 PolarHBondContact O-N 3.39Å; L400-L402 PolarHBondContact O-N 2.82Å; L402-R409 HydrophobicContact CD2-CB 4.41Å; L402-R409 WeakPolarHBondContact O-CD 3.44Å; L402-P614 HydrophobicContact CD1-CG 4.23Å; L402-C617 PolarHBondContact O-SG 3.34Å |
| 403 | L | 83.1 | Confident | 85.2 | Confident | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -66.9 | 161.1 | 179.4 | -65.1 | 179.4 | 0 | 0 | 0 | 112.6 | P26 L27 P394 I399 L400 R405 S406 | P26-L403 HydrophobicContact CG-CD1 3.51Å; L27-L403 HydrophobicContact CD1-CB 3.73Å; L27-L403 HydrophobicContact CD1-CD1 4.49Å; L27-L403 HydrophobicContact CG-CB 4.4Å; L27-L403 HydrophobicContact CG-CD1 4.31Å; P394-L403 HydrophobicContact CB-CD1 3.88Å; P394-L403 HydrophobicContact CB-CD2 4.27Å; I399-L403 HydrophobicContact CG2-CD2 3.8Å; I399-L403 HydrophobicContact CG2-CG 4.3Å; I399-L403 PolarHBondContact O-N 3.13Å; L400-L403 HydrophobicContact CD1-CD1 3.92Å; L400-L403 PolarHBondContact O-N 2.83Å; L403-R405 VanDerWaalsContact C-N 3.29Å; L403-R405 PolarHBondContact O-N 2.93Å; L403-R405 VanDerWaalsContact O-N 3.1Å; L403-S406 WeakPolarHBondContact O-CB 3.23Å; L403-S406 PolarHBondContact O-N 2.84Å |
| 404 | D | 73.5 | Confident | 84.1 | Confident | 42 Ų | 42 | 21.6 Ų | 21.6 | 23% | 0.225 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.4 | -165.2 | -72.4 | -21.9 | 0 | 0 | 0 | 116.5 | R409 C617 S618 | D404-R409 VanDerWaalsContact CA-CZ 3.48Å; D404-R409 PolarHBondContact O-NH2 3.5Å; D404-R409 IonicContact OD1-CZ 3.6Å; D404-R409 IonicContact OD1-NH1 2.66Å; D404-R409 PolarHBondContact OD1-NH1 2.94Å; D404-R409 IonicContact OD1-NH2 3.02Å; D404-C617 WeakPolarHBondContact OD1-CA 3.31Å; D404-S618 VanDerWaalsContact CG-N 3.28Å; D404-S618 VanDerWaalsContact CG-OG 3.26Å; D404-S618 PolarHBondContact OD1-N 3.44Å; D404-S618 WeakPolarHBondContact OD2-CB 3.19Å; D404-S618 PolarHBondContact OD2-N 2.88Å; D404-S618 PolarHBondContact OD2-OG 3.46Å |
| 405 | R | 78.9 | Confident | 83.3 | Confident | 56 Ų | 56 | 20.7 Ų | 20.7 | 21% | 0.211 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -4.3 | 179.3 | -59.8 | -179.8 | -176.6 | -83.4 | 6.6 | 113.6 | D25 L27 L403 L540 P541 D623 | D25-R405 IonicContact OD2-NE 3.79Å; L27-R405 HydrophobicContact CB-CB 3.88Å; L27-R405 HydrophobicContact CB-CG 4.46Å; L27-R405 HydrophobicContact CD1-CB 3.77Å; L27-R405 HydrophobicContact CG-CB 4.5Å; L403-R405 VanDerWaalsContact C-N 3.29Å; L403-R405 PolarHBondContact O-N 2.93Å; L403-R405 VanDerWaalsContact O-N 3.1Å; R405-L540 HydrophobicContact CB-CD2 4.22Å; R405-P541 WeakPolarHBondContact O-CD 3.49Å; R405-D623 IonicContact NH1-OD2 3.28Å; R405-D623 PolarHBondContact NH1-OD2 3.07Å; R405-D623 VanDerWaalsContact NH1-OD2 3.1Å |
| 406 | S | 87.6 | Confident | 81.9 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | trans | -85.9 | 123.1 | 177 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | P401 L403 L408 R409 C539 | P401-S406 WeakPolarHBondContact O-CB 3.25Å; P401-S406 PolarHBondContact O-OG 3.47Å; L403-S406 WeakPolarHBondContact O-CB 3.23Å; L403-S406 PolarHBondContact O-N 2.84Å; S406-L408 VanDerWaalsContact C-N 3.28Å; S406-L408 PolarHBondContact OG-N 2.91Å; S406-R409 WeakPolarHBondContact O-CG 3.24Å; S406-C539 CarbonylContact C-O 3.43Å; S406-C539 WeakPolarHBondContact CA-O 3.39Å | ||
| 407 | V | 88.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -75.4 | -18.9 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | R409 F410 C539 P541 W543 L568 L572 | V407-R409 PolarHBondContact O-N 3.31Å; V407-R409 VanDerWaalsContact O-N 3.17Å; V407-F410 PolarHBondContact O-N 3.49Å; V407-C539 HydrophobicContact CG2-CB 3.4Å; V407-C539 WeakPolarHBondContact CG2-O 3.21Å; V407-C539 PolarHBondContact N-O 3.38Å; V407-P541 HydrophobicContact CG1-CG 4.44Å; V407-W543 HydrophobicContact CG2-CE3 3.86Å; V407-W543 HydrophobicContact CG2-CZ3 4Å; V407-L568 HydrophobicContact CG2-CD2 4.16Å; V407-L568 WeakPolarHBondContact O-CD1 3.5Å; V407-L572 HydrophobicContact CB-CD1 4.18Å; V407-L572 HydrophobicContact CB-CD2 4.38Å; V407-L572 HydrophobicContact CG1-CD1 4.04Å; V407-L572 HydrophobicContact CG1-CD2 4.25Å |
| 408 | L | 87.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -61.4 | -26.8 | -179.9 | -64.4 | -175.4 | 0 | 0 | 0 | 112.4 | S406 F410 I411 M418 K419 N537 C539 | S406-L408 VanDerWaalsContact C-N 3.28Å; S406-L408 PolarHBondContact OG-N 2.91Å; L408-F410 PolarHBondContact O-N 3.28Å; L408-F410 VanDerWaalsContact O-N 3.1Å; L408-I411 HydrophobicContact CD2-CD1 3.51Å; L408-I411 PolarHBondContact O-N 3.29Å; L408-I411 VanDerWaalsContact O-N 3.11Å; L408-M418 HydrophobicContact CD2-CE 3.99Å; L408-K419 WeakPolarHBondContact O-CE 3.39Å; L408-N537 HydrophobicContact CD1-CB 4.39Å; L408-N537 WeakPolarHBondContact CD1-O 3.26Å; L408-C539 HydrophobicContact CD2-CB 3.98Å; L408-C539 HydrophobicContact CG-CB 3.94Å |
| 409 | R | 82.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -59.3 | -23.1 | 179.3 | 79.7 | -174.5 | 172.9 | 154.1 | -8.6 | 113.8 | L402 D404 S406 V407 L586 T589 C617 | L402-R409 HydrophobicContact CD2-CB 4.41Å; L402-R409 WeakPolarHBondContact O-CD 3.44Å; D404-R409 VanDerWaalsContact CA-CZ 3.48Å; D404-R409 PolarHBondContact O-NH2 3.5Å; D404-R409 IonicContact OD1-CZ 3.6Å; D404-R409 IonicContact OD1-NH1 2.66Å; D404-R409 PolarHBondContact OD1-NH1 2.94Å; D404-R409 IonicContact OD1-NH2 3.02Å; S406-R409 WeakPolarHBondContact O-CG 3.24Å; V407-R409 PolarHBondContact O-N 3.31Å; V407-R409 VanDerWaalsContact O-N 3.17Å; R409-L586 HydrophobicContact CB-CD2 3.77Å; R409-L586 HydrophobicContact CG-CD2 3.91Å; R409-T589 PolarHBondContact O-OG1 3.47Å; R409-C617 PolarHBondContact NH1-SG 3.25Å |
| 410 | F | 84.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -93.2 | -4 | -178.9 | -59.1 | -76.3 | 0 | 0 | 0 | 114.4 | V407 L408 L568 T571 L572 V575 P582 I585 L622 | V407-F410 PolarHBondContact O-N 3.49Å; L408-F410 PolarHBondContact O-N 3.28Å; L408-F410 VanDerWaalsContact O-N 3.1Å; F410-L568 HydrophobicContact CB-CD1 3.89Å; F410-T571 HydrophobicContact CB-CG2 4.16Å; F410-L572 HydrophobicContact CB-CD2 4.39Å; F410-L572 HydrophobicContact CD2-CD2 3.34Å; F410-L572 HydrophobicContact CE2-CD2 3.68Å; F410-L572 HydrophobicContact CG-CD2 3.96Å; F410-V575 HydrophobicContact CD1-CG2 4.19Å; F410-V575 HydrophobicContact CE1-CB 4.49Å; F410-V575 HydrophobicContact CE1-CG1 4.07Å; F410-V575 HydrophobicContact CE1-CG2 3.97Å; F410-V575 HydrophobicContact CZ-CG1 4.27Å; F410-P582 HydrophobicContact CE1-CB 4.47Å; F410-I585 HydrophobicContact CD1-CB 4.36Å; F410-I585 HydrophobicContact CD1-CG2 4.03Å; F410-L622 HydrophobicContact CE2-CD2 3.93Å; F410-L622 HydrophobicContact CZ-CD2 4.4Å |
| 411 | I | 83.5 | Confident | 79.5 | Confident | 12 Ų | 12 | 22.1 Ų | 22.1 | 6% | 0.062 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.4 | 138.4 | 175.5 | -58.9 | 171.9 | 0 | 0 | 0 | 109.4 | L408 I415 K419 F563 L568 T589 | L408-I411 HydrophobicContact CD2-CD1 3.51Å; L408-I411 PolarHBondContact O-N 3.29Å; L408-I411 VanDerWaalsContact O-N 3.11Å; I411-I415 HydrophobicContact CG2-CD1 3.56Å; I411-K419 WeakPolarHBondContact O-CE 3.5Å; I411-K419 PolarHBondContact O-NZ 3.46Å; I411-F563 HydrophobicContact CD1-CD1 3.9Å; I411-F563 HydrophobicContact CD1-CD2 3.79Å; I411-F563 HydrophobicContact CD1-CE1 3.73Å; I411-F563 HydrophobicContact CD1-CE2 3.62Å; I411-F563 HydrophobicContact CD1-CG 3.94Å; I411-F563 HydrophobicContact CD1-CZ 3.6Å; I411-F563 HydrophobicContact CG1-CD2 4.23Å; I411-F563 HydrophobicContact CG1-CE2 4.33Å; I411-F563 HydrophobicContact CG2-CB 3.97Å; I411-F563 HydrophobicContact CG2-CD2 4.45Å; I411-F563 HydrophobicContact CG2-CG 4.1Å; I411-L568 HydrophobicContact CD1-CD2 4.2Å; I411-L568 HydrophobicContact CG1-CD1 3.88Å; I411-L568 HydrophobicContact CG1-CD2 4.09Å; I411-L568 HydrophobicContact CG1-CG 4.41Å; I411-T589 WeakPolarHBondContact O-CB 3.17Å; I411-T589 WeakPolarHBondContact O-CG2 3.43Å |
| 412 | K | 72.7 | Confident | 79.5 | Confident | 96 Ų | 96 | 23.8 Ų | 23.8 | 42% | 0.417 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -70.9 | 138.7 | 178 | -65.5 | -179.6 | -175.5 | 174.9 | 0 | 112.6 | E567 T589 D662 | K412-E567 IonicContact NZ-OE1 2.73Å; K412-T589 HydrophobicContact CG-CG2 4.08Å; K412-D662 IonicContact NZ-OD2 2.76Å; K412-D662 PolarHBondContact NZ-OD2 2.87Å |
| 413 | G | 67.6 | Low | 79.8 | Confident | 35 Ų | 35 | 22.4 Ų | 22.4 | 36% | 0.361 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 77.5 | 170.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K419 T589 | G413-K419 WeakPolarHBondContact O-CD 3.39Å; G413-K419 WeakPolarHBondContact O-CE 3.35Å; G413-K419 PolarHBondContact O-NZ 2.57Å; G413-T589 CarbonylContact C-O 3.56Å; G413-T589 PolarHBondContact N-O 3.08Å |
| 414 | N | 66.5 | Low | 80.3 | Confident | 82 Ų | 82 | 24.9 Ų | 24.9 | 44% | 0.439 | 13% | 0.126 | S | C | . | . | trans | -93 | 108.1 | 171.1 | -73.6 | -29 | 0 | 0 | 0 | 108.7 | I420 | N414-I420 HydrophobicContact CB-CD1 3.56Å; N414-I420 HydrophobicContact CB-CG1 4.02Å | ||
| 415 | I | 74.3 | Confident | 81.3 | Confident | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | trans | -86.7 | 119.1 | 173.5 | -60.8 | 169.9 | 0 | 0 | 0 | 107.6 | I411 G417 M418 K419 V562 F563 | I411-I415 HydrophobicContact CG2-CD1 3.56Å; I415-G417 PolarHBondContact O-N 3.28Å; I415-M418 HydrophobicContact CB-CB 4.1Å; I415-M418 HydrophobicContact CB-CG 4.5Å; I415-M418 HydrophobicContact CG2-CB 3.88Å; I415-M418 HydrophobicContact CG2-CG 3.74Å; I415-M418 HydrophobicContact CG2-SD 3.91Å; I415-M418 PolarHBondContact O-N 3.07Å; I415-K419 PolarHBondContact O-N 2.87Å; I415-V562 HydrophobicContact CD1-CG1 4.15Å; I415-V562 HydrophobicContact CG1-CG1 4.49Å; I415-V562 HydrophobicContact CG2-CG1 3.4Å; I415-F563 HydrophobicContact CD1-CB 4.06Å; I415-F563 HydrophobicContact CD1-CD1 3.77Å; I415-F563 HydrophobicContact CD1-CG 4.24Å | ||
| 416 | D | 64.4 | Low | 82 | Confident | 44 Ų | 44 | 20.3 Ų | 20.3 | 24% | 0.235 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 133.4 | -179.8 | -71.7 | -52.1 | 0 | 0 | 0 | 111.5 | H360 M418 W422 | H360-D416 IonicContact CE1-OD1 2.87Å; H360-D416 PolarHBondContact CE1-OD1 3.49Å; H360-D416 IonicContact CE1-OD2 3.51Å; H360-D416 PolarHBondContact CE1-OD2 3.37Å; H360-D416 IonicContact ND1-OD1 3.52Å; H360-D416 PolarHBondContact ND1-OD1 2.9Å; H360-D416 IonicContact ND1-OD2 2.83Å; D416-M418 PolarHBondContact O-N 3.28Å; D416-M418 VanDerWaalsContact O-N 3.16Å; D416-W422 HydrophobicContact CB-CH2 4.37Å; D416-W422 HydrophobicContact CB-CZ2 3.82Å |
| 417 | G | 67.1 | Low | 82.5 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -31.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I415 I420 W422 V536 N537 | I415-G417 PolarHBondContact O-N 3.28Å; G417-I420 CarbonylContact C-O 3.58Å; G417-I420 WeakPolarHBondContact CA-O 3.39Å; G417-I420 PolarHBondContact N-O 3.43Å; G417-W422 VanDerWaalsContact N-NE1 3.18Å; G417-V536 WeakPolarHBondContact O-CA 3.46Å; G417-N537 PolarHBondContact O-N 3.44Å; G417-N537 PolarHBondContact O-OD1 3.26Å |
| 418 | M | 81.1 | Confident | 82.8 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -49.1 | 179.6 | -59.9 | -162.8 | 76.5 | 0 | 0 | 112.2 | L408 I415 D416 V536 N537 V562 F563 | L408-M418 HydrophobicContact CD2-CE 3.99Å; I415-M418 HydrophobicContact CB-CB 4.1Å; I415-M418 HydrophobicContact CB-CG 4.5Å; I415-M418 HydrophobicContact CG2-CB 3.88Å; I415-M418 HydrophobicContact CG2-CG 3.74Å; I415-M418 HydrophobicContact CG2-SD 3.91Å; I415-M418 PolarHBondContact O-N 3.07Å; D416-M418 PolarHBondContact O-N 3.28Å; D416-M418 VanDerWaalsContact O-N 3.16Å; M418-V536 WeakPolarHBondContact O-CG2 3.43Å; M418-N537 HydrophobicContact CB-CB 4.4Å; M418-N537 HydrophobicContact CE-CB 4.42Å; M418-N537 HydrophobicContact CG-CB 4.42Å; M418-V562 HydrophobicContact SD-CB 4.48Å; M418-V562 HydrophobicContact SD-CG1 4.21Å; M418-F563 HydrophobicContact CE-CE1 3.77Å; M418-F563 HydrophobicContact SD-CD1 4.22Å; M418-F563 HydrophobicContact SD-CE1 3.81Å |
| 419 | K | 82.1 | Confident | 83.2 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -34.1 | 176.6 | -73.4 | -179.3 | 168.7 | -169 | 0 | 112.8 | L408 I411 G413 I415 N590 | L408-K419 WeakPolarHBondContact O-CE 3.39Å; I411-K419 WeakPolarHBondContact O-CE 3.5Å; I411-K419 PolarHBondContact O-NZ 3.46Å; G413-K419 WeakPolarHBondContact O-CD 3.39Å; G413-K419 WeakPolarHBondContact O-CE 3.35Å; G413-K419 PolarHBondContact O-NZ 2.57Å; I415-K419 PolarHBondContact O-N 2.87Å; K419-N590 PolarHBondContact NZ-OD1 2.91Å |
| 420 | I | 83.4 | Confident | 83.9 | Confident | 27 Ų | 27 | 20.3 Ų | 20.3 | 14% | 0.138 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -99.9 | 124.1 | 178.3 | -63.3 | -179.5 | 0 | 0 | 0 | 107.9 | S361 N414 G417 | S361-I420 VanDerWaalsContact OG-CG2 3.24Å; S361-I420 WeakPolarHBondContact OG-CG2 3.31Å; N414-I420 HydrophobicContact CB-CD1 3.56Å; N414-I420 HydrophobicContact CB-CG1 4.02Å; G417-I420 CarbonylContact C-O 3.58Å; G417-I420 WeakPolarHBondContact CA-O 3.39Å; G417-I420 PolarHBondContact N-O 3.43Å |
| 421 | P | 88.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 144.8 | 178.5 | -22.1 | 32.2 | 0 | 0 | 0 | 113.3 | S361 L397 E534 A535 V536 | S361-P421 WeakPolarHBondContact CB-O 3.42Å; S361-P421 PolarHBondContact N-O 3.39Å; S361-P421 PolarHBondContact OG-O 3.29Å; L397-P421 HydrophobicContact CB-CB 4.34Å; L397-P421 HydrophobicContact CB-CG 3.87Å; L397-P421 WeakPolarHBondContact O-CG 3.28Å; P421-E534 HydrophobicContact CB-CG 3.62Å; P421-E534 VanDerWaalsContact CB-OE1 3.26Å; P421-E534 WeakPolarHBondContact CB-OE1 3.16Å; P421-A535 CarbonylContact C-O 3.49Å; P421-A535 WeakPolarHBondContact CA-O 3.34Å; P421-V536 HydrophobicContact CB-CB 4.25Å; P421-V536 HydrophobicContact CG-CB 4.17Å; P421-V536 HydrophobicContact CG-CG2 4.25Å |
| 422 | W | 88.9 | Confident | 84.7 | Confident | 35 Ų | 35 | 21.9 Ų | 21.9 | 13% | 0.133 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 140.4 | 167.4 | -70.3 | 113.5 | 0 | 0 | 0 | 110.8 | D358 I359 H360 D416 G417 Y424 E534 A535 | D358-W422 VanDerWaalsContact CA-CZ3 3.44Å; D358-W422 HydrophobicContact CB-CD2 4.19Å; D358-W422 HydrophobicContact CB-CE3 3.82Å; D358-W422 HydrophobicContact CB-CH2 3.84Å; D358-W422 HydrophobicContact CB-CZ2 4.28Å; D358-W422 HydrophobicContact CB-CZ3 3.62Å; D358-W422 WeakPolarHBondContact O-CZ3 3.15Å; I359-W422 VanDerWaalsContact C-CE3 3.5Å; I359-W422 VanDerWaalsContact N-CE3 3.34Å; H360-W422 HydrophobicContact CB-CZ3 4.43Å; H360-W422 AromaticContact CD2-CH2 3.9Å; H360-W422 AromaticContact CD2-CZ3 3.43Å; H360-W422 VanDerWaalsContact CD2-CZ3 3.43Å; H360-W422 WeakPolarHBondContact CD2-CZ3 3.39Å; H360-W422 AromaticContact CE1-CH2 3.1Å; H360-W422 WeakPolarHBondContact CE1-CH2 3.31Å; H360-W422 AromaticContact CE1-CZ2 3.87Å; H360-W422 AromaticContact CE1-CZ3 3.38Å; H360-W422 WeakPolarHBondContact CE1-CZ3 3.48Å; H360-W422 AromaticContact CG-CZ3 3.52Å; H360-W422 AromaticContact ND1-CH2 3.62Å; H360-W422 AromaticContact ND1-CZ3 3.5Å; H360-W422 AromaticContact NE2-CH2 3.29Å; H360-W422 VanDerWaalsContact NE2-CH2 3.29Å; H360-W422 WeakPolarHBondContact NE2-CH2 3.35Å; H360-W422 AromaticContact NE2-CZ3 3.36Å; H360-W422 WeakPolarHBondContact NE2-CZ3 3.43Å; D416-W422 HydrophobicContact CB-CH2 4.37Å; D416-W422 HydrophobicContact CB-CZ2 3.82Å; G417-W422 VanDerWaalsContact N-NE1 3.18Å; W422-Y424 HydrophobicContact CB-CE2 3.79Å; W422-E534 CarbonylContact O-C 3.6Å; W422-E534 VanDerWaalsContact O-CA 3.31Å; W422-E534 WeakPolarHBondContact O-CA 3.4Å; W422-A535 PolarHBondContact N-O 3.16Å; W422-A535 PolarHBondContact O-N 3.3Å |
| 423 | C | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.7 | 170.7 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | I359 F532 A533 | I359-C423 HydrophobicContact CB-CB 4.25Å; I359-C423 PolarHBondContact N-O 3.48Å; I359-C423 PolarHBondContact O-N 2.92Å; C423-F532 HydrophobicContact CB-CE1 4.34Å; C423-F532 HydrophobicContact CB-CE2 4.13Å; C423-F532 HydrophobicContact CB-CZ 3.64Å; C423-A533 CarbonylContact C-O 3.49Å; C423-A533 WeakPolarHBondContact CA-O 3.05Å |
| 424 | Y | 92.8 | Very high | 86.8 | Confident | 59 Ų | 59 | 15.8 Ų | 15.8 | 23% | 0.231 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.7 | -179.9 | -58.2 | -84.1 | 0 | 0 | 0 | 110.2 | G356 A357 W422 A533 A535 | G356-Y424 CarbonylContact O-C 3.58Å; G356-Y424 WeakPolarHBondContact O-CA 2.92Å; A357-Y424 HydrophobicContact CB-CD1 3.75Å; A357-Y424 HydrophobicContact CB-CE1 4.05Å; W422-Y424 HydrophobicContact CB-CE2 3.79Å; Y424-A533 PolarHBondContact N-O 3.26Å; Y424-A533 PolarHBondContact O-N 3.46Å; Y424-A535 HydrophobicContact CD2-CB 4.44Å; Y424-A535 HydrophobicContact CE2-CB 3.77Å |
| 425 | V | 94.2 | Very high | 88 | Confident | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.012 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 113.5 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | F62 F64 L309 F312 G356 I359 F530 F532 | F62-V425 HydrophobicContact CE1-CG2 4.15Å; F64-V425 HydrophobicContact CD1-CG2 4.37Å; F64-V425 HydrophobicContact CE1-CB 4.26Å; F64-V425 HydrophobicContact CE1-CG1 4.1Å; F64-V425 HydrophobicContact CE1-CG2 3.95Å; F64-V425 HydrophobicContact CE2-CB 4.14Å; F64-V425 HydrophobicContact CE2-CG1 4.44Å; F64-V425 HydrophobicContact CE2-CG2 4.37Å; F64-V425 HydrophobicContact CZ-CB 3.77Å; F64-V425 HydrophobicContact CZ-CG1 3.65Å; F64-V425 HydrophobicContact CZ-CG2 3.95Å; L309-V425 HydrophobicContact CD1-CB 4.3Å; L309-V425 HydrophobicContact CD1-CG1 3.48Å; L309-V425 VanDerWaalsContact CD1-CG1 3.48Å; L309-V425 HydrophobicContact CD1-CG2 3.79Å; F312-V425 HydrophobicContact CD1-CG1 3.68Å; F312-V425 HydrophobicContact CE1-CG1 3.76Å; F312-V425 HydrophobicContact CG-CG1 4.42Å; G356-V425 PolarHBondContact N-O 2.93Å; G356-V425 PolarHBondContact O-N 2.78Å; I359-V425 HydrophobicContact CD1-CG2 4.14Å; V425-F530 HydrophobicContact CG1-CE2 3.98Å; V425-F532 HydrophobicContact CG2-CD2 3.94Å; V425-F532 HydrophobicContact CG2-CE2 4.2Å |
| 426 | G | 94.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 152 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | S430 G529 F530 N531 | G426-S430 WeakPolarHBondContact CA-OG 3.37Å; G426-G529 CarbonylContact C-O 3.55Å; G426-F530 VanDerWaalsContact O-CA 3.29Å; G426-F530 WeakPolarHBondContact O-CA 3.18Å; G426-F530 WeakPolarHBondContact O-CD2 3.34Å; G426-N531 WeakPolarHBondContact CA-OD1 3.38Å; G426-N531 PolarHBondContact N-O 3.22Å; G426-N531 PolarHBondContact N-OD1 2.85Å; G426-N531 PolarHBondContact O-N 3.37Å; G426-N531 VanDerWaalsContact O-N 3.12Å |
| 427 | M | 96.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | trans | -124.1 | 172.4 | 159.3 | 74.8 | -179.6 | -77.5 | 0 | 0 | 110.5 | F312 M315 A316 F319 V353 E354 F429 S430 N527 G529 | F312-M427 HydrophobicContact CE1-CB 3.97Å; F312-M427 HydrophobicContact CZ-CB 4Å; F312-M427 HydrophobicContact CZ-CG 4.33Å; F312-M427 HydrophobicContact CZ-SD 4.32Å; M315-M427 HydrophobicContact CE-SD 4.01Å; M315-M427 HydrophobicContact SD-CE 3.99Å; M315-M427 HydrophobicContact SD-SD 4.19Å; A316-M427 HydrophobicContact CB-CB 3.59Å; F319-M427 HydrophobicContact CB-CE 3.83Å; F319-M427 HydrophobicContact CD1-CE 3.57Å; F319-M427 HydrophobicContact CD2-CE 4.09Å; F319-M427 HydrophobicContact CE1-CE 4.12Å; F319-M427 HydrophobicContact CG-CE 3.56Å; V353-M427 HydrophobicContact CB-CE 4.43Å; V353-M427 HydrophobicContact CB-CG 4.26Å; V353-M427 HydrophobicContact CB-SD 3.96Å; V353-M427 HydrophobicContact CG1-CE 4.42Å; E354-M427 HydrophobicContact CB-SD 4.14Å; E354-M427 PolarHBondContact N-SD 2.89Å; E354-M427 WeakPolarHBondContact O-CG 3.37Å; M427-F429 PolarHBondContact O-N 2.88Å; M427-S430 PolarHBondContact N-OG 2.98Å; M427-S430 WeakPolarHBondContact O-CB 3.28Å; M427-S430 PolarHBondContact O-N 3.45Å; M427-S430 PolarHBondContact O-OG 3.4Å; M427-N527 WeakPolarHBondContact O-CB 3.37Å; M427-G529 CarbonylContact C-O 3.58Å; M427-G529 WeakPolarHBondContact CA-O 3.45Å | ||
| 428 | V | 96.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 133.9 | 177 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | F319 K320 F324 V336 S430 N527 | F319-V428 HydrophobicContact CD1-CG1 3.42Å; F319-V428 VanDerWaalsContact CD1-CG1 3.42Å; F319-V428 HydrophobicContact CE1-CG1 3.69Å; K320-V428 HydrophobicContact CB-CB 4.22Å; K320-V428 HydrophobicContact CB-CG1 3.77Å; K320-V428 HydrophobicContact CD-CB 4.09Å; K320-V428 HydrophobicContact CD-CG2 4.19Å; K320-V428 HydrophobicContact CG-CB 4.22Å; K320-V428 HydrophobicContact CG-CG1 4.19Å; K320-V428 HydrophobicContact CG-CG2 4.26Å; F324-V428 HydrophobicContact CE2-CG2 4.26Å; V336-V428 HydrophobicContact CG1-CG2 3.87Å; V428-S430 PolarHBondContact O-N 2.84Å; V428-S430 VanDerWaalsContact O-N 3.1Å; V428-N527 WeakPolarHBondContact CA-O 3.38Å |
| 429 | F | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -9.6 | -175.8 | -44.9 | -49.9 | 0 | 0 | 0 | 117.2 | L71 F319 Y323 F324 V336 E339 F340 I343 V351 V353 M427 S431 N527 | L71-F429 HydrophobicContact CD1-CB 3.61Å; L71-F429 HydrophobicContact CD1-CD2 4.27Å; L71-F429 HydrophobicContact CD1-CG 4.14Å; L71-F429 HydrophobicContact CD2-CB 4.48Å; F319-F429 HydrophobicContact CE1-CD2 4.14Å; F319-F429 HydrophobicContact CE1-CE2 4.34Å; Y323-F429 HydrophobicContact CD1-CE2 4.08Å; Y323-F429 HydrophobicContact CD1-CZ 4.11Å; Y323-F429 HydrophobicContact CD2-CE2 4.28Å; Y323-F429 AromaticContact CE1-CE2 3.99Å; Y323-F429 HydrophobicContact CE1-CE2 3.99Å; Y323-F429 AromaticContact CE1-CZ 3.88Å; Y323-F429 HydrophobicContact CE1-CZ 3.88Å; Y323-F429 HydrophobicContact CE2-CE2 4.18Å; Y323-F429 HydrophobicContact CG-CE2 4.24Å; F324-F429 HydrophobicContact CE2-CE1 4.41Å; F324-F429 HydrophobicContact CE2-CE2 4.46Å; F324-F429 AromaticContact CE2-CZ 3.78Å; F324-F429 HydrophobicContact CE2-CZ 3.78Å; F324-F429 HydrophobicContact CZ-CE1 4.08Å; F324-F429 AromaticContact CZ-CZ 3.62Å; F324-F429 HydrophobicContact CZ-CZ 3.62Å; V336-F429 HydrophobicContact CG1-CD1 3.94Å; V336-F429 HydrophobicContact CG1-CE1 3.62Å; E339-F429 HydrophobicContact CB-CE1 4.47Å; E339-F429 HydrophobicContact CG-CE1 4.34Å; E339-F429 HydrophobicContact CG-CZ 3.99Å; F340-F429 HydrophobicContact CB-CD1 4.07Å; F340-F429 HydrophobicContact CB-CE1 4.39Å; F340-F429 HydrophobicContact CD2-CB 4.09Å; F340-F429 HydrophobicContact CD2-CD1 4.15Å; F340-F429 WeakPolarHBondContact CE2-O 3.15Å; I343-F429 HydrophobicContact CD1-CD2 4.28Å; I343-F429 HydrophobicContact CD1-CE1 4.29Å; I343-F429 HydrophobicContact CD1-CE2 3.94Å; I343-F429 HydrophobicContact CD1-CZ 3.93Å; V351-F429 HydrophobicContact CG1-CD2 4.32Å; V353-F429 HydrophobicContact CG1-CB 4.13Å; V353-F429 HydrophobicContact CG1-CD2 4.5Å; M427-F429 PolarHBondContact O-N 2.88Å; F429-S431 PolarHBondContact O-N 3.33Å; F429-N527 PolarHBondContact N-O 3.13Å |
| 430 | S | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -57.8 | 132.4 | 170.8 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | G426 M427 V428 F526 N527 | G426-S430 WeakPolarHBondContact CA-OG 3.37Å; M427-S430 PolarHBondContact N-OG 2.98Å; M427-S430 WeakPolarHBondContact O-CB 3.28Å; M427-S430 PolarHBondContact O-N 3.45Å; M427-S430 PolarHBondContact O-OG 3.4Å; V428-S430 PolarHBondContact O-N 2.84Å; V428-S430 VanDerWaalsContact O-N 3.1Å; S430-F526 CarbonylContact O-C 3.59Å; S430-F526 VanDerWaalsContact O-CA 3.22Å; S430-F526 WeakPolarHBondContact O-CA 3.39Å; S430-F526 WeakPolarHBondContact O-CB 3.02Å; S430-N527 PolarHBondContact O-N 2.66Å; S430-N527 PolarHBondContact O-ND2 3.11Å; S430-N527 PolarHBondContact OG-ND2 2.74Å | ||
| 431 | S | 93.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 13.2 Ų | 13.2 | 4% | 0.035 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.7 | -163.4 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | Q69 L74 F429 G525 | Q69-S431 PolarHBondContact NE2-O 2.88Å; Q69-S431 PolarHBondContact OE1-O 3.25Å; Q69-S431 PolarHBondContact OE1-OG 3.32Å; L74-S431 WeakPolarHBondContact CD1-OG 3.04Å; F429-S431 PolarHBondContact O-N 3.33Å; S431-G525 CarbonylContact C-O 3.49Å; S431-G525 VanDerWaalsContact CA-O 3.28Å; S431-G525 WeakPolarHBondContact CA-O 3.48Å; S431-G525 VanDerWaalsContact CB-O 3.31Å; S431-G525 WeakPolarHBondContact CB-O 3.44Å |
| 432 | F | 92.8 | Very high | 92.9 | Very high | 41 Ų | 41 | 13.2 Ų | 13.2 | 18% | 0.18 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125 | 167.5 | 54.4 | -82.9 | 0 | 0 | 0 | 107.6 | H435 K453 W455 A524 G525 | F432-H435 AromaticContact CD2-CE1 3.89Å; F432-K453 HydrophobicContact CE1-CD 3.96Å; F432-K453 HydrophobicContact CE1-CG 4.08Å; F432-K453 HydrophobicContact CZ-CD 4.47Å; F432-W455 HydrophobicContact CE2-CD2 4.3Å; F432-W455 AromaticContact CE2-CE3 3.66Å; F432-W455 HydrophobicContact CE2-CE3 3.66Å; F432-W455 HydrophobicContact CE2-CH2 4.29Å; F432-W455 AromaticContact CE2-CZ3 3.65Å; F432-W455 HydrophobicContact CE2-CZ3 3.65Å; F432-W455 AromaticContact CZ-CD2 3.68Å; F432-W455 HydrophobicContact CZ-CD2 3.68Å; F432-W455 AromaticContact CZ-CE3 3.51Å; F432-W455 HydrophobicContact CZ-CE3 3.51Å; F432-W455 HydrophobicContact CZ-CG 4.35Å; F432-W455 HydrophobicContact CZ-CH2 4.05Å; F432-W455 HydrophobicContact CZ-CZ2 4.21Å; F432-W455 AromaticContact CZ-CZ3 3.71Å; F432-W455 HydrophobicContact CZ-CZ3 3.71Å; F432-A524 WeakPolarHBondContact CE2-O 3.28Å; F432-A524 WeakPolarHBondContact O-CA 3.4Å; F432-G525 VanDerWaalsContact CE1-C 3.48Å; F432-G525 PolarHBondContact N-O 2.94Å; F432-G525 PolarHBondContact O-N 3.38Å |
| 433 | C | 91.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.007 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 170.3 | -175.6 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | H435 I488 N491 | C433-H435 PolarHBondContact O-N 3.12Å; C433-H435 PolarHBondContact O-ND1 3.03Å; C433-I488 HydrophobicContact CB-CG2 4.36Å; C433-N491 VanDerWaalsContact CA-OD1 3.25Å; C433-N491 WeakPolarHBondContact CA-OD1 3.11Å; C433-N491 PolarHBondContact SG-ND2 3.21Å; C433-N491 VanDerWaalsContact SG-ND2 3.44Å |
| 434 | W | 92.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.008 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 121.7 | 175.8 | -70.7 | 112.9 | 0 | 0 | 0 | 112.2 | Y456 V458 F466 N491 I492 P494 L497 I504 H523 A524 | W434-Y456 VanDerWaalsContact CH2-CB 3.44Å; W434-V458 HydrophobicContact CH2-CG2 3.99Å; W434-V458 HydrophobicContact CZ3-CG2 3.86Å; W434-F466 HydrophobicContact CB-CE1 4.43Å; W434-F466 HydrophobicContact CB-CZ 3.71Å; W434-F466 AromaticContact CD2-CE2 3.71Å; W434-F466 HydrophobicContact CD2-CE2 3.71Å; W434-F466 AromaticContact CD2-CZ 3.66Å; W434-F466 HydrophobicContact CD2-CZ 3.66Å; W434-F466 AromaticContact CE2-CE2 3.97Å; W434-F466 AromaticContact CE3-CE2 3.92Å; W434-F466 HydrophobicContact CE3-CE2 3.92Å; W434-F466 AromaticContact CE3-CZ 3.96Å; W434-F466 HydrophobicContact CE3-CZ 3.96Å; W434-F466 HydrophobicContact CG-CE2 4.06Å; W434-F466 AromaticContact CG-CZ 3.55Å; W434-F466 HydrophobicContact CG-CZ 3.55Å; W434-F466 HydrophobicContact CZ2-CE2 4.38Å; W434-F466 HydrophobicContact CZ3-CE2 4.33Å; W434-N491 PolarHBondContact N-OD1 3.24Å; W434-I492 PolarHBondContact NE1-O 3.44Å; W434-P494 HydrophobicContact CZ2-CG 4.44Å; W434-L497 HydrophobicContact CZ2-CD1 4.25Å; W434-I504 HydrophobicContact CH2-CD1 4.28Å; W434-I504 HydrophobicContact CH2-CG2 4.12Å; W434-I504 HydrophobicContact CZ2-CD1 4.18Å; W434-H523 WeakPolarHBondContact CA-O 3.44Å; W434-H523 VanDerWaalsContact CE3-C 3.48Å; W434-A524 HydrophobicContact CB-CB 4.4Å; W434-A524 HydrophobicContact CD2-CB 3.4Å; W434-A524 VanDerWaalsContact CD2-CB 3.4Å; W434-A524 HydrophobicContact CE3-CB 3.59Å; W434-A524 HydrophobicContact CG-CB 3.78Å; W434-A524 HydrophobicContact CH2-CB 4.37Å; W434-A524 HydrophobicContact CZ2-CB 4.21Å; W434-A524 HydrophobicContact CZ3-CB 4.07Å |
| 435 | H | 91.1 | Very high | 93.7 | Very high | 26 Ų | 26 | 9.3 Ų | 9.3 | 12% | 0.12 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 172.8 | 175.1 | 65.8 | -70.5 | 0 | 0 | 0 | 111.9 | F432 C433 I488 Y522 H523 | F432-H435 AromaticContact CD2-CE1 3.89Å; C433-H435 PolarHBondContact O-N 3.12Å; C433-H435 PolarHBondContact O-ND1 3.03Å; H435-I488 HydrophobicContact CB-CB 4.23Å; H435-I488 HydrophobicContact CB-CD1 3.88Å; H435-I488 HydrophobicContact CB-CG1 3.68Å; H435-I488 HydrophobicContact CB-CG2 3.83Å; H435-Y522 CarbonylContact O-C 3.59Å; H435-Y522 VanDerWaalsContact O-CA 3.32Å; H435-Y522 WeakPolarHBondContact O-CA 3.33Å; H435-H523 AromaticContact CD2-NE2 3.69Å; H435-H523 AromaticContact CE1-CD2 3.58Å; H435-H523 AromaticContact CE1-NE2 3.31Å; H435-H523 PolarHBondContact CE1-NE2 2.76Å; H435-H523 VanDerWaalsContact CE1-NE2 3.31Å; H435-H523 PolarHBondContact N-O 3.37Å; H435-H523 AromaticContact ND1-NE2 3.95Å; H435-H523 PolarHBondContact ND1-O 3.15Å; H435-H523 AromaticContact NE2-CD2 3.91Å; H435-H523 AromaticContact NE2-CE1 3.93Å; H435-H523 AromaticContact NE2-NE2 3.15Å; H435-H523 PolarHBondContact NE2-NE2 3.26Å; H435-H523 VanDerWaalsContact NE2-NE2 3.15Å; H435-H523 PolarHBondContact O-N 2.96Å; H435-H523 PolarHBondContact O-ND1 3.32Å |
| 436 | I | 91.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 7% | 0.067 | 5% | 0.046 | C | C | . | . | trans | -123.2 | 156.6 | 169.1 | 57.1 | -170.9 | 0 | 0 | 0 | 108.1 | W440 Y522 | I436-W440 VanDerWaalsContact CD1-CD1 3.45Å; I436-Y522 HydrophobicContact CG2-CD1 3.7Å; I436-Y522 HydrophobicContact CG2-CD2 3.82Å; I436-Y522 HydrophobicContact CG2-CE1 3.85Å; I436-Y522 HydrophobicContact CG2-CE2 3.97Å; I436-Y522 HydrophobicContact CG2-CG 3.68Å | ||
| 437 | E | 91.5 | Very high | 93.9 | Very high | 32 Ų | 32 | 9.3 Ų | 9.3 | 15% | 0.15 | 5% | 0.045 | C | C | . | . | trans | -67.4 | 151.5 | 175.7 | -56.9 | -60 | 159.1 | 0 | 0 | 111.7 | W440 S441 S443 H523 N537 | E437-W440 WeakPolarHBondContact O-CA 3.35Å; E437-W440 PolarHBondContact O-N 3.42Å; E437-S441 WeakPolarHBondContact CB-OG 3.3Å; E437-S443 WeakPolarHBondContact OE1-CB 3.38Å; E437-S443 PolarHBondContact OE1-OG 2.81Å; E437-H523 IonicContact OE1-CE1 3.24Å; E437-H523 PolarHBondContact OE1-CE1 2.86Å; E437-H523 IonicContact OE1-NE2 3.68Å; E437-H523 PolarHBondContact OE1-NE2 3.37Å; E437-N537 PolarHBondContact OE2-ND2 3.33Å | ||
| 438 | D | 87.2 | Confident | 93.9 | Very high | 42 Ų | 42 | 10.1 Ų | 10.1 | 23% | 0.225 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -56.8 | 142.2 | 173.5 | -72.7 | -32.7 | 0 | 0 | 0 | 110.3 | P214 W440 S441 R559 V562 | P214-D438 WeakPolarHBondContact CG-OD2 3.18Å; D438-W440 PolarHBondContact O-N 3.14Å; D438-S441 PolarHBondContact O-N 3.48Å; D438-S441 VanDerWaalsContact O-N 3.13Å; D438-S441 PolarHBondContact O-OG 3.39Å; D438-S441 VanDerWaalsContact O-OG 3.08Å; D438-R559 IonicContact OD1-CZ 3.74Å; D438-R559 IonicContact OD1-NH1 2.68Å; D438-R559 IonicContact OD1-NH2 3.73Å; D438-R559 PolarHBondContact OD1-NH2 2.66Å; D438-V562 HydrophobicContact CB-CG2 4.11Å |
| 439 | H | 91.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | 58 | 17.3 | -175.1 | -75 | -101 | 0 | 0 | 0 | 115 | S441 W543 C550 Y554 V562 F563 N565 | H439-S441 PolarHBondContact O-N 2.89Å; H439-W543 HydrophobicContact CB-CZ2 3.9Å; H439-W543 PolarHBondContact O-NE1 3.28Å; H439-C550 VanDerWaalsContact CA-SG 3.56Å; H439-Y554 PolarHBondContact N-OH 2.85Å; H439-V562 WeakPolarHBondContact NE2-CB 3.48Å; H439-V562 PolarHBondContact NE2-N 3.23Å; H439-V562 VanDerWaalsContact NE2-N 3.17Å; H439-F563 HydrophobicContact CB-CE1 4.46Å; H439-F563 HydrophobicContact CB-CZ 4.44Å; H439-F563 AromaticContact CD2-CE1 3.59Å; H439-F563 AromaticContact CE1-CD1 3.91Å; H439-F563 AromaticContact CE1-CE1 3.7Å; H439-F563 AromaticContact CE1-CZ 3.77Å; H439-F563 PolarHBondContact CE1-O 3.47Å; H439-F563 AromaticContact CG-CE1 3.83Å; H439-F563 AromaticContact CG-CZ 3.95Å; H439-F563 AromaticContact ND1-CE1 3.94Å; H439-F563 AromaticContact ND1-CZ 3.74Å; H439-F563 AromaticContact NE2-CD1 3.57Å; H439-F563 AromaticContact NE2-CE1 3.5Å; H439-F563 WeakPolarHBondContact NE2-CE1 3.33Å; H439-N565 PolarHBondContact CE1-OD1 2.93Å; H439-N565 PolarHBondContact ND1-OD1 3.41Å |
| 440 | W | 94.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 14 Ų | 14 | 5% | 0.053 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | 52.5 | 36.6 | -172.7 | -58.6 | -12 | 0 | 0 | 0 | 111.8 | I436 E437 D438 P519 R520 W543 I546 A549 C550 H553 | I436-W440 VanDerWaalsContact CD1-CD1 3.45Å; E437-W440 WeakPolarHBondContact O-CA 3.35Å; E437-W440 PolarHBondContact O-N 3.42Å; D438-W440 PolarHBondContact O-N 3.14Å; W440-P519 WeakPolarHBondContact O-CA 3.21Å; W440-P519 WeakPolarHBondContact O-CB 3.21Å; W440-R520 HydrophobicContact CB-CB 4.08Å; W440-R520 HydrophobicContact CD2-CB 3.94Å; W440-R520 HydrophobicContact CD2-CG 3.69Å; W440-R520 HydrophobicContact CE3-CB 4.22Å; W440-R520 HydrophobicContact CE3-CG 4.08Å; W440-R520 HydrophobicContact CG-CB 3.9Å; W440-R520 HydrophobicContact CG-CG 3.98Å; W440-R520 HydrophobicContact CZ2-CG 4.23Å; W440-R520 VanDerWaalsContact CZ2-NE 3.32Å; W440-W543 VanDerWaalsContact O-CD1 3.29Å; W440-W543 PolarHBondContact O-NE1 3.45Å; W440-I546 HydrophobicContact CB-CG2 4.06Å; W440-I546 HydrophobicContact CE3-CG2 3.78Å; W440-A549 HydrophobicContact CZ3-CB 4.08Å; W440-C550 HydrophobicContact CB-CB 4.27Å; W440-C550 HydrophobicContact CD2-CB 3.56Å; W440-C550 HydrophobicContact CE3-CB 3.62Å; W440-C550 HydrophobicContact CG-CB 3.84Å; W440-C550 HydrophobicContact CZ3-CB 4.2Å; W440-H553 HydrophobicContact CH2-CB 4.07Å; W440-H553 HydrophobicContact CZ2-CB 4.01Å; W440-H553 AromaticContact CZ2-CD2 3.81Å; W440-H553 AromaticContact CZ2-CG 3.98Å |
| 441 | S | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -70.3 | 174.8 | 177 | 60.7 | 0 | 0 | 0 | 0 | 112 | E437 D438 H439 N537 C539 | E437-S441 WeakPolarHBondContact CB-OG 3.3Å; D438-S441 PolarHBondContact O-N 3.48Å; D438-S441 VanDerWaalsContact O-N 3.13Å; D438-S441 PolarHBondContact O-OG 3.39Å; D438-S441 VanDerWaalsContact O-OG 3.08Å; H439-S441 PolarHBondContact O-N 2.89Å; S441-N537 PolarHBondContact OG-ND2 2.99Å; S441-N537 VanDerWaalsContact OG-ND2 3.17Å; S441-C539 WeakPolarHBondContact CB-SG 3.39Å | ||
| 442 | Y | 94.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 159.7 | 162.6 | -62.1 | -112.2 | 0 | 0 | 0 | 109 | R34 V516 T517 F518 P519 N537 I538 L540 D542 W543 | R34-Y442 WeakPolarHBondContact CD-OH 3.38Å; Y442-V516 HydrophobicContact CD1-CG1 4.46Å; Y442-T517 VanDerWaalsContact CA-O 3.28Å; Y442-T517 WeakPolarHBondContact CA-O 3.36Å; Y442-T517 WeakPolarHBondContact CB-O 3.41Å; Y442-F518 HydrophobicContact CD1-CD1 4.07Å; Y442-F518 HydrophobicContact CD1-CE1 4.36Å; Y442-F518 HydrophobicContact CD1-CG 4.38Å; Y442-F518 AromaticContact CE1-CD1 3.4Å; Y442-F518 HydrophobicContact CE1-CD1 3.4Å; Y442-F518 AromaticContact CE1-CE1 3.66Å; Y442-F518 HydrophobicContact CE1-CE1 3.66Å; Y442-F518 HydrophobicContact CE1-CG 4.11Å; Y442-P519 HydrophobicContact CD1-CG 4.45Å; Y442-P519 HydrophobicContact CD2-CG 3.51Å; Y442-P519 VanDerWaalsContact CE1-CD 3.48Å; Y442-P519 HydrophobicContact CE1-CG 4.21Å; Y442-P519 VanDerWaalsContact CE2-CD 3.42Å; Y442-P519 HydrophobicContact CE2-CG 3.16Å; Y442-P519 HydrophobicContact CG-CG 4.12Å; Y442-N537 VanDerWaalsContact O-CA 3.25Å; Y442-N537 WeakPolarHBondContact O-CA 3.39Å; Y442-N537 VanDerWaalsContact O-CB 3.28Å; Y442-N537 WeakPolarHBondContact O-CB 3.42Å; Y442-N537 PolarHBondContact O-ND2 2.91Å; Y442-I538 VanDerWaalsContact CB-O 3.29Å; Y442-I538 WeakPolarHBondContact CB-O 3.42Å; Y442-I538 WeakPolarHBondContact CD2-O 3.27Å; Y442-I538 HydrophobicContact CG-CG1 4.17Å; Y442-I538 PolarHBondContact N-O 2.69Å; Y442-I538 VanDerWaalsContact N-O 3.1Å; Y442-I538 PolarHBondContact O-N 3.49Å; Y442-L540 HydrophobicContact CE2-CB 4.47Å; Y442-D542 PolarHBondContact OH-OD2 2.94Å; Y442-W543 HydrophobicContact CE2-CB 4.29Å |
| 443 | S | 94.7 | Very high | 94 | Very high | 6 Ų | 6 | 14.6 Ų | 14.6 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 151.5 | 155.8 | 66.5 | 0 | 0 | 0 | 0 | 111 | E437 V516 T517 V536 | E437-S443 WeakPolarHBondContact OE1-CB 3.38Å; E437-S443 PolarHBondContact OE1-OG 2.81Å; S443-V516 CarbonylContact O-C 3.59Å; S443-V516 WeakPolarHBondContact O-CA 3.3Å; S443-T517 PolarHBondContact N-O 2.82Å; S443-T517 VanDerWaalsContact N-O 3.17Å; S443-T517 PolarHBondContact N-OG1 3.27Å; S443-T517 VanDerWaalsContact N-OG1 3.1Å; S443-T517 PolarHBondContact O-N 3.44Å; S443-T517 WeakPolarHBondContact OG-CG2 3.36Å; S443-T517 PolarHBondContact OG-OG1 3.38Å; S443-V536 WeakPolarHBondContact CA-O 3.45Å |
| 444 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.4 | 172 | -175.3 | 165.8 | 0 | 0 | 0 | 108.2 | W395 L397 L400 F514 V515 V516 A535 V536 | W395-I444 HydrophobicContact CE3-CD1 4.45Å; W395-I444 HydrophobicContact CZ3-CD1 4.14Å; L397-I444 HydrophobicContact CD2-CD1 4.47Å; L397-I444 HydrophobicContact CD2-CG1 4.35Å; L397-I444 HydrophobicContact CD2-CG2 3.69Å; L400-I444 HydrophobicContact CD2-CB 4.49Å; L400-I444 HydrophobicContact CD2-CD1 4Å; L400-I444 HydrophobicContact CD2-CG2 3.5Å; I444-F514 HydrophobicContact CD1-CD1 3.7Å; I444-F514 HydrophobicContact CD1-CE1 4.22Å; I444-F514 HydrophobicContact CD1-CG 4.35Å; I444-F514 HydrophobicContact CG1-CB 4.47Å; I444-F514 HydrophobicContact CG1-CD1 3.76Å; I444-V515 WeakPolarHBondContact CA-O 3.36Å; I444-V516 HydrophobicContact CB-CG2 4.48Å; I444-V516 HydrophobicContact CD1-CG2 4.07Å; I444-V516 HydrophobicContact CG1-CG2 4.04Å; I444-A535 CarbonylContact O-C 3.53Å; I444-A535 WeakPolarHBondContact O-CA 3.38Å; I444-A535 WeakPolarHBondContact O-CB 3.4Å; I444-V536 HydrophobicContact CG2-CG1 3.7Å; I444-V536 WeakPolarHBondContact CG2-O 3.47Å; I444-V536 PolarHBondContact N-O 3.26Å; I444-V536 PolarHBondContact O-N 3.41Å |
| 445 | N | 97.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 15 Ų | 15 | 3% | 0.032 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.5 | -179.8 | -177.7 | -74.9 | 0 | 0 | 0 | 109.1 | W455 Q509 F514 V515 E534 A535 | N445-W455 HydrophobicContact CB-CH2 3.98Å; N445-W455 HydrophobicContact CB-CZ2 3.82Å; N445-Q509 PolarHBondContact O-NE2 3.45Å; N445-Q509 VanDerWaalsContact O-NE2 3.08Å; N445-Q509 PolarHBondContact OD1-NE2 3.12Å; N445-Q509 PolarHBondContact OD1-OE1 2.83Å; N445-F514 CarbonylContact O-C 3.54Å; N445-F514 WeakPolarHBondContact O-CA 3.46Å; N445-V515 PolarHBondContact N-O 3.19Å; N445-V515 PolarHBondContact O-N 3.48Å; N445-E534 CarbonylContact C-O 3.59Å; N445-E534 WeakPolarHBondContact CA-O 3.49Å; N445-A535 HydrophobicContact CB-CB 4.06Å |
| 446 | F | 97.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.013 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.5 | 172.3 | -174.2 | -110.9 | 0 | 0 | 0 | 110.1 | W51 P53 F368 L397 H448 G512 F514 A533 E534 | W51-F446 AromaticContact CH2-CE2 3.96Å; W51-F446 HydrophobicContact CH2-CE2 3.96Å; W51-F446 AromaticContact CH2-CZ 3.98Å; W51-F446 HydrophobicContact CH2-CZ 3.98Å; W51-F446 HydrophobicContact CZ3-CD2 4.49Å; W51-F446 AromaticContact CZ3-CE2 3.55Å; W51-F446 HydrophobicContact CZ3-CE2 3.55Å; W51-F446 AromaticContact CZ3-CZ 3.63Å; W51-F446 HydrophobicContact CZ3-CZ 3.63Å; P53-F446 HydrophobicContact CG-CE1 3.99Å; P53-F446 HydrophobicContact CG-CZ 3.89Å; F368-F446 HydrophobicContact CE1-CD1 4.22Å; F368-F446 HydrophobicContact CE1-CE1 4.17Å; F368-F446 HydrophobicContact CE2-CB 4.15Å; F368-F446 AromaticContact CE2-CD1 3.71Å; F368-F446 HydrophobicContact CE2-CD1 3.71Å; F368-F446 HydrophobicContact CE2-CE1 4.42Å; F368-F446 HydrophobicContact CE2-CG 4.13Å; F368-F446 HydrophobicContact CZ-CB 4.16Å; F368-F446 AromaticContact CZ-CD1 3.32Å; F368-F446 HydrophobicContact CZ-CD1 3.32Å; F368-F446 HydrophobicContact CZ-CD2 4.4Å; F368-F446 AromaticContact CZ-CE1 3.7Å; F368-F446 HydrophobicContact CZ-CE1 3.7Å; F368-F446 AromaticContact CZ-CG 3.71Å; F368-F446 HydrophobicContact CZ-CG 3.71Å; F368-F446 HydrophobicContact CZ-CZ 4.39Å; L397-F446 HydrophobicContact CD1-CB 3.97Å; F446-H448 HydrophobicContact CD1-CB 4.48Å; F446-H448 AromaticContact CD1-CD2 3.94Å; F446-H448 AromaticContact CD1-CE1 3.65Å; F446-H448 AromaticContact CD1-CG 3.76Å; F446-H448 AromaticContact CD1-ND1 3.59Å; F446-H448 AromaticContact CD1-NE2 3.88Å; F446-H448 HydrophobicContact CE1-CB 4.41Å; F446-H448 AromaticContact CE1-CE1 3.91Å; F446-H448 AromaticContact CE1-CG 3.93Å; F446-H448 AromaticContact CE1-ND1 3.51Å; F446-H448 PolarHBondContact O-N 3.45Å; F446-G512 VanDerWaalsContact CE2-C 3.48Å; F446-G512 WeakPolarHBondContact CE2-O 3.38Å; F446-F514 HydrophobicContact CB-CD1 3.79Å; F446-F514 HydrophobicContact CB-CE1 3.67Å; F446-F514 HydrophobicContact CB-CZ 4.42Å; F446-F514 AromaticContact CD2-CD1 3.65Å; F446-F514 HydrophobicContact CD2-CD1 3.65Å; F446-F514 AromaticContact CD2-CD2 3.76Å; F446-F514 HydrophobicContact CD2-CD2 3.76Å; F446-F514 AromaticContact CD2-CE1 3.46Å; F446-F514 HydrophobicContact CD2-CE1 3.46Å; F446-F514 VanDerWaalsContact CD2-CE1 3.46Å; F446-F514 AromaticContact CD2-CE2 3.55Å; F446-F514 HydrophobicContact CD2-CE2 3.55Å; F446-F514 AromaticContact CD2-CG 3.81Å; F446-F514 HydrophobicContact CD2-CG 3.81Å; F446-F514 AromaticContact CD2-CZ 3.41Å; F446-F514 HydrophobicContact CD2-CZ 3.41Å; F446-F514 VanDerWaalsContact CD2-CZ 3.41Å; F446-F514 HydrophobicContact CE2-CD2 4.11Å; F446-F514 HydrophobicContact CE2-CE1 4.36Å; F446-F514 AromaticContact CE2-CE2 3.71Å; F446-F514 HydrophobicContact CE2-CE2 3.71Å; F446-F514 AromaticContact CE2-CZ 3.87Å; F446-F514 HydrophobicContact CE2-CZ 3.87Å; F446-F514 HydrophobicContact CG-CD1 4.16Å; F446-F514 AromaticContact CG-CE1 3.83Å; F446-F514 HydrophobicContact CG-CE1 3.83Å; F446-F514 HydrophobicContact CG-CZ 4.08Å; F446-A533 CarbonylContact O-C 3.33Å; F446-A533 VanDerWaalsContact O-CA 3.24Å; F446-A533 WeakPolarHBondContact O-CA 3.05Å; F446-E534 PolarHBondContact N-O 2.93Å; F446-E534 PolarHBondContact O-N 3.03Å |
| 447 | N | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 100.3 | 174.2 | -171.3 | 11.3 | 0 | 0 | 0 | 108.7 | W449 Q509 G512 E513 F532 | N447-W449 PolarHBondContact OD1-O 3.04Å; N447-Q509 HydrophobicContact CB-CG 3.93Å; N447-Q509 PolarHBondContact ND2-O 3.37Å; N447-Q509 VanDerWaalsContact ND2-O 3.17Å; N447-G512 PolarHBondContact O-N 3.36Å; N447-E513 PolarHBondContact N-O 2.9Å; N447-F532 PolarHBondContact OD1-O 3.38Å |
| 448 | H | 95 | Very high | 95.5 | Very high | 19 Ų | 19 | 11.6 Ų | 11.6 | 9% | 0.088 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -46.6 | -173.8 | -78.5 | -82.5 | 0 | 0 | 0 | 112.1 | F55 F368 F446 C511 F532 E534 | F55-H448 HydrophobicContact CD2-CB 3.89Å; F55-H448 HydrophobicContact CE2-CB 4.1Å; F368-H448 AromaticContact CD2-CE1 3.39Å; F368-H448 WeakPolarHBondContact CD2-CE1 3.42Å; F368-H448 AromaticContact CD2-NE2 3.68Å; F368-H448 AromaticContact CE2-CE1 3.43Å; F368-H448 VanDerWaalsContact CE2-CE1 3.43Å; F368-H448 WeakPolarHBondContact CE2-CE1 3.43Å; F368-H448 AromaticContact CE2-NE2 3.65Å; F368-H448 AromaticContact CG-CE1 3.77Å; F368-H448 AromaticContact CZ-CE1 3.88Å; F368-H448 PolarHBondContact N-CE1 3.28Å; F446-H448 HydrophobicContact CD1-CB 4.48Å; F446-H448 AromaticContact CD1-CD2 3.94Å; F446-H448 AromaticContact CD1-CE1 3.65Å; F446-H448 AromaticContact CD1-CG 3.76Å; F446-H448 AromaticContact CD1-ND1 3.59Å; F446-H448 AromaticContact CD1-NE2 3.88Å; F446-H448 HydrophobicContact CE1-CB 4.41Å; F446-H448 AromaticContact CE1-CE1 3.91Å; F446-H448 AromaticContact CE1-CG 3.93Å; F446-H448 AromaticContact CE1-ND1 3.51Å; F446-H448 PolarHBondContact O-N 3.45Å; H448-C511 PolarHBondContact O-SG 3.35Å; H448-C511 VanDerWaalsContact O-SG 3.33Å; H448-F532 HydrophobicContact CB-CD1 4.07Å; H448-F532 WeakPolarHBondContact CB-O 3.34Å; H448-F532 AromaticContact CD2-CD1 3.68Å; H448-F532 AromaticContact CD2-CE1 3.77Å; H448-F532 PolarHBondContact N-O 3.09Å; H448-E534 IonicContact CD2-OE2 3.09Å; H448-E534 IonicContact CE1-OE2 3.92Å; H448-E534 WeakPolarHBondContact NE2-CB 3.39Å; H448-E534 IonicContact NE2-OE2 3.16Å; H448-E534 PolarHBondContact NE2-OE2 3.34Å |
| 449 | W | 92 | Very high | 95.9 | Very high | 48 Ų | 48 | 9.7 Ų | 9.7 | 18% | 0.182 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 167.2 | 179.3 | 58.4 | -94.7 | 0 | 0 | 0 | 112.1 | F55 M59 L309 N447 C511 F530 N531 F532 | F55-W449 AromaticContact CD1-CD1 3.95Å; F55-W449 AromaticContact CD1-NE1 3.45Å; F55-W449 AromaticContact CD2-CD1 3.56Å; F55-W449 AromaticContact CD2-NE1 3.47Å; F55-W449 HydrophobicContact CE1-CZ2 4.31Å; F55-W449 AromaticContact CE1-NE1 3.19Å; F55-W449 AromaticContact CE2-CD1 3.77Å; F55-W449 AromaticContact CE2-NE1 3.23Å; F55-W449 AromaticContact CG-CD1 3.66Å; F55-W449 AromaticContact CG-NE1 3.57Å; F55-W449 AromaticContact CZ-CE2 3.99Å; F55-W449 HydrophobicContact CZ-CZ2 4.28Å; F55-W449 AromaticContact CZ-NE1 3.07Å; M59-W449 HydrophobicContact CE-CH2 3.76Å; M59-W449 HydrophobicContact CE-CZ2 3.91Å; M59-W449 HydrophobicContact CE-CZ3 4.46Å; L309-W449 HydrophobicContact CD1-CH2 4.48Å; L309-W449 HydrophobicContact CD1-CZ2 4.48Å; L309-W449 HydrophobicContact CD2-CH2 4.4Å; L309-W449 HydrophobicContact CD2-CZ2 3.73Å; L309-W449 HydrophobicContact CG-CH2 4.32Å; L309-W449 HydrophobicContact CG-CZ2 4.13Å; N447-W449 PolarHBondContact OD1-O 3.04Å; W449-C511 VanDerWaalsContact CA-SG 3.58Å; W449-F530 HydrophobicContact CH2-CD1 4.11Å; W449-F530 AromaticContact CH2-CE1 3.37Å; W449-F530 HydrophobicContact CH2-CE1 3.37Å; W449-F530 AromaticContact CH2-CE2 3.95Å; W449-F530 HydrophobicContact CH2-CE2 3.95Å; W449-F530 AromaticContact CH2-CZ 3.31Å; W449-F530 HydrophobicContact CH2-CZ 3.31Å; W449-F530 HydrophobicContact CZ2-CZ 4.46Å; W449-F530 AromaticContact CZ3-CD1 3.71Å; W449-F530 HydrophobicContact CZ3-CD1 3.71Å; W449-F530 AromaticContact CZ3-CE1 3.4Å; W449-F530 HydrophobicContact CZ3-CE1 3.4Å; W449-F530 HydrophobicContact CZ3-CE2 4.39Å; W449-F530 HydrophobicContact CZ3-CG 4.36Å; W449-F530 AromaticContact CZ3-CZ 3.82Å; W449-F530 HydrophobicContact CZ3-CZ 3.82Å; W449-N531 WeakPolarHBondContact O-CA 3.33Å; W449-N531 WeakPolarHBondContact O-CB 3.33Å; W449-F532 HydrophobicContact CD2-CB 4.2Å; W449-F532 HydrophobicContact CH2-CB 4.18Å; W449-F532 HydrophobicContact CZ2-CB 3.55Å; W449-F532 HydrophobicContact CZ2-CG 4.34Å; W449-F532 PolarHBondContact O-N 2.83Å |
| 450 | G | 93 | Very high | 96 | Very high | 34 Ų | 34 | 14.1 Ų | 14.1 | 35% | 0.351 | 7% | 0.07 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.1 | -164.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F530 | G450-F530 CarbonylContact C-O 3.51Å; G450-F530 VanDerWaalsContact CA-O 3.3Å; G450-F530 WeakPolarHBondContact CA-O 3.18Å |
| 451 | E | 96.1 | Very high | 96.1 | Very high | 38 Ų | 38 | 18.6 Ų | 18.6 | 18% | 0.178 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -72 | 157.7 | -177.9 | -60 | -153.1 | 70.5 | 0 | 0 | 112.4 | K320 Q528 G529 F530 N531 | K320-E451 VanDerWaalsContact CD-OE2 3.32Å; K320-E451 WeakPolarHBondContact CD-OE2 3.31Å; K320-E451 IonicContact NZ-OE1 3.99Å; K320-E451 PolarHBondContact NZ-OE1 2.97Å; K320-E451 IonicContact NZ-OE2 2.91Å; K320-E451 PolarHBondContact NZ-OE2 3.34Å; E451-Q528 HydrophobicContact CB-CB 4.31Å; E451-G529 VanDerWaalsContact OE2-CA 3.29Å; E451-G529 WeakPolarHBondContact OE2-CA 3.27Å; E451-F530 PolarHBondContact N-O 3.37Å; E451-N531 VanDerWaalsContact O-CB 3.27Å; E451-N531 WeakPolarHBondContact O-CB 3.24Å; E451-N531 PolarHBondContact O-ND2 2.8Å |
| 452 | P | 97.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 21.1 Ų | 21.1 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | trans | -62.1 | 156.5 | -174 | -22.7 | 33.5 | 0 | 0 | 0 | 114.2 | D508 Q509 Q528 | P452-D508 HydrophobicContact CB-CB 4.44Å; P452-Q509 CarbonylContact C-O 3.56Å; P452-Q509 WeakPolarHBondContact CA-O 3.37Å; P452-Q528 HydrophobicContact CB-CB 4.44Å; P452-Q528 HydrophobicContact CB-CG 4.02Å; P452-Q528 WeakPolarHBondContact O-CB 3.31Å; P452-Q528 VanDerWaalsContact O-CG 3.23Å; P452-Q528 WeakPolarHBondContact O-CG 3.34Å; P452-Q528 PolarHBondContact O-N 2.86Å | ||
| 453 | K | 98 | Very high | 96.1 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122.6 | 169.9 | -174.4 | -174.5 | -52.9 | -72.2 | 0 | 108.5 | F432 W455 Q509 N527 | F432-K453 HydrophobicContact CE1-CD 3.96Å; F432-K453 HydrophobicContact CE1-CG 4.08Å; F432-K453 HydrophobicContact CZ-CD 4.47Å; K453-W455 HydrophobicContact CD-CZ2 3.54Å; K453-W455 VanDerWaalsContact O-CD1 3.28Å; K453-Q509 HydrophobicContact CB-CB 4.37Å; K453-Q509 PolarHBondContact N-O 3.18Å; K453-Q509 WeakPolarHBondContact O-CB 3.41Å; K453-Q509 PolarHBondContact O-N 3.45Å; K453-N527 WeakPolarHBondContact CG-OD1 3.21Å; K453-N527 PolarHBondContact NZ-OD1 2.91Å |
| 454 | T | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.5 | 178.2 | -61.1 | 0 | 0 | 0 | 0 | 109.4 | Y456 D508 G525 F526 Q528 | T454-Y456 HydrophobicContact CG2-CE2 4.31Å; T454-D508 WeakPolarHBondContact CB-OD1 3.41Å; T454-D508 PolarHBondContact OG1-OD1 2.97Å; T454-G525 CarbonylContact O-C 3.13Å; T454-G525 WeakPolarHBondContact O-CA 3.48Å; T454-F526 HydrophobicContact CG2-CE1 3.77Å; T454-F526 HydrophobicContact CG2-CZ 3.9Å; T454-F526 PolarHBondContact N-O 3.43Å; T454-F526 PolarHBondContact O-N 3.15Å; T454-Q528 PolarHBondContact OG1-NE2 2.94Å |
| 455 | W | 98.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.7 | -179 | -67.1 | 80.1 | 0 | 0 | 0 | 111.1 | I42 F432 N445 K453 R506 T507 V515 T517 H523 A524 | I42-W455 HydrophobicContact CD1-CB 3.99Å; F432-W455 HydrophobicContact CE2-CD2 4.3Å; F432-W455 AromaticContact CE2-CE3 3.66Å; F432-W455 HydrophobicContact CE2-CE3 3.66Å; F432-W455 HydrophobicContact CE2-CH2 4.29Å; F432-W455 AromaticContact CE2-CZ3 3.65Å; F432-W455 HydrophobicContact CE2-CZ3 3.65Å; F432-W455 AromaticContact CZ-CD2 3.68Å; F432-W455 HydrophobicContact CZ-CD2 3.68Å; F432-W455 AromaticContact CZ-CE3 3.51Å; F432-W455 HydrophobicContact CZ-CE3 3.51Å; F432-W455 HydrophobicContact CZ-CG 4.35Å; F432-W455 HydrophobicContact CZ-CH2 4.05Å; F432-W455 HydrophobicContact CZ-CZ2 4.21Å; F432-W455 AromaticContact CZ-CZ3 3.71Å; F432-W455 HydrophobicContact CZ-CZ3 3.71Å; N445-W455 HydrophobicContact CB-CH2 3.98Å; N445-W455 HydrophobicContact CB-CZ2 3.82Å; K453-W455 HydrophobicContact CD-CZ2 3.54Å; K453-W455 VanDerWaalsContact O-CD1 3.28Å; W455-R506 CarbonylContact O-C 3.6Å; W455-R506 WeakPolarHBondContact O-CA 3.39Å; W455-R506 VanDerWaalsContact O-CB 3.29Å; W455-R506 WeakPolarHBondContact O-CB 3.33Å; W455-T507 HydrophobicContact CB-CG2 4.18Å; W455-T507 PolarHBondContact N-O 3.06Å; W455-T507 PolarHBondContact O-N 2.95Å; W455-V515 HydrophobicContact CD2-CB 4.45Å; W455-V515 HydrophobicContact CD2-CG1 3.84Å; W455-V515 HydrophobicContact CE3-CG1 4.08Å; W455-V515 HydrophobicContact CG-CG1 4.22Å; W455-V515 HydrophobicContact CG-CG2 4.46Å; W455-V515 HydrophobicContact CZ2-CB 4.31Å; W455-V515 HydrophobicContact CZ2-CG1 4.31Å; W455-V515 HydrophobicContact CZ3-CG1 4.43Å; W455-T517 HydrophobicContact CZ3-CG2 4.21Å; W455-H523 AromaticContact CZ3-CD2 3.85Å; W455-A524 CarbonylContact C-O 3.09Å |
| 456 | Y | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.1 | 165.5 | -56.3 | -74 | 0 | 0 | 0 | 108.7 | F7 P10 E337 W341 W434 T454 P494 I504 Y505 R506 H523 A524 F526 | F7-Y456 HydrophobicContact CZ-CE1 4.5Å; P10-Y456 HydrophobicContact CG-CD1 4.13Å; P10-Y456 HydrophobicContact CG-CE1 4.15Å; E337-Y456 VanDerWaalsContact CG-OH 3.3Å; E337-Y456 WeakPolarHBondContact CG-OH 3.45Å; E337-Y456 PolarHBondContact OE1-OH 2.99Å; W341-Y456 HydrophobicContact CZ2-CD2 4.09Å; W341-Y456 AromaticContact CZ2-CE2 3.53Å; W341-Y456 HydrophobicContact CZ2-CE2 3.53Å; W341-Y456 AromaticContact CZ2-CZ 4Å; W341-Y456 AromaticContact NE1-CE2 3.88Å; W341-Y456 AromaticContact NE1-CZ 3.54Å; W341-Y456 PolarHBondContact NE1-OH 2.95Å; W434-Y456 VanDerWaalsContact CH2-CB 3.44Å; T454-Y456 HydrophobicContact CG2-CE2 4.31Å; Y456-P494 HydrophobicContact CD1-CG 3.92Å; Y456-P494 HydrophobicContact CD2-CG 4.38Å; Y456-P494 HydrophobicContact CE1-CG 4.03Å; Y456-P494 HydrophobicContact CE2-CG 4.47Å; Y456-P494 HydrophobicContact CG-CG 4.11Å; Y456-I504 HydrophobicContact CD1-CG2 4.43Å; Y456-Y505 CarbonylContact C-O 3.5Å; Y456-Y505 VanDerWaalsContact CA-O 3.28Å; Y456-Y505 WeakPolarHBondContact CA-O 3.23Å; Y456-R506 HydrophobicContact CD1-CB 3.8Å; Y456-R506 HydrophobicContact CE1-CB 3.92Å; Y456-H523 CarbonylContact O-C 3.58Å; Y456-H523 WeakPolarHBondContact O-CA 3.01Å; Y456-H523 WeakPolarHBondContact O-CB 3.39Å; Y456-A524 PolarHBondContact N-O 3.47Å; Y456-A524 PolarHBondContact O-N 3.17Å; Y456-F526 HydrophobicContact CE2-CD1 4.25Å; Y456-F526 HydrophobicContact CE2-CE1 4.03Å |
| 457 | G | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y505 Y522 | G457-Y505 PolarHBondContact N-O 2.67Å; G457-Y505 PolarHBondContact O-N 3.13Å; G457-Y522 CarbonylContact C-O 3.48Å; G457-Y522 WeakPolarHBondContact CA-O 3.34Å |
| 458 | V | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 130 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | W434 H462 F466 V502 I504 A521 Y522 | W434-V458 HydrophobicContact CH2-CG2 3.99Å; W434-V458 HydrophobicContact CZ3-CG2 3.86Å; V458-H462 HydrophobicContact CG1-CB 4.04Å; V458-F466 HydrophobicContact CG1-CB 4.18Å; V458-F466 HydrophobicContact CG2-CD2 3.9Å; V458-F466 HydrophobicContact CG2-CE2 4.33Å; V458-V502 HydrophobicContact CG1-CG1 3.77Å; V458-V502 HydrophobicContact CG2-CG1 4.28Å; V458-I504 HydrophobicContact CG2-CD1 4.47Å; V458-I504 HydrophobicContact CG2-CG1 3.97Å; V458-A521 CarbonylContact O-C 3.46Å; V458-A521 WeakPolarHBondContact O-CA 3.38Å; V458-A521 VanDerWaalsContact O-CB 3.31Å; V458-A521 WeakPolarHBondContact O-CB 3.25Å; V458-Y522 PolarHBondContact N-O 3.49Å; V458-Y522 PolarHBondContact O-N 2.9Å; V458-Y522 VanDerWaalsContact O-N 3.15Å |
| 459 | S | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -63.3 | 149.2 | 177.8 | 171.1 | 0 | 0 | 0 | 0 | 112.7 | I38 K39 L461 H462 A463 | I38-S459 VanDerWaalsContact O-CB 3.29Å; I38-S459 WeakPolarHBondContact O-CB 3.5Å; I38-S459 PolarHBondContact O-OG 3.4Å; K39-S459 WeakPolarHBondContact O-CB 3.23Å; S459-L461 PolarHBondContact O-N 3.09Å; S459-L461 VanDerWaalsContact O-N 3.09Å; S459-L461 WeakPolarHBondContact OG-CB 3.22Å; S459-L461 WeakPolarHBondContact OG-CG 3.43Å; S459-L461 PolarHBondContact OG-N 3.35Å; S459-H462 CarbonylContact O-C 3.52Å; S459-H462 PolarHBondContact O-N 2.95Å; S459-A463 PolarHBondContact O-N 3.48Å | ||
| 460 | R | 94.5 | Very high | 95.2 | Very high | 94 Ų | 94 | 32 Ų | 32 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -53.5 | -25.7 | 166.8 | 65.6 | 172.9 | -77.1 | -166.7 | 0.4 | 114.5 | H462 A463 P519 R520 | R460-H462 PolarHBondContact O-N 3.09Å; R460-A463 PolarHBondContact O-N 2.92Å; R460-P519 VanDerWaalsContact CB-O 3.29Å; R460-P519 WeakPolarHBondContact CB-O 3.35Å; R460-R520 WeakPolarHBondContact CA-O 3.33Å; R460-R520 HydrophobicContact CB-CB 3.96Å |
| 461 | L | 94.8 | Very high | 95 | Very high | 107 Ų | 107 | 35 Ų | 35 | 56% | 0.56 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -66.5 | -20.1 | 177 | -59 | 178.5 | 0 | 0 | 0 | 112 | I38 S459 | I38-L461 HydrophobicContact CG2-CD1 4.31Å; I38-L461 HydrophobicContact CG2-CG 4.33Å; S459-L461 PolarHBondContact O-N 3.09Å; S459-L461 VanDerWaalsContact O-N 3.09Å; S459-L461 WeakPolarHBondContact OG-CB 3.22Å; S459-L461 WeakPolarHBondContact OG-CG 3.43Å; S459-L461 PolarHBondContact OG-N 3.35Å |
| 462 | H | 95.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 25% | 0.25 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -123.6 | 16.6 | -178 | -60.3 | -63.6 | 0 | 0 | 0 | 112.3 | V458 S459 R460 D465 F466 | V458-H462 HydrophobicContact CG1-CB 4.04Å; S459-H462 CarbonylContact O-C 3.52Å; S459-H462 PolarHBondContact O-N 2.95Å; R460-H462 PolarHBondContact O-N 3.09Å; H462-D465 HydrophobicContact CB-CB 4.39Å; H462-D465 IonicContact CG-OD2 3.71Å; H462-D465 IonicContact ND1-OD2 2.64Å; H462-D465 PolarHBondContact ND1-OD2 3Å; H462-D465 PolarHBondContact O-N 3.03Å; H462-F466 WeakPolarHBondContact O-CB 3.24Å; H462-F466 PolarHBondContact O-N 2.94Å |
| 463 | A | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S459 R460 D465 F466 E467 R520 Y522 | S459-A463 PolarHBondContact O-N 3.48Å; R460-A463 PolarHBondContact O-N 2.92Å; A463-D465 VanDerWaalsContact C-N 3.34Å; A463-D465 PolarHBondContact O-N 2.87Å; A463-F466 WeakPolarHBondContact O-CB 3.35Å; A463-F466 PolarHBondContact O-N 3.05Å; A463-E467 WeakPolarHBondContact O-CG 3.19Å; A463-E467 PolarHBondContact O-N 3.46Å; A463-R520 HydrophobicContact CB-CG 4.14Å; A463-Y522 HydrophobicContact CB-CD2 4.2Å; A463-Y522 HydrophobicContact CB-CE2 4.09Å |
| 464 | D | 92.7 | Very high | 93.4 | Very high | 90 Ų | 90 | 40 Ų | 40 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68 | -35.1 | 177.8 | -59.2 | -40.9 | 0 | 0 | 0 | 111.9 | E467 R468 R520 | D464-E467 PolarHBondContact O-N 3.35Å; D464-R468 VanDerWaalsContact O-CB 3.28Å; D464-R468 WeakPolarHBondContact O-CB 3.16Å; D464-R468 PolarHBondContact O-N 3.47Å; D464-R520 IonicContact OD1-CZ 3.9Å; D464-R520 IonicContact OD1-NH1 3.94Å; D464-R520 IonicContact OD1-NH2 3.6Å; D464-R520 PolarHBondContact OD1-NH2 2.97Å; D464-R520 IonicContact OD2-NH1 2.77Å |
| 465 | D | 94.9 | Very high | 92.7 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.5 | -59.5 | -34.5 | 0 | 0 | 0 | 110.7 | H462 A463 R468 A469 V502 | H462-D465 HydrophobicContact CB-CB 4.39Å; H462-D465 IonicContact CG-OD2 3.71Å; H462-D465 IonicContact ND1-OD2 2.64Å; H462-D465 PolarHBondContact ND1-OD2 3Å; H462-D465 PolarHBondContact O-N 3.03Å; A463-D465 VanDerWaalsContact C-N 3.34Å; A463-D465 PolarHBondContact O-N 2.87Å; D465-R468 PolarHBondContact O-N 3.46Å; D465-R468 IonicContact OD1-CZ 2.77Å; D465-R468 IonicContact OD1-NH1 3.68Å; D465-R468 PolarHBondContact OD1-NH1 3.1Å; D465-R468 IonicContact OD1-NH2 3.62Å; D465-R468 PolarHBondContact OD1-NH2 3.43Å; D465-A469 WeakPolarHBondContact O-CB 3.44Å; D465-A469 PolarHBondContact O-N 3.28Å; D465-V502 HydrophobicContact CB-CG2 4.31Å |
| 466 | F | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -49.5 | 174.3 | 174.7 | -89 | 0 | 0 | 0 | 111.9 | W434 V458 H462 A463 R468 A469 M470 L485 L497 V502 Y522 | W434-F466 HydrophobicContact CB-CE1 4.43Å; W434-F466 HydrophobicContact CB-CZ 3.71Å; W434-F466 AromaticContact CD2-CE2 3.71Å; W434-F466 HydrophobicContact CD2-CE2 3.71Å; W434-F466 AromaticContact CD2-CZ 3.66Å; W434-F466 HydrophobicContact CD2-CZ 3.66Å; W434-F466 AromaticContact CE2-CE2 3.97Å; W434-F466 AromaticContact CE3-CE2 3.92Å; W434-F466 HydrophobicContact CE3-CE2 3.92Å; W434-F466 AromaticContact CE3-CZ 3.96Å; W434-F466 HydrophobicContact CE3-CZ 3.96Å; W434-F466 HydrophobicContact CG-CE2 4.06Å; W434-F466 AromaticContact CG-CZ 3.55Å; W434-F466 HydrophobicContact CG-CZ 3.55Å; W434-F466 HydrophobicContact CZ2-CE2 4.38Å; W434-F466 HydrophobicContact CZ3-CE2 4.33Å; V458-F466 HydrophobicContact CG1-CB 4.18Å; V458-F466 HydrophobicContact CG2-CD2 3.9Å; V458-F466 HydrophobicContact CG2-CE2 4.33Å; H462-F466 WeakPolarHBondContact O-CB 3.24Å; H462-F466 PolarHBondContact O-N 2.94Å; A463-F466 WeakPolarHBondContact O-CB 3.35Å; A463-F466 PolarHBondContact O-N 3.05Å; F466-R468 VanDerWaalsContact C-N 3.3Å; F466-R468 PolarHBondContact O-N 3.09Å; F466-A469 PolarHBondContact O-N 3.19Å; F466-A469 VanDerWaalsContact O-N 3.16Å; F466-M470 HydrophobicContact CD1-CG 3.94Å; F466-M470 HydrophobicContact CD2-CG 4.45Å; F466-M470 HydrophobicContact CE1-CG 3.47Å; F466-M470 VanDerWaalsContact CE1-CG 3.47Å; F466-M470 HydrophobicContact CE1-SD 4.27Å; F466-M470 HydrophobicContact CE2-CG 4.07Å; F466-M470 HydrophobicContact CE2-SD 4.22Å; F466-M470 HydrophobicContact CG-CG 4.39Å; F466-M470 HydrophobicContact CZ-CE 4.31Å; F466-M470 HydrophobicContact CZ-CG 3.53Å; F466-M470 HydrophobicContact CZ-SD 3.75Å; F466-M470 WeakPolarHBondContact O-CB 3.2Å; F466-M470 VanDerWaalsContact O-CG 3.31Å; F466-M470 WeakPolarHBondContact O-CG 3.45Å; F466-M470 PolarHBondContact O-N 3.13Å; F466-L485 HydrophobicContact CE1-CD2 4.23Å; F466-L497 HydrophobicContact CD2-CD1 4.03Å; F466-L497 HydrophobicContact CE2-CD1 3.55Å; F466-L497 HydrophobicContact CZ-CD1 4.5Å; F466-V502 HydrophobicContact CB-CG1 3.99Å; F466-V502 HydrophobicContact CD2-CG1 4.24Å; F466-Y522 HydrophobicContact CB-CD2 4.49Å; F466-Y522 AromaticContact CD1-CD1 3.8Å; F466-Y522 HydrophobicContact CD1-CD1 3.8Å; F466-Y522 AromaticContact CD1-CD2 3.48Å; F466-Y522 HydrophobicContact CD1-CD2 3.48Å; F466-Y522 VanDerWaalsContact CD1-CD2 3.48Å; F466-Y522 HydrophobicContact CD1-CE1 4.01Å; F466-Y522 AromaticContact CD1-CE2 3.7Å; F466-Y522 HydrophobicContact CD1-CE2 3.7Å; F466-Y522 AromaticContact CD1-CG 3.53Å; F466-Y522 HydrophobicContact CD1-CG 3.53Å; F466-Y522 AromaticContact CD1-CZ 3.97Å; F466-Y522 AromaticContact CE1-CD1 3.33Å; F466-Y522 HydrophobicContact CE1-CD1 3.33Å; F466-Y522 AromaticContact CE1-CD2 3.94Å; F466-Y522 HydrophobicContact CE1-CD2 3.94Å; F466-Y522 AromaticContact CE1-CE1 3.64Å; F466-Y522 HydrophobicContact CE1-CE1 3.64Å; F466-Y522 HydrophobicContact CE1-CE2 4.21Å; F466-Y522 AromaticContact CE1-CG 3.5Å; F466-Y522 HydrophobicContact CE1-CG 3.5Å; F466-Y522 HydrophobicContact CG-CD2 4.12Å; F466-Y522 HydrophobicContact CG-CG 4.24Å; F466-Y522 HydrophobicContact CZ-CD1 4.06Å; F466-Y522 HydrophobicContact CZ-CG 4.18Å |
| 467 | E | 91.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 178.4 | -73.6 | 177.9 | -159.7 | 0 | 0 | 111.9 | A463 D464 K471 L485 R520 Y522 | A463-E467 WeakPolarHBondContact O-CG 3.19Å; A463-E467 PolarHBondContact O-N 3.46Å; D464-E467 PolarHBondContact O-N 3.35Å; E467-K471 WeakPolarHBondContact O-CB 3.46Å; E467-K471 VanDerWaalsContact O-CG 3.25Å; E467-K471 WeakPolarHBondContact O-CG 3.11Å; E467-K471 PolarHBondContact O-N 2.9Å; E467-L485 HydrophobicContact CB-CD1 4.37Å; E467-L485 HydrophobicContact CG-CD1 3.77Å; E467-R520 IonicContact OE1-NH2 3.22Å; E467-Y522 VanDerWaalsContact CD-OH 3.32Å; E467-Y522 HydrophobicContact CG-CE2 3.87Å; E467-Y522 VanDerWaalsContact CG-OH 3.25Å; E467-Y522 WeakPolarHBondContact CG-OH 3.41Å; E467-Y522 PolarHBondContact OE1-OH 3.38Å |
| 468 | R | 92.9 | Very high | 89.6 | Confident | 151 Ų | 151 | 46.4 Ų | 46.4 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.1 | -44.4 | 174.6 | -178.9 | 175.4 | 59.6 | -122.2 | -2.2 | 111.6 | D464 D465 F466 K471 K472 | D464-R468 VanDerWaalsContact O-CB 3.28Å; D464-R468 WeakPolarHBondContact O-CB 3.16Å; D464-R468 PolarHBondContact O-N 3.47Å; D465-R468 PolarHBondContact O-N 3.46Å; D465-R468 IonicContact OD1-CZ 2.77Å; D465-R468 IonicContact OD1-NH1 3.68Å; D465-R468 PolarHBondContact OD1-NH1 3.1Å; D465-R468 IonicContact OD1-NH2 3.62Å; D465-R468 PolarHBondContact OD1-NH2 3.43Å; F466-R468 VanDerWaalsContact C-N 3.3Å; F466-R468 PolarHBondContact O-N 3.09Å; R468-K471 PolarHBondContact O-N 3.34Å; R468-K472 WeakPolarHBondContact O-CB 3.32Å; R468-K472 PolarHBondContact O-N 2.57Å |
| 469 | A | 93.6 | Very high | 88.5 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D465 F466 K471 K472 H473 L497 E500 V502 | D465-A469 WeakPolarHBondContact O-CB 3.44Å; D465-A469 PolarHBondContact O-N 3.28Å; F466-A469 PolarHBondContact O-N 3.19Å; F466-A469 VanDerWaalsContact O-N 3.16Å; A469-K471 PolarHBondContact O-N 3.48Å; A469-K472 WeakPolarHBondContact O-CB 3.29Å; A469-K472 PolarHBondContact O-N 2.67Å; A469-H473 PolarHBondContact O-CD2 3.42Å; A469-H473 PolarHBondContact O-N 2.67Å; A469-L497 HydrophobicContact CB-CD2 3.79Å; A469-E500 HydrophobicContact CB-CB 4.03Å; A469-E500 HydrophobicContact CB-CG 4.36Å; A469-V502 HydrophobicContact CB-CG2 3.9Å |
| 470 | M | 90.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -48.9 | 174.8 | -71.5 | -70.1 | -73.1 | 0 | 0 | 111.4 | F466 K472 H473 A474 F478 L485 I492 L497 | F466-M470 HydrophobicContact CD1-CG 3.94Å; F466-M470 HydrophobicContact CD2-CG 4.45Å; F466-M470 HydrophobicContact CE1-CG 3.47Å; F466-M470 VanDerWaalsContact CE1-CG 3.47Å; F466-M470 HydrophobicContact CE1-SD 4.27Å; F466-M470 HydrophobicContact CE2-CG 4.07Å; F466-M470 HydrophobicContact CE2-SD 4.22Å; F466-M470 HydrophobicContact CG-CG 4.39Å; F466-M470 HydrophobicContact CZ-CE 4.31Å; F466-M470 HydrophobicContact CZ-CG 3.53Å; F466-M470 HydrophobicContact CZ-SD 3.75Å; F466-M470 WeakPolarHBondContact O-CB 3.2Å; F466-M470 VanDerWaalsContact O-CG 3.31Å; F466-M470 WeakPolarHBondContact O-CG 3.45Å; F466-M470 PolarHBondContact O-N 3.13Å; M470-K472 VanDerWaalsContact C-N 3.3Å; M470-K472 PolarHBondContact O-N 3.31Å; M470-H473 PolarHBondContact O-N 2.81Å; M470-A474 WeakPolarHBondContact O-CB 3.41Å; M470-A474 PolarHBondContact O-N 3.44Å; M470-F478 HydrophobicContact CB-CE2 4.02Å; M470-F478 HydrophobicContact CB-CZ 4.01Å; M470-F478 WeakPolarHBondContact O-CE2 3.24Å; M470-L485 HydrophobicContact CB-CD2 4.31Å; M470-L485 HydrophobicContact CE-CD2 3.65Å; M470-L485 HydrophobicContact CG-CD2 4.19Å; M470-I492 HydrophobicContact CE-CD1 4.06Å; M470-I492 HydrophobicContact CE-CG1 4.03Å; M470-I492 HydrophobicContact SD-CB 3.95Å; M470-I492 HydrophobicContact SD-CD1 3.4Å; M470-I492 WeakPolarHBondContact SD-CD1 3.18Å; M470-I492 HydrophobicContact SD-CG1 3.64Å; M470-L497 HydrophobicContact CG-CD2 4.36Å; M470-L497 HydrophobicContact SD-CD1 4.33Å; M470-L497 HydrophobicContact SD-CD2 4.09Å |
| 471 | K | 88.2 | Confident | 85.8 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -36.9 | 176.9 | -75.6 | 169.9 | -178.7 | 167.6 | 0 | 112.6 | E467 R468 A469 T475 F478 | E467-K471 WeakPolarHBondContact O-CB 3.46Å; E467-K471 VanDerWaalsContact O-CG 3.25Å; E467-K471 WeakPolarHBondContact O-CG 3.11Å; E467-K471 PolarHBondContact O-N 2.9Å; R468-K471 PolarHBondContact O-N 3.34Å; A469-K471 PolarHBondContact O-N 3.48Å; K471-T475 VanDerWaalsContact O-CA 3.23Å; K471-T475 WeakPolarHBondContact O-CA 3.36Å; K471-T475 PolarHBondContact O-N 3.21Å; K471-T475 VanDerWaalsContact O-N 3.12Å; K471-T475 PolarHBondContact O-OG1 2.81Å; K471-F478 HydrophobicContact CB-CD2 4.27Å; K471-F478 HydrophobicContact CB-CE2 4.42Å; K471-F478 HydrophobicContact CG-CB 4.47Å; K471-F478 HydrophobicContact CG-CD1 3.86Å; K471-F478 HydrophobicContact CG-CD2 3.86Å; K471-F478 HydrophobicContact CG-CE1 3.91Å; K471-F478 HydrophobicContact CG-CE2 3.94Å; K471-F478 HydrophobicContact CG-CG 3.8Å; K471-F478 HydrophobicContact CG-CZ 3.94Å |
| 472 | K | 89.6 | Confident | 84.6 | Confident | 118 Ų | 118 | 51.3 Ų | 51.3 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.4 | -176.5 | -171.7 | -177.3 | -168.4 | 0 | 112.1 | R468 A469 M470 T475 E500 | R468-K472 WeakPolarHBondContact O-CB 3.32Å; R468-K472 PolarHBondContact O-N 2.57Å; A469-K472 WeakPolarHBondContact O-CB 3.29Å; A469-K472 PolarHBondContact O-N 2.67Å; M470-K472 VanDerWaalsContact C-N 3.3Å; M470-K472 PolarHBondContact O-N 3.31Å; K472-T475 PolarHBondContact O-OG1 2.66Å; K472-E500 WeakPolarHBondContact CD-OE2 3Å; K472-E500 IonicContact NZ-OE1 2.83Å; K472-E500 PolarHBondContact NZ-OE1 3.48Å; K472-E500 IonicContact NZ-OE2 2.91Å; K472-E500 PolarHBondContact NZ-OE2 3.47Å |
| 473 | H | 86 | Confident | 83.2 | Confident | 44 Ų | 44 | 52 Ų | 52 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -83.6 | -25.3 | -177.8 | -76.3 | -73.3 | 0 | 0 | 0 | 113.7 | H77 A469 M470 I492 I496 E500 | H77-H473 AromaticContact NE2-ND1 3.89Å; A469-H473 PolarHBondContact O-CD2 3.42Å; A469-H473 PolarHBondContact O-N 2.67Å; M470-H473 PolarHBondContact O-N 2.81Å; H473-I492 HydrophobicContact CB-CD1 3.69Å; H473-I496 WeakPolarHBondContact CE1-CG2 3.31Å; H473-I496 WeakPolarHBondContact NE2-CG2 3.49Å; H473-E500 WeakPolarHBondContact NE2-CG 3.4Å; H473-E500 IonicContact NE2-OE1 3.26Å |
| 474 | A | 83 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -122.6 | 34.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A76 M470 E476 L477 F478 I492 | A76-A474 HydrophobicContact CB-CB 3.86Å; M470-A474 WeakPolarHBondContact O-CB 3.41Å; M470-A474 PolarHBondContact O-N 3.44Å; A474-E476 VanDerWaalsContact C-N 3.34Å; A474-E476 PolarHBondContact O-N 3.03Å; A474-L477 HydrophobicContact CB-CB 4.44Å; A474-L477 HydrophobicContact CB-CD1 4.26Å; A474-L477 WeakPolarHBondContact O-CB 3.23Å; A474-L477 PolarHBondContact O-N 2.83Å; A474-F478 HydrophobicContact CB-CD2 4.01Å; A474-F478 HydrophobicContact CB-CE2 4.01Å; A474-F478 WeakPolarHBondContact O-CD2 3.35Å; A474-F478 PolarHBondContact O-N 2.99Å; A474-F478 VanDerWaalsContact O-N 3.1Å; A474-I492 HydrophobicContact CB-CD1 4.49Å |
| 475 | T | 82.5 | Confident | 81.4 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.9 | -47.4 | -170.9 | -46.9 | 0 | 0 | 0 | 0 | 113.1 | K471 K472 L477 F478 D479 | K471-T475 VanDerWaalsContact O-CA 3.23Å; K471-T475 WeakPolarHBondContact O-CA 3.36Å; K471-T475 PolarHBondContact O-N 3.21Å; K471-T475 VanDerWaalsContact O-N 3.12Å; K471-T475 PolarHBondContact O-OG1 2.81Å; K472-T475 PolarHBondContact O-OG1 2.66Å; T475-L477 PolarHBondContact O-N 2.92Å; T475-F478 PolarHBondContact O-N 3.48Å; T475-F478 VanDerWaalsContact O-N 3.12Å; T475-D479 VanDerWaalsContact O-CG 3.29Å; T475-D479 PolarHBondContact O-N 2.83Å |
| 476 | E | 76.1 | Confident | 80 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.7 | -30.3 | 179.6 | -66.8 | 178.8 | -142.2 | 0 | 0 | 113.4 | I80 Y113 A474 Q480 | I80-E476 HydrophobicContact CG1-CB 4.43Å; I80-E476 HydrophobicContact CG2-CB 4.41Å; I80-E476 WeakPolarHBondContact CG2-OE2 3.47Å; Y113-E476 PolarHBondContact OH-OE1 2.87Å; A474-E476 VanDerWaalsContact C-N 3.34Å; A474-E476 PolarHBondContact O-N 3.03Å; E476-Q480 VanDerWaalsContact O-CD 3.29Å; E476-Q480 WeakPolarHBondContact O-CG 3.39Å; E476-Q480 PolarHBondContact O-N 3.49Å; E476-Q480 PolarHBondContact O-NE2 3.44Å; E476-Q480 VanDerWaalsContact O-NE2 3.17Å |
| 477 | L | 78.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.2 | -38.5 | 176.2 | -61.6 | 175.6 | 0 | 0 | 0 | 111.2 | A76 R79 I80 A474 T475 Q480 A481 L484 T490 | A76-L477 HydrophobicContact CB-CD1 4.08Å; R79-L477 HydrophobicContact CB-CD1 4.35Å; R79-L477 HydrophobicContact CG-CD2 4.16Å; I80-L477 HydrophobicContact CD1-CD1 4.37Å; I80-L477 HydrophobicContact CD1-CG 4.15Å; I80-L477 HydrophobicContact CG1-CD1 3.94Å; I80-L477 HydrophobicContact CG1-CD2 3.98Å; I80-L477 HydrophobicContact CG1-CG 3.58Å; A474-L477 HydrophobicContact CB-CB 4.44Å; A474-L477 HydrophobicContact CB-CD1 4.26Å; A474-L477 WeakPolarHBondContact O-CB 3.23Å; A474-L477 PolarHBondContact O-N 2.83Å; T475-L477 PolarHBondContact O-N 2.92Å; L477-Q480 PolarHBondContact O-N 3.05Å; L477-A481 PolarHBondContact O-N 3.21Å; L477-L484 HydrophobicContact CB-CD2 3.48Å; L477-L484 VanDerWaalsContact CB-CD2 3.48Å; L477-L484 HydrophobicContact CD1-CD2 4.24Å; L477-L484 HydrophobicContact CG-CD2 4.49Å; L477-T490 HydrophobicContact CD1-CG2 4.5Å |
| 478 | F | 75.3 | Confident | 77.8 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 7% | 0.066 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.4 | -32 | 175.5 | -80.1 | -80.3 | 0 | 0 | 0 | 113 | M470 K471 A474 T475 Q480 A481 P482 L484 L485 | M470-F478 HydrophobicContact CB-CE2 4.02Å; M470-F478 HydrophobicContact CB-CZ 4.01Å; M470-F478 WeakPolarHBondContact O-CE2 3.24Å; K471-F478 HydrophobicContact CB-CD2 4.27Å; K471-F478 HydrophobicContact CB-CE2 4.42Å; K471-F478 HydrophobicContact CG-CB 4.47Å; K471-F478 HydrophobicContact CG-CD1 3.86Å; K471-F478 HydrophobicContact CG-CD2 3.86Å; K471-F478 HydrophobicContact CG-CE1 3.91Å; K471-F478 HydrophobicContact CG-CE2 3.94Å; K471-F478 HydrophobicContact CG-CG 3.8Å; K471-F478 HydrophobicContact CG-CZ 3.94Å; A474-F478 HydrophobicContact CB-CD2 4.01Å; A474-F478 HydrophobicContact CB-CE2 4.01Å; A474-F478 WeakPolarHBondContact O-CD2 3.35Å; A474-F478 PolarHBondContact O-N 2.99Å; A474-F478 VanDerWaalsContact O-N 3.1Å; T475-F478 PolarHBondContact O-N 3.48Å; T475-F478 VanDerWaalsContact O-N 3.12Å; F478-Q480 VanDerWaalsContact C-N 3.26Å; F478-Q480 PolarHBondContact O-N 2.79Å; F478-A481 CarbonylContact O-C 3.51Å; F478-P482 VanDerWaalsContact O-CA 3.24Å; F478-P482 WeakPolarHBondContact O-CA 3.49Å; F478-P482 VanDerWaalsContact O-N 3.07Å; F478-L484 HydrophobicContact CD1-CB 4.15Å; F478-L484 HydrophobicContact CD2-CD2 4.21Å; F478-L484 HydrophobicContact CE1-CB 4.1Å; F478-L484 HydrophobicContact CE2-CD2 4.13Å; F478-L484 HydrophobicContact CG-CD2 4.47Å; F478-L484 HydrophobicContact CZ-CD2 4.34Å; F478-L485 HydrophobicContact CE1-CD1 3.84Å; F478-L485 HydrophobicContact CE1-CG 3.65Å; F478-L485 HydrophobicContact CZ-CD1 3.78Å; F478-L485 HydrophobicContact CZ-CD2 3.9Å; F478-L485 HydrophobicContact CZ-CG 3.53Å |
| 479 | D | 73.6 | Confident | 76.9 | Confident | 124 Ų | 124 | 44.4 Ų | 44.4 | 66% | 0.663 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.7 | -33.1 | 172.6 | -69.6 | -20.9 | 0 | 0 | 0 | 111.2 | T475 | T475-D479 VanDerWaalsContact O-CG 3.29Å; T475-D479 PolarHBondContact O-N 2.83Å |
| 480 | Q | 68.6 | Low | 76.3 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -78.7 | -42.9 | 176.6 | -72.2 | 167.5 | 35.1 | 0 | 0 | 112.3 | E476 L477 F478 | E476-Q480 VanDerWaalsContact O-CD 3.29Å; E476-Q480 WeakPolarHBondContact O-CG 3.39Å; E476-Q480 PolarHBondContact O-N 3.49Å; E476-Q480 PolarHBondContact O-NE2 3.44Å; E476-Q480 VanDerWaalsContact O-NE2 3.17Å; L477-Q480 PolarHBondContact O-N 3.05Å; F478-Q480 VanDerWaalsContact C-N 3.26Å; F478-Q480 PolarHBondContact O-N 2.79Å |
| 481 | A | 67 | Low | 76.2 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | trans | -134 | 91.5 | 180 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y298 L477 F478 D483 L484 | Y298-A481 HydrophobicContact CE2-CB 3.8Å; L477-A481 PolarHBondContact O-N 3.21Å; F478-A481 CarbonylContact O-C 3.51Å; A481-D483 PolarHBondContact O-N 3.42Å; A481-D483 VanDerWaalsContact O-N 3.09Å; A481-L484 HydrophobicContact CB-CB 4.27Å; A481-L484 WeakPolarHBondContact O-CB 3.19Å; A481-L484 PolarHBondContact O-N 3.32Å | ||
| 482 | P | 69.6 | Low | 76.3 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 70% | 0.695 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -24.6 | 179.1 | -27.1 | 35.8 | 0 | 0 | 0 | 113.6 | F478 | F478-P482 VanDerWaalsContact O-CA 3.24Å; F478-P482 WeakPolarHBondContact O-CA 3.49Å; F478-P482 VanDerWaalsContact O-N 3.07Å |
| 483 | D | 66.6 | Low | 76.4 | Confident | 69 Ų | 69 | 34.5 Ų | 34.5 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 13.4 | 177.6 | 65.9 | -31.2 | 0 | 0 | 0 | 113.7 | A481 L485 H486 H487 | A481-D483 PolarHBondContact O-N 3.42Å; A481-D483 VanDerWaalsContact O-N 3.09Å; D483-L485 PolarHBondContact O-N 2.74Å; D483-H486 WeakPolarHBondContact O-CA 3.38Å; D483-H486 VanDerWaalsContact O-CB 3.27Å; D483-H486 WeakPolarHBondContact O-CB 3.24Å; D483-H486 PolarHBondContact O-N 2.89Å; D483-H486 PolarHBondContact O-ND1 3.28Å; D483-H487 IonicContact OD1-CE1 2.79Å; D483-H487 PolarHBondContact OD1-CE1 3.5Å; D483-H487 IonicContact OD1-NE2 3.54Å; D483-H487 PolarHBondContact OD1-NE2 3.22Å; D483-H487 IonicContact OD2-CD2 3.32Å; D483-H487 IonicContact OD2-CE1 3.87Å; D483-H487 IonicContact OD2-NE2 3.44Å; D483-H487 PolarHBondContact OD2-NE2 2.69Å |
| 484 | L | 71.5 | Confident | 76.8 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -47.9 | -37.9 | -175.9 | -177.8 | 69.1 | 0 | 0 | 0 | 114.8 | Y298 L477 F478 A481 H486 H487 | Y298-L484 HydrophobicContact CD1-CD1 3.98Å; Y298-L484 HydrophobicContact CE1-CD1 3.45Å; Y298-L484 VanDerWaalsContact CE1-CD1 3.45Å; Y298-L484 HydrophobicContact CE2-CD1 4.33Å; L477-L484 HydrophobicContact CB-CD2 3.48Å; L477-L484 VanDerWaalsContact CB-CD2 3.48Å; L477-L484 HydrophobicContact CD1-CD2 4.24Å; L477-L484 HydrophobicContact CG-CD2 4.49Å; F478-L484 HydrophobicContact CD1-CB 4.15Å; F478-L484 HydrophobicContact CD2-CD2 4.21Å; F478-L484 HydrophobicContact CE1-CB 4.1Å; F478-L484 HydrophobicContact CE2-CD2 4.13Å; F478-L484 HydrophobicContact CG-CD2 4.47Å; F478-L484 HydrophobicContact CZ-CD2 4.34Å; A481-L484 HydrophobicContact CB-CB 4.27Å; A481-L484 WeakPolarHBondContact O-CB 3.19Å; A481-L484 PolarHBondContact O-N 3.32Å; L484-H486 PolarHBondContact O-N 2.92Å; L484-H487 WeakPolarHBondContact O-CB 3.35Å; L484-H487 PolarHBondContact O-N 3.07Å; L484-H487 VanDerWaalsContact O-N 3.09Å |
| 485 | L | 76 | Confident | 77.3 | Confident | 15 Ų | 15 | 34 Ų | 34 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -64.8 | -23.2 | 178.6 | -70.3 | 171 | 0 | 0 | 0 | 113 | F466 E467 M470 F478 D483 Y522 | F466-L485 HydrophobicContact CE1-CD2 4.23Å; E467-L485 HydrophobicContact CB-CD1 4.37Å; E467-L485 HydrophobicContact CG-CD1 3.77Å; M470-L485 HydrophobicContact CB-CD2 4.31Å; M470-L485 HydrophobicContact CE-CD2 3.65Å; M470-L485 HydrophobicContact CG-CD2 4.19Å; F478-L485 HydrophobicContact CE1-CD1 3.84Å; F478-L485 HydrophobicContact CE1-CG 3.65Å; F478-L485 HydrophobicContact CZ-CD1 3.78Å; F478-L485 HydrophobicContact CZ-CD2 3.9Å; F478-L485 HydrophobicContact CZ-CG 3.53Å; D483-L485 PolarHBondContact O-N 2.74Å; L485-Y522 HydrophobicContact CB-CE1 4.48Å; L485-Y522 HydrophobicContact CD1-CE1 4.44Å; L485-Y522 HydrophobicContact CD2-CE1 4.43Å |
| 486 | H | 66.4 | Low | 77.8 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 17% | 0.171 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -84 | -13.7 | 176.2 | -56.6 | 104.1 | 0 | 0 | 0 | 112.7 | D483 L484 I488 I557 R559 | D483-H486 WeakPolarHBondContact O-CA 3.38Å; D483-H486 VanDerWaalsContact O-CB 3.27Å; D483-H486 WeakPolarHBondContact O-CB 3.24Å; D483-H486 PolarHBondContact O-N 2.89Å; D483-H486 PolarHBondContact O-ND1 3.28Å; L484-H486 PolarHBondContact O-N 2.92Å; H486-I488 VanDerWaalsContact C-N 3.35Å; H486-I557 WeakPolarHBondContact CE1-CD1 3.32Å; H486-R559 PolarHBondContact CD2-NH1 2.86Å |
| 487 | H | 65.9 | Low | 78.7 | Confident | 54 Ų | 54 | 29.8 Ų | 29.8 | 25% | 0.25 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16 | 179.5 | -62.3 | 171.7 | 0 | 0 | 0 | 113 | Y298 D483 L484 T489 | Y298-H487 AromaticContact CD2-CE1 4Å; Y298-H487 AromaticContact CD2-ND1 3.49Å; Y298-H487 WeakPolarHBondContact CD2-ND1 3.02Å; Y298-H487 AromaticContact CG-ND1 3.69Å; D483-H487 IonicContact OD1-CE1 2.79Å; D483-H487 PolarHBondContact OD1-CE1 3.5Å; D483-H487 IonicContact OD1-NE2 3.54Å; D483-H487 PolarHBondContact OD1-NE2 3.22Å; D483-H487 IonicContact OD2-CD2 3.32Å; D483-H487 IonicContact OD2-CE1 3.87Å; D483-H487 IonicContact OD2-NE2 3.44Å; D483-H487 PolarHBondContact OD2-NE2 2.69Å; L484-H487 WeakPolarHBondContact O-CB 3.35Å; L484-H487 PolarHBondContact O-N 3.07Å; L484-H487 VanDerWaalsContact O-N 3.09Å; H487-T489 VanDerWaalsContact C-N 3.3Å; H487-T489 HydrophobicContact CB-CG2 4.31Å; H487-T489 WeakPolarHBondContact O-CG2 3.39Å; H487-T489 PolarHBondContact O-N 2.58Å |
| 488 | I | 72.5 | Confident | 79.5 | Confident | 35 Ų | 35 | 32.5 Ų | 32.5 | 18% | 0.179 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 41 | 179.1 | -36.8 | -176.2 | 0 | 0 | 0 | 112.3 | C433 H435 H486 | C433-I488 HydrophobicContact CB-CG2 4.36Å; H435-I488 HydrophobicContact CB-CB 4.23Å; H435-I488 HydrophobicContact CB-CD1 3.88Å; H435-I488 HydrophobicContact CB-CG1 3.68Å; H435-I488 HydrophobicContact CB-CG2 3.83Å; H486-I488 VanDerWaalsContact C-N 3.35Å |
| 489 | T | 73.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -123.5 | -4.4 | -177 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | R79 H487 | R79-T489 VanDerWaalsContact CZ-O 3.3Å; R79-T489 PolarHBondContact NH1-O 3.38Å; R79-T489 VanDerWaalsContact NH1-O 3.14Å; R79-T489 PolarHBondContact NH1-OG1 3.21Å; R79-T489 PolarHBondContact NH2-O 2.9Å; H487-T489 VanDerWaalsContact C-N 3.3Å; H487-T489 HydrophobicContact CB-CG2 4.31Å; H487-T489 WeakPolarHBondContact O-CG2 3.39Å; H487-T489 PolarHBondContact O-N 2.58Å | ||
| 490 | T | 81.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | trans | -120.5 | 124.4 | -169.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | L74 A76 R79 L477 | L74-T490 WeakPolarHBondContact O-CA 3.3Å; A76-T490 HydrophobicContact CB-CG2 3.54Å; R79-T490 PolarHBondContact NH1-OG1 3.34Å; L477-T490 HydrophobicContact CD1-CG2 4.5Å | ||
| 491 | N | 89.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -105.9 | 151.7 | 169.9 | -85 | -32.7 | 0 | 0 | 0 | 111.1 | L74 E75 A76 L344 C433 W434 | L74-N491 PolarHBondContact O-N 3.06Å; E75-N491 WeakPolarHBondContact CA-O 3.31Å; E75-N491 VanDerWaalsContact OE2-O 3.1Å; A76-N491 PolarHBondContact N-O 3.13Å; L344-N491 HydrophobicContact CD2-CB 4Å; C433-N491 VanDerWaalsContact CA-OD1 3.25Å; C433-N491 WeakPolarHBondContact CA-OD1 3.11Å; C433-N491 PolarHBondContact SG-ND2 3.21Å; C433-N491 VanDerWaalsContact SG-ND2 3.44Å; W434-N491 PolarHBondContact N-OD1 3.24Å |
| 492 | I | 89.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -135.2 | 135.1 | 165.4 | -60.8 | -169.1 | 0 | 0 | 0 | 106.4 | E75 A76 W434 M470 H473 A474 I496 L497 | E75-I492 WeakPolarHBondContact OE2-CA 3.47Å; A76-I492 HydrophobicContact CB-CD1 4.11Å; A76-I492 HydrophobicContact CB-CG1 3.86Å; W434-I492 PolarHBondContact NE1-O 3.44Å; M470-I492 HydrophobicContact CE-CD1 4.06Å; M470-I492 HydrophobicContact CE-CG1 4.03Å; M470-I492 HydrophobicContact SD-CB 3.95Å; M470-I492 HydrophobicContact SD-CD1 3.4Å; M470-I492 WeakPolarHBondContact SD-CD1 3.18Å; M470-I492 HydrophobicContact SD-CG1 3.64Å; H473-I492 HydrophobicContact CB-CD1 3.69Å; A474-I492 HydrophobicContact CB-CD1 4.49Å; I492-I496 HydrophobicContact CG2-CB 4.09Å; I492-I496 HydrophobicContact CG2-CD1 4.31Å; I492-I496 HydrophobicContact CG2-CG2 4.18Å; I492-L497 HydrophobicContact CB-CD1 4.38Å; I492-L497 HydrophobicContact CB-CG 4.42Å; I492-L497 HydrophobicContact CG2-CD1 4.5Å; I492-L497 HydrophobicContact CG2-CD2 4.16Å; I492-L497 HydrophobicContact CG2-CG 4.03Å | ||
| 493 | N | 91.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -52.2 | 125.7 | 177.1 | -175.8 | -39.5 | 0 | 0 | 0 | 111.2 | F7 W341 Q345 N495 I496 | F7-N493 WeakPolarHBondContact CE2-OD1 3.48Å; W341-N493 HydrophobicContact CE3-CB 3.99Å; W341-N493 HydrophobicContact CZ3-CB 4.25Å; Q345-N493 PolarHBondContact NE2-ND2 3.04Å; N493-N495 PolarHBondContact O-N 3.46Å; N493-N495 WeakPolarHBondContact OD1-CB 3.38Å; N493-N495 PolarHBondContact OD1-N 2.92Å; N493-I496 HydrophobicContact CB-CD1 4Å; N493-I496 HydrophobicContact CB-CG1 4.17Å; N493-I496 WeakPolarHBondContact O-CB 3.25Å; N493-I496 PolarHBondContact O-N 3.44Å | ||
| 494 | P | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -48.8 | -36.4 | 179.8 | -31.5 | 34.3 | 0 | 0 | 0 | 114.2 | F7 P10 W341 W434 Y456 I496 L497 Q498 I504 | F7-P494 HydrophobicContact CE2-CG 4.5Å; P10-P494 HydrophobicContact CG-CB 3.91Å; W341-P494 HydrophobicContact CH2-CG 4.18Å; W341-P494 HydrophobicContact CZ2-CG 3.63Å; W434-P494 HydrophobicContact CZ2-CG 4.44Å; Y456-P494 HydrophobicContact CD1-CG 3.92Å; Y456-P494 HydrophobicContact CD2-CG 4.38Å; Y456-P494 HydrophobicContact CE1-CG 4.03Å; Y456-P494 HydrophobicContact CE2-CG 4.47Å; Y456-P494 HydrophobicContact CG-CG 4.11Å; P494-I496 VanDerWaalsContact C-N 3.26Å; P494-I496 PolarHBondContact O-N 2.89Å; P494-L497 PolarHBondContact O-N 3.41Å; P494-L497 VanDerWaalsContact O-N 3.15Å; P494-Q498 WeakPolarHBondContact O-CG 3.4Å; P494-Q498 PolarHBondContact O-N 3.47Å; P494-I504 HydrophobicContact CB-CD1 3.92Å; P494-I504 HydrophobicContact CB-CG2 4.3Å |
| 495 | N | 94.5 | Very high | 87.9 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -30.3 | -176.9 | -68.1 | 17.8 | 0 | 0 | 0 | 112.5 | F7 V8 N493 A499 | F7-N495 WeakPolarHBondContact CE2-OD1 3.1Å; V8-N495 WeakPolarHBondContact CB-ND2 3.27Å; V8-N495 PolarHBondContact N-ND2 3Å; V8-N495 PolarHBondContact O-ND2 3.33Å; V8-N495 VanDerWaalsContact O-ND2 3.17Å; V8-N495 PolarHBondContact O-OD1 3.47Å; N493-N495 PolarHBondContact O-N 3.46Å; N493-N495 WeakPolarHBondContact OD1-CB 3.38Å; N493-N495 PolarHBondContact OD1-N 2.92Å; N495-A499 WeakPolarHBondContact O-CB 3.36Å; N495-A499 PolarHBondContact O-N 2.77Å; N495-A499 VanDerWaalsContact O-N 3.07Å |
| 496 | I | 92.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 29.3 Ų | 29.3 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.2 | -45.1 | 175.3 | -61.8 | 175.9 | 0 | 0 | 0 | 109.4 | H473 I492 N493 P494 A499 E500 | H473-I496 WeakPolarHBondContact CE1-CG2 3.31Å; H473-I496 WeakPolarHBondContact NE2-CG2 3.49Å; I492-I496 HydrophobicContact CG2-CB 4.09Å; I492-I496 HydrophobicContact CG2-CD1 4.31Å; I492-I496 HydrophobicContact CG2-CG2 4.18Å; N493-I496 HydrophobicContact CB-CD1 4Å; N493-I496 HydrophobicContact CB-CG1 4.17Å; N493-I496 WeakPolarHBondContact O-CB 3.25Å; N493-I496 PolarHBondContact O-N 3.44Å; P494-I496 VanDerWaalsContact C-N 3.26Å; P494-I496 PolarHBondContact O-N 2.89Å; I496-A499 WeakPolarHBondContact O-CB 3.45Å; I496-A499 PolarHBondContact O-N 3.2Å; I496-E500 PolarHBondContact O-N 3.17Å |
| 497 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 179.2 | -61.9 | 172.9 | 0 | 0 | 0 | 112 | W434 F466 A469 M470 I492 P494 A499 E500 G501 V502 I504 | W434-L497 HydrophobicContact CZ2-CD1 4.25Å; F466-L497 HydrophobicContact CD2-CD1 4.03Å; F466-L497 HydrophobicContact CE2-CD1 3.55Å; F466-L497 HydrophobicContact CZ-CD1 4.5Å; A469-L497 HydrophobicContact CB-CD2 3.79Å; M470-L497 HydrophobicContact CG-CD2 4.36Å; M470-L497 HydrophobicContact SD-CD1 4.33Å; M470-L497 HydrophobicContact SD-CD2 4.09Å; I492-L497 HydrophobicContact CB-CD1 4.38Å; I492-L497 HydrophobicContact CB-CG 4.42Å; I492-L497 HydrophobicContact CG2-CD1 4.5Å; I492-L497 HydrophobicContact CG2-CD2 4.16Å; I492-L497 HydrophobicContact CG2-CG 4.03Å; P494-L497 PolarHBondContact O-N 3.41Å; P494-L497 VanDerWaalsContact O-N 3.15Å; L497-A499 VanDerWaalsContact C-N 3.32Å; L497-A499 PolarHBondContact O-N 3.12Å; L497-E500 PolarHBondContact O-N 2.96Å; L497-E500 VanDerWaalsContact O-N 3.16Å; L497-G501 PolarHBondContact O-N 3.37Å; L497-V502 HydrophobicContact CB-CB 4.4Å; L497-V502 WeakPolarHBondContact O-CB 3.39Å; L497-V502 PolarHBondContact O-N 2.86Å; L497-V502 VanDerWaalsContact O-N 3.12Å; L497-I504 HydrophobicContact CB-CD1 3.65Å; L497-I504 HydrophobicContact CD1-CD1 3.91Å; L497-I504 HydrophobicContact CG-CD1 4.43Å |
| 498 | Q | 95 | Very high | 92 | Very high | 58 Ų | 58 | 26 Ų | 26 | 27% | 0.271 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 172.8 | -74.5 | -177.8 | -42.5 | 0 | 0 | 112.3 | P494 E500 G501 V502 I504 | P494-Q498 WeakPolarHBondContact O-CG 3.4Å; P494-Q498 PolarHBondContact O-N 3.47Å; Q498-E500 PolarHBondContact O-N 3.37Å; Q498-G501 PolarHBondContact O-N 3.32Å; Q498-V502 WeakPolarHBondContact CA-O 3.24Å; Q498-I504 HydrophobicContact CG-CB 4.05Å; Q498-I504 HydrophobicContact CG-CD1 4.27Å; Q498-I504 HydrophobicContact CG-CG1 4.01Å; Q498-I504 PolarHBondContact NE2-O 2.59Å |
| 499 | A | 94 | Very high | 93.2 | Very high | 86 Ų | 86 | 24.3 Ų | 24.3 | 71% | 0.711 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -65.8 | -24.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N495 I496 L497 G501 | N495-A499 WeakPolarHBondContact O-CB 3.36Å; N495-A499 PolarHBondContact O-N 2.77Å; N495-A499 VanDerWaalsContact O-N 3.07Å; I496-A499 WeakPolarHBondContact O-CB 3.45Å; I496-A499 PolarHBondContact O-N 3.2Å; L497-A499 VanDerWaalsContact C-N 3.32Å; L497-A499 PolarHBondContact O-N 3.12Å; A499-G501 VanDerWaalsContact C-N 3.26Å |
| 500 | E | 93.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 28 Ų | 28 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2.8 | 171.5 | -65.5 | -66.8 | 148.2 | 0 | 0 | 113.2 | A469 K472 H473 I496 L497 Q498 | A469-E500 HydrophobicContact CB-CB 4.03Å; A469-E500 HydrophobicContact CB-CG 4.36Å; K472-E500 WeakPolarHBondContact CD-OE2 3Å; K472-E500 IonicContact NZ-OE1 2.83Å; K472-E500 PolarHBondContact NZ-OE1 3.48Å; K472-E500 IonicContact NZ-OE2 2.91Å; K472-E500 PolarHBondContact NZ-OE2 3.47Å; H473-E500 WeakPolarHBondContact NE2-CG 3.4Å; H473-E500 IonicContact NE2-OE1 3.26Å; I496-E500 PolarHBondContact O-N 3.17Å; L497-E500 PolarHBondContact O-N 2.96Å; L497-E500 VanDerWaalsContact O-N 3.16Å; Q498-E500 PolarHBondContact O-N 3.37Å |
| 501 | G | 93.6 | Very high | 95 | Very high | 53 Ų | 53 | 31 Ų | 31 | 55% | 0.546 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | 11.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L497 Q498 A499 P503 | L497-G501 PolarHBondContact O-N 3.37Å; Q498-G501 PolarHBondContact O-N 3.32Å; A499-G501 VanDerWaalsContact C-N 3.26Å; G501-P503 WeakPolarHBondContact O-CD 3.49Å |
| 502 | V | 96.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | trans | -82.1 | 118.8 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | V458 D465 F466 A469 L497 Q498 I504 | V458-V502 HydrophobicContact CG1-CG1 3.77Å; V458-V502 HydrophobicContact CG2-CG1 4.28Å; D465-V502 HydrophobicContact CB-CG2 4.31Å; F466-V502 HydrophobicContact CB-CG1 3.99Å; F466-V502 HydrophobicContact CD2-CG1 4.24Å; A469-V502 HydrophobicContact CB-CG2 3.9Å; L497-V502 HydrophobicContact CB-CB 4.4Å; L497-V502 WeakPolarHBondContact O-CB 3.39Å; L497-V502 PolarHBondContact O-N 2.86Å; L497-V502 VanDerWaalsContact O-N 3.12Å; Q498-V502 WeakPolarHBondContact CA-O 3.24Å; V502-I504 HydrophobicContact CG1-CG1 4.32Å; V502-I504 PolarHBondContact O-N 3.15Å | ||
| 503 | P | 96.4 | Very high | 95.7 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | trans | -70.9 | 118.1 | 175.5 | -19.5 | 35.3 | 0 | 0 | 0 | 110.8 | G501 Y505 | G501-P503 WeakPolarHBondContact O-CD 3.49Å; P503-Y505 HydrophobicContact CB-CE2 4.23Å | ||
| 504 | I | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | trans | -116.5 | 133.7 | 176.6 | -55.1 | -170.2 | 0 | 0 | 0 | 108.7 | P10 P11 W434 Y456 V458 P494 L497 Q498 V502 | P10-I504 HydrophobicContact CB-CB 4.44Å; P10-I504 HydrophobicContact CB-CG2 4.25Å; P10-I504 WeakPolarHBondContact CB-O 3.35Å; P10-I504 HydrophobicContact CG-CG2 4.14Å; P11-I504 WeakPolarHBondContact CD-O 3.44Å; W434-I504 HydrophobicContact CH2-CD1 4.28Å; W434-I504 HydrophobicContact CH2-CG2 4.12Å; W434-I504 HydrophobicContact CZ2-CD1 4.18Å; Y456-I504 HydrophobicContact CD1-CG2 4.43Å; V458-I504 HydrophobicContact CG2-CD1 4.47Å; V458-I504 HydrophobicContact CG2-CG1 3.97Å; P494-I504 HydrophobicContact CB-CD1 3.92Å; P494-I504 HydrophobicContact CB-CG2 4.3Å; L497-I504 HydrophobicContact CB-CD1 3.65Å; L497-I504 HydrophobicContact CD1-CD1 3.91Å; L497-I504 HydrophobicContact CG-CD1 4.43Å; Q498-I504 HydrophobicContact CG-CB 4.05Å; Q498-I504 HydrophobicContact CG-CD1 4.27Å; Q498-I504 HydrophobicContact CG-CG1 4.01Å; Q498-I504 PolarHBondContact NE2-O 2.59Å; V502-I504 HydrophobicContact CG1-CG1 4.32Å; V502-I504 PolarHBondContact O-N 3.15Å | ||
| 505 | Y | 97.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 32.9 Ų | 32.9 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 155 | 172.7 | -60.8 | -90.8 | 0 | 0 | 0 | 109.7 | P11 T40 Y456 G457 P503 | P11-Y505 HydrophobicContact CB-CD1 4.19Å; P11-Y505 HydrophobicContact CB-CE1 4.43Å; P11-Y505 CarbonylContact O-C 3.56Å; P11-Y505 VanDerWaalsContact O-CA 3.24Å; P11-Y505 WeakPolarHBondContact O-CA 3.45Å; T40-Y505 HydrophobicContact CG2-CD1 3.93Å; T40-Y505 HydrophobicContact CG2-CD2 4.02Å; T40-Y505 HydrophobicContact CG2-CE1 3.81Å; T40-Y505 HydrophobicContact CG2-CE2 3.91Å; T40-Y505 HydrophobicContact CG2-CG 4.03Å; Y456-Y505 CarbonylContact C-O 3.5Å; Y456-Y505 VanDerWaalsContact CA-O 3.28Å; Y456-Y505 WeakPolarHBondContact CA-O 3.23Å; G457-Y505 PolarHBondContact N-O 2.67Å; G457-Y505 PolarHBondContact O-N 3.13Å; P503-Y505 HydrophobicContact CB-CE2 4.23Å |
| 506 | R | 97.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 6% | 0.064 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 161.1 | 176 | 55.5 | 153.2 | -87.5 | 139.4 | 2.7 | 112.9 | P10 P11 E12 A13 E337 W455 Y456 D508 | P10-R506 HydrophobicContact CB-CB 4.41Å; P10-R506 HydrophobicContact CB-CG 4.03Å; P10-R506 WeakPolarHBondContact O-CD 3.32Å; P10-R506 WeakPolarHBondContact O-CG 3.42Å; P11-R506 PolarHBondContact O-N 3.33Å; E12-R506 CarbonylContact C-O 3.54Å; E12-R506 VanDerWaalsContact CA-O 3.26Å; E12-R506 WeakPolarHBondContact CA-O 3.49Å; E12-R506 IonicContact OE1-CZ 2.77Å; E12-R506 VanDerWaalsContact OE1-CZ 3.26Å; E12-R506 IonicContact OE1-NE 3.81Å; E12-R506 PolarHBondContact OE1-NE 2.71Å; E12-R506 IonicContact OE1-NH2 3.33Å; E12-R506 PolarHBondContact OE1-NH2 3.24Å; A13-R506 PolarHBondContact N-O 3.29Å; E337-R506 IonicContact OE1-CZ 3.61Å; E337-R506 IonicContact OE1-NH1 2.92Å; E337-R506 PolarHBondContact OE1-NH1 3.13Å; E337-R506 IonicContact OE2-NH1 2.77Å; E337-R506 PolarHBondContact OE2-NH1 3.25Å; W455-R506 CarbonylContact O-C 3.6Å; W455-R506 WeakPolarHBondContact O-CA 3.39Å; W455-R506 VanDerWaalsContact O-CB 3.29Å; W455-R506 WeakPolarHBondContact O-CB 3.33Å; Y456-R506 HydrophobicContact CD1-CB 3.8Å; Y456-R506 HydrophobicContact CE1-CB 3.92Å; R506-D508 IonicContact CZ-OD1 3.22Å; R506-D508 IonicContact CZ-OD2 2.9Å; R506-D508 IonicContact NH1-OD1 2.62Å; R506-D508 IonicContact NH1-OD2 3.83Å; R506-D508 IonicContact NH2-OD1 2.84Å; R506-D508 PolarHBondContact NH2-OD1 3.26Å; R506-D508 IonicContact NH2-OD2 2.78Å; R506-D508 PolarHBondContact NH2-OD2 3.28Å |
| 507 | T | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 149.9 | 164.4 | -161.4 | 0 | 0 | 0 | 0 | 111.9 | E12 I42 K44 W455 V515 | E12-T507 WeakPolarHBondContact OE2-CA 3.37Å; E12-T507 PolarHBondContact OE2-OG1 3.17Å; I42-T507 HydrophobicContact CD1-CG2 4.46Å; K44-T507 HydrophobicContact CB-CG2 4.37Å; K44-T507 HydrophobicContact CD-CG2 4.35Å; W455-T507 HydrophobicContact CB-CG2 4.18Å; W455-T507 PolarHBondContact N-O 3.06Å; W455-T507 PolarHBondContact O-N 2.95Å; T507-V515 HydrophobicContact CG2-CG2 4.2Å |
| 508 | D | 97.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.8 | 169.9 | -67.6 | -36.4 | 0 | 0 | 0 | 109.8 | K44 P452 T454 R506 H510 | K44-D508 PolarHBondContact NZ-O 3.43Å; P452-D508 HydrophobicContact CB-CB 4.44Å; T454-D508 WeakPolarHBondContact CB-OD1 3.41Å; T454-D508 PolarHBondContact OG1-OD1 2.97Å; R506-D508 IonicContact CZ-OD1 3.22Å; R506-D508 IonicContact CZ-OD2 2.9Å; R506-D508 IonicContact NH1-OD1 2.62Å; R506-D508 IonicContact NH1-OD2 3.83Å; R506-D508 IonicContact NH2-OD1 2.84Å; R506-D508 PolarHBondContact NH2-OD1 3.26Å; R506-D508 IonicContact NH2-OD2 2.78Å; R506-D508 PolarHBondContact NH2-OD2 3.28Å; D508-H510 PolarHBondContact O-CE1 3.49Å; D508-H510 PolarHBondContact O-ND1 2.8Å |
| 509 | Q | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.8 | 176.6 | -177.4 | -169.2 | 17.1 | 0 | 0 | 110.3 | N445 N447 P452 K453 E513 V515 | N445-Q509 PolarHBondContact O-NE2 3.45Å; N445-Q509 VanDerWaalsContact O-NE2 3.08Å; N445-Q509 PolarHBondContact OD1-NE2 3.12Å; N445-Q509 PolarHBondContact OD1-OE1 2.83Å; N447-Q509 HydrophobicContact CB-CG 3.93Å; N447-Q509 PolarHBondContact ND2-O 3.37Å; N447-Q509 VanDerWaalsContact ND2-O 3.17Å; P452-Q509 CarbonylContact C-O 3.56Å; P452-Q509 WeakPolarHBondContact CA-O 3.37Å; K453-Q509 HydrophobicContact CB-CB 4.37Å; K453-Q509 PolarHBondContact N-O 3.18Å; K453-Q509 WeakPolarHBondContact O-CB 3.41Å; K453-Q509 PolarHBondContact O-N 3.45Å; Q509-E513 HydrophobicContact CG-CB 4.2Å; Q509-E513 PolarHBondContact NE2-O 2.79Å; Q509-V515 HydrophobicContact CB-CG2 3.69Å; Q509-V515 HydrophobicContact CG-CG2 3.72Å |
| 510 | H | 97.2 | Very high | 96.7 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 38% | 0.38 | 14% | 0.142 | S | C | . | . | trans | -84.6 | 167.9 | 177.5 | -62.3 | 67.4 | 0 | 0 | 0 | 110.9 | D508 G512 E513 | D508-H510 PolarHBondContact O-CE1 3.49Å; D508-H510 PolarHBondContact O-ND1 2.8Å; H510-G512 PolarHBondContact O-N 3.4Å; H510-E513 HydrophobicContact CB-CG 4.31Å; H510-E513 WeakPolarHBondContact CB-OE2 2.7Å; H510-E513 IonicContact CG-OE2 3.46Å; H510-E513 PolarHBondContact N-OE2 3.41Å; H510-E513 IonicContact ND1-OE2 3.95Å; H510-E513 WeakPolarHBondContact O-CB 3.39Å; H510-E513 PolarHBondContact O-N 2.8Å; H510-E513 VanDerWaalsContact O-N 3.16Å | ||
| 511 | C | 96.2 | Very high | 96.8 | Very high | 70 Ų | 70 | 20.9 Ų | 20.9 | 47% | 0.473 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 131.9 | 172.2 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | H448 W449 E513 | H448-C511 PolarHBondContact O-SG 3.35Å; H448-C511 VanDerWaalsContact O-SG 3.33Å; W449-C511 VanDerWaalsContact CA-SG 3.58Å; C511-E513 VanDerWaalsContact C-N 3.34Å |
| 512 | G | 95.5 | Very high | 96.9 | Very high | 22 Ų | 22 | 18.5 Ų | 18.5 | 23% | 0.227 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 3.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P47 F446 N447 H510 | P47-G512 WeakPolarHBondContact CD-O 3.47Å; P47-G512 WeakPolarHBondContact CG-O 3.32Å; F446-G512 VanDerWaalsContact CE2-C 3.48Å; F446-G512 WeakPolarHBondContact CE2-O 3.38Å; N447-G512 PolarHBondContact O-N 3.36Å; H510-G512 PolarHBondContact O-N 3.4Å |
| 513 | E | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 11% | 0.107 | 10% | 0.099 | C | C | . | . | trans | -103.1 | 146.5 | -179.6 | -57.5 | -176.8 | 143.9 | 0 | 0 | 112 | K44 V46 N447 Q509 H510 C511 | K44-E513 HydrophobicContact CD-CB 4.5Å; K44-E513 VanDerWaalsContact CD-OE2 3.26Å; K44-E513 WeakPolarHBondContact CD-OE2 3.43Å; K44-E513 WeakPolarHBondContact CE-OE2 3.32Å; K44-E513 HydrophobicContact CG-CB 4.44Å; K44-E513 IonicContact NZ-OE1 3.97Å; K44-E513 PolarHBondContact NZ-OE1 3.34Å; K44-E513 IonicContact NZ-OE2 3.78Å; K44-E513 PolarHBondContact NZ-OE2 2.86Å; V46-E513 HydrophobicContact CG2-CG 4.24Å; V46-E513 WeakPolarHBondContact CG2-OE1 3.29Å; N447-E513 PolarHBondContact N-O 2.9Å; Q509-E513 HydrophobicContact CG-CB 4.2Å; Q509-E513 PolarHBondContact NE2-O 2.79Å; H510-E513 HydrophobicContact CB-CG 4.31Å; H510-E513 WeakPolarHBondContact CB-OE2 2.7Å; H510-E513 IonicContact CG-OE2 3.46Å; H510-E513 PolarHBondContact N-OE2 3.41Å; H510-E513 IonicContact ND1-OE2 3.95Å; H510-E513 WeakPolarHBondContact O-CB 3.39Å; H510-E513 PolarHBondContact O-N 2.8Å; H510-E513 VanDerWaalsContact O-N 3.16Å; C511-E513 VanDerWaalsContact C-N 3.34Å | ||
| 514 | F | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143.5 | 171.1 | -66.4 | -91.3 | 0 | 0 | 0 | 111.1 | F23 K44 I45 P47 W51 W395 L397 I444 N445 F446 | F23-F514 HydrophobicContact CZ-CE2 4.42Å; K44-F514 CarbonylContact C-O 3.46Å; K44-F514 WeakPolarHBondContact CA-O 3.28Å; K44-F514 WeakPolarHBondContact CG-O 3.3Å; I45-F514 HydrophobicContact CB-CB 4.21Å; I45-F514 PolarHBondContact N-O 3.22Å; I45-F514 PolarHBondContact O-N 3.26Å; P47-F514 HydrophobicContact CG-CD2 3.69Å; P47-F514 HydrophobicContact CG-CE2 3.62Å; W51-F514 AromaticContact CH2-CE2 3.72Å; W51-F514 HydrophobicContact CH2-CE2 3.72Å; W51-F514 AromaticContact CH2-CZ 3.51Å; W51-F514 HydrophobicContact CH2-CZ 3.51Å; W51-F514 HydrophobicContact CZ2-CZ 4.28Å; W51-F514 AromaticContact CZ3-CE2 3.71Å; W51-F514 HydrophobicContact CZ3-CE2 3.71Å; W51-F514 AromaticContact CZ3-CZ 4Å; W51-F514 HydrophobicContact CZ3-CZ 4Å; W395-F514 HydrophobicContact CB-CZ 4.18Å; W395-F514 HydrophobicContact CE3-CD2 4.23Å; W395-F514 HydrophobicContact CE3-CE1 4.17Å; W395-F514 AromaticContact CE3-CE2 3.87Å; W395-F514 HydrophobicContact CE3-CE2 3.87Å; W395-F514 AromaticContact CE3-CZ 3.83Å; W395-F514 HydrophobicContact CE3-CZ 3.83Å; W395-F514 HydrophobicContact CZ3-CD2 4.39Å; W395-F514 HydrophobicContact CZ3-CE2 4.47Å; L397-F514 HydrophobicContact CD2-CE1 4.04Å; I444-F514 HydrophobicContact CD1-CD1 3.7Å; I444-F514 HydrophobicContact CD1-CE1 4.22Å; I444-F514 HydrophobicContact CD1-CG 4.35Å; I444-F514 HydrophobicContact CG1-CB 4.47Å; I444-F514 HydrophobicContact CG1-CD1 3.76Å; N445-F514 CarbonylContact O-C 3.54Å; N445-F514 WeakPolarHBondContact O-CA 3.46Å; F446-F514 HydrophobicContact CB-CD1 3.79Å; F446-F514 HydrophobicContact CB-CE1 3.67Å; F446-F514 HydrophobicContact CB-CZ 4.42Å; F446-F514 AromaticContact CD2-CD1 3.65Å; F446-F514 HydrophobicContact CD2-CD1 3.65Å; F446-F514 AromaticContact CD2-CD2 3.76Å; F446-F514 HydrophobicContact CD2-CD2 3.76Å; F446-F514 AromaticContact CD2-CE1 3.46Å; F446-F514 HydrophobicContact CD2-CE1 3.46Å; F446-F514 VanDerWaalsContact CD2-CE1 3.46Å; F446-F514 AromaticContact CD2-CE2 3.55Å; F446-F514 HydrophobicContact CD2-CE2 3.55Å; F446-F514 AromaticContact CD2-CG 3.81Å; F446-F514 HydrophobicContact CD2-CG 3.81Å; F446-F514 AromaticContact CD2-CZ 3.41Å; F446-F514 HydrophobicContact CD2-CZ 3.41Å; F446-F514 VanDerWaalsContact CD2-CZ 3.41Å; F446-F514 HydrophobicContact CE2-CD2 4.11Å; F446-F514 HydrophobicContact CE2-CE1 4.36Å; F446-F514 AromaticContact CE2-CE2 3.71Å; F446-F514 HydrophobicContact CE2-CE2 3.71Å; F446-F514 AromaticContact CE2-CZ 3.87Å; F446-F514 HydrophobicContact CE2-CZ 3.87Å; F446-F514 HydrophobicContact CG-CD1 4.16Å; F446-F514 AromaticContact CG-CE1 3.83Å; F446-F514 HydrophobicContact CG-CE1 3.83Å; F446-F514 HydrophobicContact CG-CZ 4.08Å |
| 515 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.1 | 162.6 | 170.3 | 0 | 0 | 0 | 0 | 108.7 | C43 K44 I444 N445 W455 T507 Q509 | C43-V515 WeakPolarHBondContact O-CA 3.05Å; K44-V515 HydrophobicContact CG-CG2 4.36Å; I444-V515 WeakPolarHBondContact CA-O 3.36Å; N445-V515 PolarHBondContact N-O 3.19Å; N445-V515 PolarHBondContact O-N 3.48Å; W455-V515 HydrophobicContact CD2-CB 4.45Å; W455-V515 HydrophobicContact CD2-CG1 3.84Å; W455-V515 HydrophobicContact CE3-CG1 4.08Å; W455-V515 HydrophobicContact CG-CG1 4.22Å; W455-V515 HydrophobicContact CG-CG2 4.46Å; W455-V515 HydrophobicContact CZ2-CB 4.31Å; W455-V515 HydrophobicContact CZ2-CG1 4.31Å; W455-V515 HydrophobicContact CZ3-CG1 4.43Å; T507-V515 HydrophobicContact CG2-CG2 4.2Å; Q509-V515 HydrophobicContact CB-CG2 3.69Å; Q509-V515 HydrophobicContact CG-CG2 3.72Å |
| 516 | V | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.7 | 178.3 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | L30 I42 C43 I45 Y442 S443 I444 F518 | L30-V516 HydrophobicContact CD2-CG1 4.2Å; L30-V516 HydrophobicContact CD2-CG2 3.95Å; I42-V516 VanDerWaalsContact CA-O 3.27Å; I42-V516 WeakPolarHBondContact CA-O 3.41Å; C43-V516 PolarHBondContact N-O 3.46Å; C43-V516 VanDerWaalsContact N-O 3.08Å; C43-V516 PolarHBondContact O-N 3.01Å; I45-V516 HydrophobicContact CD1-CG2 3.89Å; Y442-V516 HydrophobicContact CD1-CG1 4.46Å; S443-V516 CarbonylContact O-C 3.59Å; S443-V516 WeakPolarHBondContact O-CA 3.3Å; I444-V516 HydrophobicContact CB-CG2 4.48Å; I444-V516 HydrophobicContact CD1-CG2 4.07Å; I444-V516 HydrophobicContact CG1-CG2 4.04Å; V516-F518 HydrophobicContact CB-CE2 4.25Å; V516-F518 HydrophobicContact CG1-CD2 4.37Å; V516-F518 HydrophobicContact CG1-CE2 3.87Å; V516-F518 HydrophobicContact CG1-CZ 4.26Å |
| 517 | T | 97 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137.1 | 169.7 | 79.1 | 0 | 0 | 0 | 0 | 109.3 | I42 Y442 S443 W455 H523 | I42-T517 HydrophobicContact CG2-CG2 4.06Å; Y442-T517 VanDerWaalsContact CA-O 3.28Å; Y442-T517 WeakPolarHBondContact CA-O 3.36Å; Y442-T517 WeakPolarHBondContact CB-O 3.41Å; S443-T517 PolarHBondContact N-O 2.82Å; S443-T517 VanDerWaalsContact N-O 3.17Å; S443-T517 PolarHBondContact N-OG1 3.27Å; S443-T517 VanDerWaalsContact N-OG1 3.1Å; S443-T517 PolarHBondContact O-N 3.44Å; S443-T517 WeakPolarHBondContact OG-CG2 3.36Å; S443-T517 PolarHBondContact OG-OG1 3.38Å; W455-T517 HydrophobicContact CZ3-CG2 4.21Å; T517-H523 HydrophobicContact CG2-CB 4.48Å |
| 518 | F | 95.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | P | Polyproline II helix | trans | -94.7 | 160.3 | -177.8 | -75.1 | -102.6 | 0 | 0 | 0 | 110.9 | R34 C37 I38 G41 Y442 V516 R520 A521 | R34-F518 HydrophobicContact CB-CE1 4.02Å; R34-F518 HydrophobicContact CG-CD1 4.24Å; R34-F518 HydrophobicContact CG-CE1 3.91Å; C37-F518 HydrophobicContact CB-CD1 4.32Å; C37-F518 HydrophobicContact CB-CD2 3.79Å; C37-F518 HydrophobicContact CB-CE1 3.76Å; C37-F518 HydrophobicContact CB-CE2 3.16Å; C37-F518 HydrophobicContact CB-CG 4.36Å; C37-F518 HydrophobicContact CB-CZ 3.15Å; I38-F518 HydrophobicContact CG1-CD1 4.42Å; G41-F518 WeakPolarHBondContact O-CD2 3.16Å; G41-F518 PolarHBondContact O-N 2.9Å; Y442-F518 HydrophobicContact CD1-CD1 4.07Å; Y442-F518 HydrophobicContact CD1-CE1 4.36Å; Y442-F518 HydrophobicContact CD1-CG 4.38Å; Y442-F518 AromaticContact CE1-CD1 3.4Å; Y442-F518 HydrophobicContact CE1-CD1 3.4Å; Y442-F518 AromaticContact CE1-CE1 3.66Å; Y442-F518 HydrophobicContact CE1-CE1 3.66Å; Y442-F518 HydrophobicContact CE1-CG 4.11Å; V516-F518 HydrophobicContact CB-CE2 4.25Å; V516-F518 HydrophobicContact CG1-CD2 4.37Å; V516-F518 HydrophobicContact CG1-CE2 3.87Å; V516-F518 HydrophobicContact CG1-CZ 4.26Å; F518-R520 PolarHBondContact O-N 2.91Å; F518-A521 WeakPolarHBondContact O-CB 3.46Å; F518-A521 PolarHBondContact O-N 3.45Å |
| 519 | P | 95.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.019 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 130.5 | -178.5 | -35.1 | 39.3 | 0 | 0 | 0 | 113.4 | W440 Y442 R460 A521 I546 | W440-P519 WeakPolarHBondContact O-CA 3.21Å; W440-P519 WeakPolarHBondContact O-CB 3.21Å; Y442-P519 HydrophobicContact CD1-CG 4.45Å; Y442-P519 HydrophobicContact CD2-CG 3.51Å; Y442-P519 VanDerWaalsContact CE1-CD 3.48Å; Y442-P519 HydrophobicContact CE1-CG 4.21Å; Y442-P519 VanDerWaalsContact CE2-CD 3.42Å; Y442-P519 HydrophobicContact CE2-CG 3.16Å; Y442-P519 HydrophobicContact CG-CG 4.12Å; R460-P519 VanDerWaalsContact CB-O 3.29Å; R460-P519 WeakPolarHBondContact CB-O 3.35Å; P519-A521 PolarHBondContact O-N 3.36Å; P519-I546 HydrophobicContact CB-CD1 3.58Å; P519-I546 HydrophobicContact CB-CG2 3.99Å; P519-I546 HydrophobicContact CG-CD1 3.92Å |
| 520 | R | 95 | Very high | 96.6 | Very high | 38 Ų | 38 | 13.6 Ų | 13.6 | 14% | 0.143 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.5 | -178.1 | -155.8 | -174.6 | -177.8 | -155.4 | -7.4 | 113.8 | W440 R460 A463 D464 E467 F518 | W440-R520 HydrophobicContact CB-CB 4.08Å; W440-R520 HydrophobicContact CD2-CB 3.94Å; W440-R520 HydrophobicContact CD2-CG 3.69Å; W440-R520 HydrophobicContact CE3-CB 4.22Å; W440-R520 HydrophobicContact CE3-CG 4.08Å; W440-R520 HydrophobicContact CG-CB 3.9Å; W440-R520 HydrophobicContact CG-CG 3.98Å; W440-R520 HydrophobicContact CZ2-CG 4.23Å; W440-R520 VanDerWaalsContact CZ2-NE 3.32Å; R460-R520 WeakPolarHBondContact CA-O 3.33Å; R460-R520 HydrophobicContact CB-CB 3.96Å; A463-R520 HydrophobicContact CB-CG 4.14Å; D464-R520 IonicContact OD1-CZ 3.9Å; D464-R520 IonicContact OD1-NH1 3.94Å; D464-R520 IonicContact OD1-NH2 3.6Å; D464-R520 PolarHBondContact OD1-NH2 2.97Å; D464-R520 IonicContact OD2-NH1 2.77Å; E467-R520 IonicContact OE1-NH2 3.22Å; F518-R520 PolarHBondContact O-N 2.91Å |
| 521 | A | 96 | Very high | 96.6 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.017 | 6% | 0.058 | C | C | . | . | trans | -85.7 | 114.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G41 V458 F518 P519 H523 | G41-A521 VanDerWaalsContact O-CB 3.27Å; G41-A521 WeakPolarHBondContact O-CB 3.48Å; V458-A521 CarbonylContact O-C 3.46Å; V458-A521 WeakPolarHBondContact O-CA 3.38Å; V458-A521 VanDerWaalsContact O-CB 3.31Å; V458-A521 WeakPolarHBondContact O-CB 3.25Å; F518-A521 WeakPolarHBondContact O-CB 3.46Å; F518-A521 PolarHBondContact O-N 3.45Å; P519-A521 PolarHBondContact O-N 3.36Å; A521-H523 PolarHBondContact O-N 2.72Å; A521-H523 PolarHBondContact O-ND1 2.89Å | ||
| 522 | Y | 96.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 6.4 Ų | 6.4 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 135.5 | 173.3 | -81.8 | -85.6 | 0 | 0 | 0 | 109.6 | H435 I436 G457 V458 A463 F466 E467 L485 | H435-Y522 CarbonylContact O-C 3.59Å; H435-Y522 VanDerWaalsContact O-CA 3.32Å; H435-Y522 WeakPolarHBondContact O-CA 3.33Å; I436-Y522 HydrophobicContact CG2-CD1 3.7Å; I436-Y522 HydrophobicContact CG2-CD2 3.82Å; I436-Y522 HydrophobicContact CG2-CE1 3.85Å; I436-Y522 HydrophobicContact CG2-CE2 3.97Å; I436-Y522 HydrophobicContact CG2-CG 3.68Å; G457-Y522 CarbonylContact C-O 3.48Å; G457-Y522 WeakPolarHBondContact CA-O 3.34Å; V458-Y522 PolarHBondContact N-O 3.49Å; V458-Y522 PolarHBondContact O-N 2.9Å; V458-Y522 VanDerWaalsContact O-N 3.15Å; A463-Y522 HydrophobicContact CB-CD2 4.2Å; A463-Y522 HydrophobicContact CB-CE2 4.09Å; F466-Y522 HydrophobicContact CB-CD2 4.49Å; F466-Y522 AromaticContact CD1-CD1 3.8Å; F466-Y522 HydrophobicContact CD1-CD1 3.8Å; F466-Y522 AromaticContact CD1-CD2 3.48Å; F466-Y522 HydrophobicContact CD1-CD2 3.48Å; F466-Y522 VanDerWaalsContact CD1-CD2 3.48Å; F466-Y522 HydrophobicContact CD1-CE1 4.01Å; F466-Y522 AromaticContact CD1-CE2 3.7Å; F466-Y522 HydrophobicContact CD1-CE2 3.7Å; F466-Y522 AromaticContact CD1-CG 3.53Å; F466-Y522 HydrophobicContact CD1-CG 3.53Å; F466-Y522 AromaticContact CD1-CZ 3.97Å; F466-Y522 AromaticContact CE1-CD1 3.33Å; F466-Y522 HydrophobicContact CE1-CD1 3.33Å; F466-Y522 AromaticContact CE1-CD2 3.94Å; F466-Y522 HydrophobicContact CE1-CD2 3.94Å; F466-Y522 AromaticContact CE1-CE1 3.64Å; F466-Y522 HydrophobicContact CE1-CE1 3.64Å; F466-Y522 HydrophobicContact CE1-CE2 4.21Å; F466-Y522 AromaticContact CE1-CG 3.5Å; F466-Y522 HydrophobicContact CE1-CG 3.5Å; F466-Y522 HydrophobicContact CG-CD2 4.12Å; F466-Y522 HydrophobicContact CG-CG 4.24Å; F466-Y522 HydrophobicContact CZ-CD1 4.06Å; F466-Y522 HydrophobicContact CZ-CG 4.18Å; E467-Y522 VanDerWaalsContact CD-OH 3.32Å; E467-Y522 HydrophobicContact CG-CE2 3.87Å; E467-Y522 VanDerWaalsContact CG-OH 3.25Å; E467-Y522 WeakPolarHBondContact CG-OH 3.41Å; E467-Y522 PolarHBondContact OE1-OH 3.38Å; L485-Y522 HydrophobicContact CB-CE1 4.48Å; L485-Y522 HydrophobicContact CD1-CE1 4.44Å; L485-Y522 HydrophobicContact CD2-CE1 4.43Å |
| 523 | H | 96.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 5.3 Ų | 5.3 | 1% | 0.014 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 149.7 | 178.2 | 57.2 | -84 | 0 | 0 | 0 | 112 | I42 W434 H435 E437 W455 Y456 T517 A521 | I42-H523 HydrophobicContact CG2-CB 4.32Å; W434-H523 WeakPolarHBondContact CA-O 3.44Å; W434-H523 VanDerWaalsContact CE3-C 3.48Å; H435-H523 AromaticContact CD2-NE2 3.69Å; H435-H523 AromaticContact CE1-CD2 3.58Å; H435-H523 AromaticContact CE1-NE2 3.31Å; H435-H523 PolarHBondContact CE1-NE2 2.76Å; H435-H523 VanDerWaalsContact CE1-NE2 3.31Å; H435-H523 PolarHBondContact N-O 3.37Å; H435-H523 AromaticContact ND1-NE2 3.95Å; H435-H523 PolarHBondContact ND1-O 3.15Å; H435-H523 AromaticContact NE2-CD2 3.91Å; H435-H523 AromaticContact NE2-CE1 3.93Å; H435-H523 AromaticContact NE2-NE2 3.15Å; H435-H523 PolarHBondContact NE2-NE2 3.26Å; H435-H523 VanDerWaalsContact NE2-NE2 3.15Å; H435-H523 PolarHBondContact O-N 2.96Å; H435-H523 PolarHBondContact O-ND1 3.32Å; E437-H523 IonicContact OE1-CE1 3.24Å; E437-H523 PolarHBondContact OE1-CE1 2.86Å; E437-H523 IonicContact OE1-NE2 3.68Å; E437-H523 PolarHBondContact OE1-NE2 3.37Å; W455-H523 AromaticContact CZ3-CD2 3.85Å; Y456-H523 CarbonylContact O-C 3.58Å; Y456-H523 WeakPolarHBondContact O-CA 3.01Å; Y456-H523 WeakPolarHBondContact O-CB 3.39Å; T517-H523 HydrophobicContact CG2-CB 4.48Å; A521-H523 PolarHBondContact O-N 2.72Å; A521-H523 PolarHBondContact O-ND1 2.89Å |
| 524 | A | 95.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.008 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F432 W434 W455 Y456 | F432-A524 WeakPolarHBondContact CE2-O 3.28Å; F432-A524 WeakPolarHBondContact O-CA 3.4Å; W434-A524 HydrophobicContact CB-CB 4.4Å; W434-A524 HydrophobicContact CD2-CB 3.4Å; W434-A524 VanDerWaalsContact CD2-CB 3.4Å; W434-A524 HydrophobicContact CE3-CB 3.59Å; W434-A524 HydrophobicContact CG-CB 3.78Å; W434-A524 HydrophobicContact CH2-CB 4.37Å; W434-A524 HydrophobicContact CZ2-CB 4.21Å; W434-A524 HydrophobicContact CZ3-CB 4.07Å; W455-A524 CarbonylContact C-O 3.09Å; Y456-A524 PolarHBondContact N-O 3.47Å; Y456-A524 PolarHBondContact O-N 3.17Å |
| 525 | G | 96.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 4.8 Ų | 4.8 | 2% | 0.021 | 2% | 0.024 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | -177 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S431 F432 T454 | S431-G525 CarbonylContact C-O 3.49Å; S431-G525 VanDerWaalsContact CA-O 3.28Å; S431-G525 WeakPolarHBondContact CA-O 3.48Å; S431-G525 VanDerWaalsContact CB-O 3.31Å; S431-G525 WeakPolarHBondContact CB-O 3.44Å; F432-G525 VanDerWaalsContact CE1-C 3.48Å; F432-G525 PolarHBondContact N-O 2.94Å; F432-G525 PolarHBondContact O-N 3.38Å; T454-G525 CarbonylContact O-C 3.13Å; T454-G525 WeakPolarHBondContact O-CA 3.48Å |
| 526 | F | 97 | Very high | 96 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 160.9 | 178.7 | 66.4 | -85.9 | 0 | 0 | 0 | 111.1 | V336 E337 F340 S430 T454 Y456 | V336-F526 HydrophobicContact CG1-CE2 4.08Å; E337-F526 HydrophobicContact CB-CZ 3.76Å; E337-F526 HydrophobicContact CG-CE1 4.14Å; E337-F526 HydrophobicContact CG-CZ 3.86Å; F340-F526 HydrophobicContact CB-CD2 4.46Å; F340-F526 HydrophobicContact CB-CE1 4.49Å; F340-F526 HydrophobicContact CB-CE2 4.38Å; F340-F526 HydrophobicContact CB-CZ 4.42Å; F340-F526 AromaticContact CD1-CD1 3.57Å; F340-F526 HydrophobicContact CD1-CD1 3.57Å; F340-F526 AromaticContact CD1-CE1 3.89Å; F340-F526 HydrophobicContact CD1-CE1 3.89Å; F340-F526 HydrophobicContact CD1-CG 4.06Å; F340-F526 HydrophobicContact CD2-CB 4.14Å; F340-F526 HydrophobicContact CD2-CD1 4.36Å; F340-F526 HydrophobicContact CD2-CD2 4.33Å; F340-F526 HydrophobicContact CD2-CG 4Å; F340-F526 HydrophobicContact CE1-CB 4.39Å; F340-F526 AromaticContact CE1-CD1 3.72Å; F340-F526 HydrophobicContact CE1-CD1 3.72Å; F340-F526 HydrophobicContact CE1-CE1 4.41Å; F340-F526 HydrophobicContact CE1-CG 4.21Å; F340-F526 HydrophobicContact CE2-CB 3.84Å; F340-F526 HydrophobicContact CE2-CD1 4.47Å; F340-F526 HydrophobicContact CE2-CG 4.14Å; F340-F526 AromaticContact CG-CD1 3.92Å; F340-F526 HydrophobicContact CG-CD1 3.92Å; F340-F526 HydrophobicContact CG-CD2 4.26Å; F340-F526 HydrophobicContact CG-CE1 4.24Å; F340-F526 AromaticContact CG-CG 3.95Å; F340-F526 HydrophobicContact CG-CG 3.95Å; F340-F526 HydrophobicContact CZ-CB 3.97Å; F340-F526 HydrophobicContact CZ-CD1 4.18Å; F340-F526 HydrophobicContact CZ-CG 4.25Å; S430-F526 CarbonylContact O-C 3.59Å; S430-F526 VanDerWaalsContact O-CA 3.22Å; S430-F526 WeakPolarHBondContact O-CA 3.39Å; S430-F526 WeakPolarHBondContact O-CB 3.02Å; T454-F526 HydrophobicContact CG2-CE1 3.77Å; T454-F526 HydrophobicContact CG2-CZ 3.9Å; T454-F526 PolarHBondContact N-O 3.43Å; T454-F526 PolarHBondContact O-N 3.15Å; Y456-F526 HydrophobicContact CE2-CD1 4.25Å; Y456-F526 HydrophobicContact CE2-CE1 4.03Å |
| 527 | N | 97.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 5.5 Ų | 5.5 | 6% | 0.059 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.6 | 178.9 | -60.7 | -67.4 | 0 | 0 | 0 | 111 | M427 V428 F429 S430 K453 G529 N531 | M427-N527 WeakPolarHBondContact O-CB 3.37Å; V428-N527 WeakPolarHBondContact CA-O 3.38Å; F429-N527 PolarHBondContact N-O 3.13Å; S430-N527 PolarHBondContact O-N 2.66Å; S430-N527 PolarHBondContact O-ND2 3.11Å; S430-N527 PolarHBondContact OG-ND2 2.74Å; K453-N527 WeakPolarHBondContact CG-OD1 3.21Å; K453-N527 PolarHBondContact NZ-OD1 2.91Å; N527-G529 PolarHBondContact O-N 3.08Å; N527-N531 PolarHBondContact OD1-ND2 2.99Å; N527-N531 PolarHBondContact OD1-OD1 2.73Å |
| 528 | Q | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -72.5 | -17.8 | 176.4 | -66.5 | -70.4 | -17.1 | 0 | 0 | 112.4 | K320 C333 E451 P452 T454 | K320-Q528 WeakPolarHBondContact CE-O 3.28Å; K320-Q528 PolarHBondContact NZ-O 2.81Å; C333-Q528 HydrophobicContact CB-CG 4.4Å; C333-Q528 PolarHBondContact O-NE2 3.2Å; E451-Q528 HydrophobicContact CB-CB 4.31Å; P452-Q528 HydrophobicContact CB-CB 4.44Å; P452-Q528 HydrophobicContact CB-CG 4.02Å; P452-Q528 WeakPolarHBondContact O-CB 3.31Å; P452-Q528 VanDerWaalsContact O-CG 3.23Å; P452-Q528 WeakPolarHBondContact O-CG 3.34Å; P452-Q528 PolarHBondContact O-N 2.86Å; T454-Q528 PolarHBondContact OG1-NE2 2.94Å |
| 529 | G | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 176.4 | -157.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G426 M427 E451 N527 N531 | G426-G529 CarbonylContact C-O 3.55Å; M427-G529 CarbonylContact C-O 3.58Å; M427-G529 WeakPolarHBondContact CA-O 3.45Å; E451-G529 VanDerWaalsContact OE2-CA 3.29Å; E451-G529 WeakPolarHBondContact OE2-CA 3.27Å; N527-G529 PolarHBondContact O-N 3.08Å; G529-N531 PolarHBondContact O-N 2.89Å |
| 530 | F | 96.5 | Very high | 95.1 | Very high | 18 Ų | 18 | 5.2 Ų | 5.2 | 8% | 0.079 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -68.9 | 120.5 | 177.7 | -178.7 | -135.7 | 0 | 0 | 0 | 111 | M59 L309 F312 G313 A316 V425 G426 W449 G450 E451 | M59-F530 HydrophobicContact CE-CE1 4.32Å; M59-F530 HydrophobicContact CE-CZ 4.46Å; L309-F530 HydrophobicContact CD1-CE2 4.01Å; L309-F530 HydrophobicContact CD1-CZ 4.03Å; L309-F530 HydrophobicContact CG-CZ 4.22Å; L309-F530 VanDerWaalsContact O-CZ 3.26Å; L309-F530 WeakPolarHBondContact O-CZ 3.35Å; F312-F530 AromaticContact CD1-CD2 3.89Å; F312-F530 HydrophobicContact CD1-CD2 3.89Å; F312-F530 AromaticContact CD1-CE2 3.67Å; F312-F530 HydrophobicContact CD1-CE2 3.67Å; F312-F530 HydrophobicContact CE1-CD2 4.18Å; F312-F530 HydrophobicContact CE1-CE2 4.32Å; G313-F530 VanDerWaalsContact CA-CD1 3.47Å; A316-F530 HydrophobicContact CB-CB 3.95Å; A316-F530 HydrophobicContact CB-CD2 4.36Å; A316-F530 HydrophobicContact CB-CG 4.35Å; V425-F530 HydrophobicContact CG1-CE2 3.98Å; G426-F530 VanDerWaalsContact O-CA 3.29Å; G426-F530 WeakPolarHBondContact O-CA 3.18Å; G426-F530 WeakPolarHBondContact O-CD2 3.34Å; W449-F530 HydrophobicContact CH2-CD1 4.11Å; W449-F530 AromaticContact CH2-CE1 3.37Å; W449-F530 HydrophobicContact CH2-CE1 3.37Å; W449-F530 AromaticContact CH2-CE2 3.95Å; W449-F530 HydrophobicContact CH2-CE2 3.95Å; W449-F530 AromaticContact CH2-CZ 3.31Å; W449-F530 HydrophobicContact CH2-CZ 3.31Å; W449-F530 HydrophobicContact CZ2-CZ 4.46Å; W449-F530 AromaticContact CZ3-CD1 3.71Å; W449-F530 HydrophobicContact CZ3-CD1 3.71Å; W449-F530 AromaticContact CZ3-CE1 3.4Å; W449-F530 HydrophobicContact CZ3-CE1 3.4Å; W449-F530 HydrophobicContact CZ3-CE2 4.39Å; W449-F530 HydrophobicContact CZ3-CG 4.36Å; W449-F530 AromaticContact CZ3-CZ 3.82Å; W449-F530 HydrophobicContact CZ3-CZ 3.82Å; G450-F530 CarbonylContact C-O 3.51Å; G450-F530 VanDerWaalsContact CA-O 3.3Å; G450-F530 WeakPolarHBondContact CA-O 3.18Å; E451-F530 PolarHBondContact N-O 3.37Å |
| 531 | N | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 165.9 | 177.1 | 67.2 | 21.2 | 0 | 0 | 0 | 113.2 | G426 W449 E451 N527 G529 | G426-N531 WeakPolarHBondContact CA-OD1 3.38Å; G426-N531 PolarHBondContact N-O 3.22Å; G426-N531 PolarHBondContact N-OD1 2.85Å; G426-N531 PolarHBondContact O-N 3.37Å; G426-N531 VanDerWaalsContact O-N 3.12Å; W449-N531 WeakPolarHBondContact O-CA 3.33Å; W449-N531 WeakPolarHBondContact O-CB 3.33Å; E451-N531 VanDerWaalsContact O-CB 3.27Å; E451-N531 WeakPolarHBondContact O-CB 3.24Å; E451-N531 PolarHBondContact O-ND2 2.8Å; N527-N531 PolarHBondContact OD1-ND2 2.99Å; N527-N531 PolarHBondContact OD1-OD1 2.73Å; G529-N531 PolarHBondContact O-N 2.89Å |
| 532 | F | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 119.6 | 174 | -174 | -79.8 | 0 | 0 | 0 | 109.7 | F55 V57 F62 L309 C423 V425 N447 H448 W449 | F55-F532 AromaticContact CE2-CD1 3.48Å; F55-F532 HydrophobicContact CE2-CD1 3.48Å; F55-F532 VanDerWaalsContact CE2-CD1 3.48Å; F55-F532 AromaticContact CE2-CE1 3.61Å; F55-F532 HydrophobicContact CE2-CE1 3.61Å; F55-F532 AromaticContact CE2-CG 3.98Å; F55-F532 HydrophobicContact CE2-CG 3.98Å; F55-F532 HydrophobicContact CE2-CZ 4.19Å; F55-F532 AromaticContact CZ-CD1 3.93Å; F55-F532 HydrophobicContact CZ-CD1 3.93Å; F55-F532 HydrophobicContact CZ-CD2 4.16Å; F55-F532 HydrophobicContact CZ-CE1 4.07Å; F55-F532 HydrophobicContact CZ-CE2 4.3Å; F55-F532 AromaticContact CZ-CG 3.97Å; F55-F532 HydrophobicContact CZ-CG 3.97Å; F55-F532 HydrophobicContact CZ-CZ 4.24Å; V57-F532 HydrophobicContact CG2-CZ 4.49Å; F62-F532 HydrophobicContact CE1-CE2 4.28Å; F62-F532 HydrophobicContact CE2-CE2 4.23Å; F62-F532 AromaticContact CZ-CE2 3.9Å; F62-F532 HydrophobicContact CZ-CE2 3.9Å; F62-F532 HydrophobicContact CZ-CZ 4.49Å; L309-F532 HydrophobicContact CD1-CD2 4.17Å; L309-F532 HydrophobicContact CD2-CD2 3.9Å; L309-F532 HydrophobicContact CD2-CE2 4.3Å; C423-F532 HydrophobicContact CB-CE1 4.34Å; C423-F532 HydrophobicContact CB-CE2 4.13Å; C423-F532 HydrophobicContact CB-CZ 3.64Å; V425-F532 HydrophobicContact CG2-CD2 3.94Å; V425-F532 HydrophobicContact CG2-CE2 4.2Å; N447-F532 PolarHBondContact OD1-O 3.38Å; H448-F532 HydrophobicContact CB-CD1 4.07Å; H448-F532 WeakPolarHBondContact CB-O 3.34Å; H448-F532 AromaticContact CD2-CD1 3.68Å; H448-F532 AromaticContact CD2-CE1 3.77Å; H448-F532 PolarHBondContact N-O 3.09Å; W449-F532 HydrophobicContact CD2-CB 4.2Å; W449-F532 HydrophobicContact CH2-CB 4.18Å; W449-F532 HydrophobicContact CZ2-CB 3.55Å; W449-F532 HydrophobicContact CZ2-CG 4.34Å; W449-F532 PolarHBondContact O-N 2.83Å |
| 533 | A | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C423 Y424 F446 | C423-A533 CarbonylContact C-O 3.49Å; C423-A533 WeakPolarHBondContact CA-O 3.05Å; Y424-A533 PolarHBondContact N-O 3.26Å; Y424-A533 PolarHBondContact O-N 3.46Å; F446-A533 CarbonylContact O-C 3.33Å; F446-A533 VanDerWaalsContact O-CA 3.24Å; F446-A533 WeakPolarHBondContact O-CA 3.05Å |
| 534 | E | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.7 | 176.1 | -172 | 171.4 | 179.6 | 0 | 0 | 109 | S366 G367 F368 L397 P421 W422 N445 F446 H448 | S366-E534 WeakPolarHBondContact CB-OE1 3.45Å; S366-E534 PolarHBondContact OG-OE1 3.47Å; S366-E534 PolarHBondContact OG-OE2 3.16Å; S366-E534 VanDerWaalsContact OG-OE2 3.1Å; G367-E534 WeakPolarHBondContact CA-OE2 3.41Å; G367-E534 PolarHBondContact N-OE2 3.4Å; F368-E534 WeakPolarHBondContact CD2-OE2 3.39Å; L397-E534 HydrophobicContact CD1-CB 4.2Å; L397-E534 HydrophobicContact CD1-CG 4.13Å; L397-E534 VanDerWaalsContact CD1-O 3.24Å; L397-E534 WeakPolarHBondContact CD1-O 3.23Å; P421-E534 HydrophobicContact CB-CG 3.62Å; P421-E534 VanDerWaalsContact CB-OE1 3.26Å; P421-E534 WeakPolarHBondContact CB-OE1 3.16Å; W422-E534 CarbonylContact O-C 3.6Å; W422-E534 VanDerWaalsContact O-CA 3.31Å; W422-E534 WeakPolarHBondContact O-CA 3.4Å; N445-E534 CarbonylContact C-O 3.59Å; N445-E534 WeakPolarHBondContact CA-O 3.49Å; F446-E534 PolarHBondContact N-O 2.93Å; F446-E534 PolarHBondContact O-N 3.03Å; H448-E534 IonicContact CD2-OE2 3.09Å; H448-E534 IonicContact CE1-OE2 3.92Å; H448-E534 WeakPolarHBondContact NE2-CB 3.39Å; H448-E534 IonicContact NE2-OE2 3.16Å; H448-E534 PolarHBondContact NE2-OE2 3.34Å |
| 535 | A | 94.6 | Very high | 94.2 | Very high | 12 Ų | 12 | 6.9 Ų | 6.9 | 10% | 0.099 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P421 W422 Y424 I444 N445 | P421-A535 CarbonylContact C-O 3.49Å; P421-A535 WeakPolarHBondContact CA-O 3.34Å; W422-A535 PolarHBondContact N-O 3.16Å; W422-A535 PolarHBondContact O-N 3.3Å; Y424-A535 HydrophobicContact CD2-CB 4.44Å; Y424-A535 HydrophobicContact CE2-CB 3.77Å; I444-A535 CarbonylContact O-C 3.53Å; I444-A535 WeakPolarHBondContact O-CA 3.38Å; I444-A535 WeakPolarHBondContact O-CB 3.4Å; N445-A535 HydrophobicContact CB-CB 4.06Å |
| 536 | V | 93.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.012 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 152.6 | 175.8 | 73.7 | 0 | 0 | 0 | 0 | 110.2 | L397 P401 G417 M418 P421 S443 I444 | L397-V536 HydrophobicContact CB-CB 4.47Å; L397-V536 HydrophobicContact CB-CG1 3.94Å; L397-V536 HydrophobicContact CD2-CG1 4.09Å; L397-V536 HydrophobicContact CG-CG1 4.43Å; P401-V536 HydrophobicContact CG-CB 4.42Å; P401-V536 HydrophobicContact CG-CG1 4.05Å; P401-V536 HydrophobicContact CG-CG2 3.48Å; P401-V536 VanDerWaalsContact CG-CG2 3.48Å; G417-V536 WeakPolarHBondContact O-CA 3.46Å; M418-V536 WeakPolarHBondContact O-CG2 3.43Å; P421-V536 HydrophobicContact CB-CB 4.25Å; P421-V536 HydrophobicContact CG-CB 4.17Å; P421-V536 HydrophobicContact CG-CG2 4.25Å; S443-V536 WeakPolarHBondContact CA-O 3.45Å; I444-V536 HydrophobicContact CG2-CG1 3.7Å; I444-V536 WeakPolarHBondContact CG2-O 3.47Å; I444-V536 PolarHBondContact N-O 3.26Å; I444-V536 PolarHBondContact O-N 3.41Å |
| 537 | N | 93.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 7.2 Ų | 7.2 | 7% | 0.07 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 155.2 | 170.4 | -54.5 | 101.5 | 0 | 0 | 0 | 112.2 | L408 G417 M418 E437 S441 Y442 | L408-N537 HydrophobicContact CD1-CB 4.39Å; L408-N537 WeakPolarHBondContact CD1-O 3.26Å; G417-N537 PolarHBondContact O-N 3.44Å; G417-N537 PolarHBondContact O-OD1 3.26Å; M418-N537 HydrophobicContact CB-CB 4.4Å; M418-N537 HydrophobicContact CE-CB 4.42Å; M418-N537 HydrophobicContact CG-CB 4.42Å; E437-N537 PolarHBondContact OE2-ND2 3.33Å; S441-N537 PolarHBondContact OG-ND2 2.99Å; S441-N537 VanDerWaalsContact OG-ND2 3.17Å; Y442-N537 VanDerWaalsContact O-CA 3.25Å; Y442-N537 WeakPolarHBondContact O-CA 3.39Å; Y442-N537 VanDerWaalsContact O-CB 3.28Å; Y442-N537 WeakPolarHBondContact O-CB 3.42Å; Y442-N537 PolarHBondContact O-ND2 2.91Å |
| 538 | I | 91.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.5 | 169.2 | 61.5 | -179 | 0 | 0 | 0 | 109 | L27 L30 L400 Y442 | L27-I538 HydrophobicContact CD2-CD1 3.96Å; L30-I538 HydrophobicContact CD1-CD1 3.3Å; L400-I538 HydrophobicContact CD2-CD1 4.39Å; L400-I538 HydrophobicContact CD2-CG2 3.73Å; L400-I538 HydrophobicContact CG-CG2 3.97Å; Y442-I538 VanDerWaalsContact CB-O 3.29Å; Y442-I538 WeakPolarHBondContact CB-O 3.42Å; Y442-I538 WeakPolarHBondContact CD2-O 3.27Å; Y442-I538 HydrophobicContact CG-CG1 4.17Å; Y442-I538 PolarHBondContact N-O 2.69Å; Y442-I538 VanDerWaalsContact N-O 3.1Å; Y442-I538 PolarHBondContact O-N 3.49Å |
| 539 | C | 91.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -133.7 | 116 | 172.5 | -69 | 0 | 0 | 0 | 0 | 109.3 | S406 V407 L408 S441 W543 | S406-C539 CarbonylContact C-O 3.43Å; S406-C539 WeakPolarHBondContact CA-O 3.39Å; V407-C539 HydrophobicContact CG2-CB 3.4Å; V407-C539 WeakPolarHBondContact CG2-O 3.21Å; V407-C539 PolarHBondContact N-O 3.38Å; L408-C539 HydrophobicContact CD2-CB 3.98Å; L408-C539 HydrophobicContact CG-CB 3.94Å; S441-C539 WeakPolarHBondContact CB-SG 3.39Å; C539-W543 HydrophobicContact CB-CB 4.32Å; C539-W543 HydrophobicContact CB-CD2 3.78Å; C539-W543 HydrophobicContact CB-CE3 3.59Å; C539-W543 HydrophobicContact CB-CG 4.09Å; C539-W543 HydrophobicContact CB-CZ3 4.24Å | ||
| 540 | L | 90.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -81.1 | 163.5 | 169.6 | -64.2 | 175.6 | 0 | 0 | 0 | 110 | L27 L30 M31 R405 Y442 D542 W543 | L27-L540 HydrophobicContact CB-CD2 3.89Å; L27-L540 HydrophobicContact CD1-CD2 4.29Å; L27-L540 HydrophobicContact CD2-CD2 4.06Å; L27-L540 HydrophobicContact CG-CD2 4.29Å; L30-L540 HydrophobicContact CB-CD1 4.35Å; M31-L540 HydrophobicContact CG-CD1 3.85Å; R405-L540 HydrophobicContact CB-CD2 4.22Å; Y442-L540 HydrophobicContact CE2-CB 4.47Å; L540-D542 WeakPolarHBondContact CB-OD1 3.2Å; L540-D542 PolarHBondContact O-N 3.44Å; L540-D542 VanDerWaalsContact O-N 3.14Å; L540-W543 VanDerWaalsContact O-CB 3.25Å; L540-W543 WeakPolarHBondContact O-CB 3.49Å; L540-W543 PolarHBondContact O-N 3.05Å | ||
| 541 | P | 88 | Confident | 93.3 | Very high | 5 Ų | 5 | 12.7 Ų | 12.7 | 3% | 0.032 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -59.8 | -29.6 | -176.7 | -24.7 | 36.2 | 0 | 0 | 0 | 113.6 | R405 V407 W543 L544 A626 I629 | R405-P541 WeakPolarHBondContact O-CD 3.49Å; V407-P541 HydrophobicContact CG1-CG 4.44Å; P541-W543 PolarHBondContact O-N 3.48Å; P541-L544 WeakPolarHBondContact O-CB 3.25Å; P541-L544 WeakPolarHBondContact O-CG 3.31Å; P541-L544 PolarHBondContact O-N 2.85Å; P541-L544 VanDerWaalsContact O-N 3.15Å; P541-A626 HydrophobicContact CB-CB 3.66Å; P541-A626 HydrophobicContact CG-CB 3.45Å; P541-A626 VanDerWaalsContact CG-CB 3.45Å; P541-I629 HydrophobicContact CB-CD1 4.06Å; P541-I629 WeakPolarHBondContact O-CG2 3.1Å |
| 542 | D | 88.5 | Confident | 93.1 | Very high | 20 Ų | 20 | 16.9 Ų | 16.9 | 11% | 0.107 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -68.5 | -11.3 | 176 | 68 | -66.9 | 0 | 0 | 0 | 114.2 | R34 Y442 L540 P545 I629 | R34-D542 VanDerWaalsContact CD-OD2 3.22Å; R34-D542 WeakPolarHBondContact CD-OD2 3.39Å; R34-D542 IonicContact CZ-OD2 3.47Å; R34-D542 VanDerWaalsContact CZ-OD2 3.3Å; R34-D542 IonicContact NE-OD2 3.81Å; R34-D542 PolarHBondContact NE-OD2 3.29Å; R34-D542 IonicContact NH1-OD2 3.5Å; R34-D542 PolarHBondContact NH1-OD2 3.1Å; Y442-D542 PolarHBondContact OH-OD2 2.94Å; L540-D542 WeakPolarHBondContact CB-OD1 3.2Å; L540-D542 PolarHBondContact O-N 3.44Å; L540-D542 VanDerWaalsContact O-N 3.14Å; D542-P545 WeakPolarHBondContact O-CD 3.46Å; D542-P545 WeakPolarHBondContact O-CG 3.37Å; D542-I629 HydrophobicContact CB-CD1 4.37Å |
| 543 | W | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -74.2 | -25.2 | 171.2 | 165.7 | 86.5 | 0 | 0 | 0 | 112.7 | V407 H439 W440 Y442 C539 L540 P541 I546 G547 F563 L568 | V407-W543 HydrophobicContact CG2-CE3 3.86Å; V407-W543 HydrophobicContact CG2-CZ3 4Å; H439-W543 HydrophobicContact CB-CZ2 3.9Å; H439-W543 PolarHBondContact O-NE1 3.28Å; W440-W543 VanDerWaalsContact O-CD1 3.29Å; W440-W543 PolarHBondContact O-NE1 3.45Å; Y442-W543 HydrophobicContact CE2-CB 4.29Å; C539-W543 HydrophobicContact CB-CB 4.32Å; C539-W543 HydrophobicContact CB-CD2 3.78Å; C539-W543 HydrophobicContact CB-CE3 3.59Å; C539-W543 HydrophobicContact CB-CG 4.09Å; C539-W543 HydrophobicContact CB-CZ3 4.24Å; L540-W543 VanDerWaalsContact O-CB 3.25Å; L540-W543 WeakPolarHBondContact O-CB 3.49Å; L540-W543 PolarHBondContact O-N 3.05Å; P541-W543 PolarHBondContact O-N 3.48Å; W543-I546 CarbonylContact O-C 3.43Å; W543-I546 WeakPolarHBondContact O-CA 3.32Å; W543-I546 VanDerWaalsContact O-CB 3.29Å; W543-I546 WeakPolarHBondContact O-CB 3.3Å; W543-I546 PolarHBondContact O-N 2.86Å; W543-G547 VanDerWaalsContact CZ2-CA 3.47Å; W543-G547 PolarHBondContact O-N 3.21Å; W543-F563 HydrophobicContact CH2-CE2 4.14Å; W543-F563 AromaticContact CH2-CZ 3.84Å; W543-F563 HydrophobicContact CH2-CZ 3.84Å; W543-F563 HydrophobicContact CZ2-CZ 4.41Å; W543-L568 HydrophobicContact CH2-CD2 4.34Å; W543-L568 HydrophobicContact CZ3-CD2 3.85Å |
| 544 | L | 94.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -47.8 | -50.3 | -177.5 | -68.2 | 170.8 | 0 | 0 | 0 | 114.7 | P541 I546 G547 R548 L572 I629 V630 E633 | P541-L544 WeakPolarHBondContact O-CB 3.25Å; P541-L544 WeakPolarHBondContact O-CG 3.31Å; P541-L544 PolarHBondContact O-N 2.85Å; P541-L544 VanDerWaalsContact O-N 3.15Å; L544-I546 VanDerWaalsContact C-N 3.29Å; L544-I546 PolarHBondContact O-N 2.76Å; L544-G547 PolarHBondContact O-N 2.75Å; L544-R548 PolarHBondContact O-N 3.46Å; L544-L572 HydrophobicContact CD1-CD1 4.06Å; L544-L572 HydrophobicContact CD2-CD1 3.78Å; L544-I629 HydrophobicContact CB-CG2 4.3Å; L544-I629 HydrophobicContact CD1-CG2 4.18Å; L544-V630 HydrophobicContact CD1-CG2 3.7Å; L544-E633 HydrophobicContact CB-CG 4.12Å |
| 545 | P | 94.5 | Very high | 92.3 | Very high | 46 Ų | 46 | 19.8 Ų | 19.8 | 30% | 0.299 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -63.2 | -33 | 174.9 | 22 | -33.5 | 0 | 0 | 0 | 113.7 | D542 A549 E633 | D542-P545 WeakPolarHBondContact O-CD 3.46Å; D542-P545 WeakPolarHBondContact O-CG 3.37Å; P545-A549 PolarHBondContact O-N 3.35Å; P545-E633 WeakPolarHBondContact CA-OE2 3.28Å; P545-E633 HydrophobicContact CB-CG 4.38Å |
| 546 | I | 94.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 5% | 0.046 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.1 | -42.5 | 178.4 | -50.7 | 172.1 | 0 | 0 | 0 | 110 | W440 P519 W543 L544 A549 C550 | W440-I546 HydrophobicContact CB-CG2 4.06Å; W440-I546 HydrophobicContact CE3-CG2 3.78Å; P519-I546 HydrophobicContact CB-CD1 3.58Å; P519-I546 HydrophobicContact CB-CG2 3.99Å; P519-I546 HydrophobicContact CG-CD1 3.92Å; W543-I546 CarbonylContact O-C 3.43Å; W543-I546 WeakPolarHBondContact O-CA 3.32Å; W543-I546 VanDerWaalsContact O-CB 3.29Å; W543-I546 WeakPolarHBondContact O-CB 3.3Å; W543-I546 PolarHBondContact O-N 2.86Å; L544-I546 VanDerWaalsContact C-N 3.29Å; L544-I546 PolarHBondContact O-N 2.76Å; I546-A549 PolarHBondContact O-N 3.08Å; I546-C550 WeakPolarHBondContact O-CB 3.47Å; I546-C550 PolarHBondContact O-N 3.29Å |
| 547 | G | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W543 L544 A549 C550 I551 N565 | W543-G547 VanDerWaalsContact CZ2-CA 3.47Å; W543-G547 PolarHBondContact O-N 3.21Å; L544-G547 PolarHBondContact O-N 2.75Å; G547-A549 PolarHBondContact O-N 3.01Å; G547-C550 WeakPolarHBondContact O-CA 3.31Å; G547-C550 VanDerWaalsContact O-CB 3.24Å; G547-C550 WeakPolarHBondContact O-CB 3.47Å; G547-C550 PolarHBondContact O-N 3.43Å; G547-C550 VanDerWaalsContact O-N 3.12Å; G547-I551 WeakPolarHBondContact O-CG1 3.46Å; G547-I551 PolarHBondContact O-N 3.37Å; G547-N565 WeakPolarHBondContact CA-ND2 3.21Å; G547-N565 PolarHBondContact O-ND2 3.43Å; G547-N565 VanDerWaalsContact O-ND2 3.09Å |
| 548 | R | 94 | Very high | 90.7 | Very high | 80 Ų | 80 | 33.8 Ų | 33.8 | 30% | 0.302 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.8 | -179.2 | 171 | 58.1 | 104.2 | -4.6 | 112.1 | L544 C550 I551 E552 E633 | L544-R548 PolarHBondContact O-N 3.46Å; R548-C550 VanDerWaalsContact C-N 3.26Å; R548-C550 PolarHBondContact O-N 3.23Å; R548-I551 PolarHBondContact O-N 3.21Å; R548-E552 PolarHBondContact O-N 3.09Å; R548-E552 VanDerWaalsContact O-N 3.13Å; R548-E633 IonicContact CZ-OE2 2.79Å; R548-E633 VanDerWaalsContact CZ-OE2 3.31Å; R548-E633 IonicContact NE-OE2 3.34Å; R548-E633 PolarHBondContact NE-OE2 3.21Å; R548-E633 IonicContact NH2-OE1 3.69Å; R548-E633 PolarHBondContact NH2-OE1 3.43Å; R548-E633 IonicContact NH2-OE2 3.69Å; R548-E633 PolarHBondContact NH2-OE2 2.88Å |
| 549 | A | 94 | Very high | 90.1 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W440 P545 I546 G547 E552 H553 | W440-A549 HydrophobicContact CZ3-CB 4.08Å; P545-A549 PolarHBondContact O-N 3.35Å; I546-A549 PolarHBondContact O-N 3.08Å; G547-A549 PolarHBondContact O-N 3.01Å; A549-E552 PolarHBondContact O-N 3.27Å; A549-H553 PolarHBondContact O-N 3.09Å |
| 550 | C | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.1 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | H439 W440 I546 G547 R548 E552 H553 Y554 | H439-C550 VanDerWaalsContact CA-SG 3.56Å; W440-C550 HydrophobicContact CB-CB 4.27Å; W440-C550 HydrophobicContact CD2-CB 3.56Å; W440-C550 HydrophobicContact CE3-CB 3.62Å; W440-C550 HydrophobicContact CG-CB 3.84Å; W440-C550 HydrophobicContact CZ3-CB 4.2Å; I546-C550 WeakPolarHBondContact O-CB 3.47Å; I546-C550 PolarHBondContact O-N 3.29Å; G547-C550 WeakPolarHBondContact O-CA 3.31Å; G547-C550 VanDerWaalsContact O-CB 3.24Å; G547-C550 WeakPolarHBondContact O-CB 3.47Å; G547-C550 PolarHBondContact O-N 3.43Å; G547-C550 VanDerWaalsContact O-N 3.12Å; R548-C550 VanDerWaalsContact C-N 3.26Å; R548-C550 PolarHBondContact O-N 3.23Å; C550-E552 PolarHBondContact O-N 3.12Å; C550-H553 CarbonylContact O-C 3.51Å; C550-H553 WeakPolarHBondContact O-CB 3.21Å; C550-H553 PolarHBondContact O-N 3.06Å; C550-Y554 WeakPolarHBondContact O-CB 3.3Å; C550-Y554 WeakPolarHBondContact O-CD1 3.21Å; C550-Y554 PolarHBondContact O-N 3.26Å; C550-Y554 WeakPolarHBondContact SG-CE1 3.4Å |
| 551 | I | 92.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 177.7 | -62.1 | -51.6 | 0 | 0 | 0 | 111.9 | G547 R548 H553 Y554 A555 C561 N565 T676 | G547-I551 WeakPolarHBondContact O-CG1 3.46Å; G547-I551 PolarHBondContact O-N 3.37Å; R548-I551 PolarHBondContact O-N 3.21Å; I551-H553 VanDerWaalsContact C-N 3.33Å; I551-Y554 HydrophobicContact CD1-CD2 4.37Å; I551-Y554 PolarHBondContact O-N 3.43Å; I551-A555 WeakPolarHBondContact O-CB 3.32Å; I551-A555 PolarHBondContact O-N 3.13Å; I551-C561 HydrophobicContact CD1-CB 4.26Å; I551-N565 HydrophobicContact CG1-CB 3.98Å; I551-N565 VanDerWaalsContact CG1-CG 3.47Å; I551-N565 WeakPolarHBondContact CG1-ND2 3.46Å; I551-T676 HydrophobicContact CG2-CG2 3.87Å |
| 552 | E | 91.8 | Very high | 89.3 | Confident | 88 Ų | 88 | 40.2 Ų | 40.2 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 173.2 | -69.3 | 176.1 | 169.8 | 0 | 0 | 110.7 | R548 A549 C550 A555 E556 | R548-E552 PolarHBondContact O-N 3.09Å; R548-E552 VanDerWaalsContact O-N 3.13Å; A549-E552 PolarHBondContact O-N 3.27Å; C550-E552 PolarHBondContact O-N 3.12Å; E552-A555 WeakPolarHBondContact O-CB 3.46Å; E552-A555 PolarHBondContact O-N 2.8Å; E552-E556 WeakPolarHBondContact O-CG 3.49Å; E552-E556 PolarHBondContact O-N 2.84Å |
| 553 | H | 89.2 | Confident | 89.3 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 17% | 0.167 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.8 | -43 | 175 | -174.7 | 64.4 | 0 | 0 | 0 | 112.6 | W440 A549 C550 I551 A555 E556 I557 | W440-H553 HydrophobicContact CH2-CB 4.07Å; W440-H553 HydrophobicContact CZ2-CB 4.01Å; W440-H553 AromaticContact CZ2-CD2 3.81Å; W440-H553 AromaticContact CZ2-CG 3.98Å; A549-H553 PolarHBondContact O-N 3.09Å; C550-H553 CarbonylContact O-C 3.51Å; C550-H553 WeakPolarHBondContact O-CB 3.21Å; C550-H553 PolarHBondContact O-N 3.06Å; I551-H553 VanDerWaalsContact C-N 3.33Å; H553-A555 VanDerWaalsContact C-N 3.29Å; H553-A555 PolarHBondContact O-N 3.28Å; H553-E556 IonicContact ND1-OE2 3Å; H553-E556 WeakPolarHBondContact O-CB 3.25Å; H553-E556 PolarHBondContact O-N 3.43Å; H553-E556 VanDerWaalsContact O-N 3.15Å; H553-I557 WeakPolarHBondContact O-CG1 3.42Å; H553-I557 PolarHBondContact O-N 3.18Å; H553-I557 VanDerWaalsContact O-N 3.15Å |
| 554 | Y | 88.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 176.3 | -77.3 | 7.2 | 0 | 0 | 0 | 111.8 | H439 C550 I551 I557 K558 R559 | H439-Y554 PolarHBondContact N-OH 2.85Å; C550-Y554 WeakPolarHBondContact O-CB 3.3Å; C550-Y554 WeakPolarHBondContact O-CD1 3.21Å; C550-Y554 PolarHBondContact O-N 3.26Å; C550-Y554 WeakPolarHBondContact SG-CE1 3.4Å; I551-Y554 HydrophobicContact CD1-CD2 4.37Å; I551-Y554 PolarHBondContact O-N 3.43Å; Y554-I557 HydrophobicContact CD1-CD1 4.29Å; Y554-I557 PolarHBondContact O-N 3.25Å; Y554-K558 WeakPolarHBondContact O-CA 3.43Å; Y554-K558 PolarHBondContact O-N 3.49Å; Y554-R559 HydrophobicContact CD1-CB 4.46Å; Y554-R559 HydrophobicContact CG-CB 4.22Å; Y554-R559 HydrophobicContact CG-CG 4.48Å; Y554-R559 PolarHBondContact O-N 3.02Å; Y554-R559 PolarHBondContact OH-NH1 2.77Å |
| 555 | A | 89 | Confident | 89 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I551 E552 H553 K558 C674 T676 | I551-A555 WeakPolarHBondContact O-CB 3.32Å; I551-A555 PolarHBondContact O-N 3.13Å; E552-A555 WeakPolarHBondContact O-CB 3.46Å; E552-A555 PolarHBondContact O-N 2.8Å; H553-A555 VanDerWaalsContact C-N 3.29Å; H553-A555 PolarHBondContact O-N 3.28Å; A555-K558 PolarHBondContact O-N 3.17Å; A555-C674 HydrophobicContact CB-CB 4.13Å; A555-T676 WeakPolarHBondContact CB-OG1 3.47Å |
| 556 | E | 86.7 | Confident | 89 | Confident | 152 Ų | 152 | 40.6 Ų | 40.6 | 71% | 0.71 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64.9 | -43.1 | 176.9 | -69.2 | 174.7 | 174 | 0 | 0 | 112.3 | E552 H553 K558 | E552-E556 WeakPolarHBondContact O-CG 3.49Å; E552-E556 PolarHBondContact O-N 2.84Å; H553-E556 IonicContact ND1-OE2 3Å; H553-E556 WeakPolarHBondContact O-CB 3.25Å; H553-E556 PolarHBondContact O-N 3.43Å; H553-E556 VanDerWaalsContact O-N 3.15Å; E556-K558 VanDerWaalsContact C-N 3.33Å |
| 557 | I | 79.1 | Confident | 88.9 | Confident | 64 Ų | 64 | 41 Ų | 41 | 33% | 0.328 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -87.5 | 0.3 | -179.6 | 67.9 | 174 | 0 | 0 | 0 | 113.5 | H486 H553 Y554 R559 | H486-I557 WeakPolarHBondContact CE1-CD1 3.32Å; H553-I557 WeakPolarHBondContact O-CG1 3.42Å; H553-I557 PolarHBondContact O-N 3.18Å; H553-I557 VanDerWaalsContact O-N 3.15Å; Y554-I557 HydrophobicContact CD1-CD1 4.29Å; Y554-I557 PolarHBondContact O-N 3.25Å; I557-R559 HydrophobicContact CD1-CB 3.88Å; I557-R559 HydrophobicContact CG1-CB 3.82Å |
| 558 | K | 82.1 | Confident | 88.8 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 46% | 0.461 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 51.3 | -176.4 | -53.6 | -176.6 | 178.2 | -172.3 | 0 | 112.9 | Y554 A555 E556 L675 | Y554-K558 WeakPolarHBondContact O-CA 3.43Å; Y554-K558 PolarHBondContact O-N 3.49Å; A555-K558 PolarHBondContact O-N 3.17Å; E556-K558 VanDerWaalsContact C-N 3.33Å; K558-L675 HydrophobicContact CB-CD1 4.42Å; K558-L675 VanDerWaalsContact O-CD1 3.26Å; K558-L675 WeakPolarHBondContact O-CD1 3.37Å |
| 559 | R | 79.1 | Confident | 88.8 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 15% | 0.151 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -101.8 | 139 | 176.3 | -173.9 | 172.7 | -175 | -155.6 | -7.3 | 111 | D438 H486 Y554 I557 | D438-R559 IonicContact OD1-CZ 3.74Å; D438-R559 IonicContact OD1-NH1 2.68Å; D438-R559 IonicContact OD1-NH2 3.73Å; D438-R559 PolarHBondContact OD1-NH2 2.66Å; H486-R559 PolarHBondContact CD2-NH1 2.86Å; Y554-R559 HydrophobicContact CD1-CB 4.46Å; Y554-R559 HydrophobicContact CG-CB 4.22Å; Y554-R559 HydrophobicContact CG-CG 4.48Å; Y554-R559 PolarHBondContact O-N 3.02Å; Y554-R559 PolarHBondContact OH-NH1 2.77Å; I557-R559 HydrophobicContact CD1-CB 3.88Å; I557-R559 HydrophobicContact CG1-CB 3.82Å |
| 560 | H | 82.5 | Confident | 88.7 | Confident | 74 Ų | 74 | 36 Ų | 36 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 141.4 | 173.9 | -75 | -77.4 | 0 | 0 | 0 | 111.9 | ||
| 561 | C | 86 | Confident | 88.6 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -90 | 139.5 | 174.7 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | I551 F563 | I551-C561 HydrophobicContact CD1-CB 4.26Å; C561-F563 VanDerWaalsContact C-N 3.33Å; C561-F563 WeakPolarHBondContact CB-O 3.36Å |
| 562 | V | 85.7 | Confident | 88.4 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -68 | -34.3 | 176.3 | -165.9 | 0 | 0 | 0 | 0 | 112.8 | P214 I415 M418 D438 H439 | P214-V562 HydrophobicContact CB-CG2 3.66Å; P214-V562 HydrophobicContact CG-CG2 3.3Å; I415-V562 HydrophobicContact CD1-CG1 4.15Å; I415-V562 HydrophobicContact CG1-CG1 4.49Å; I415-V562 HydrophobicContact CG2-CG1 3.4Å; M418-V562 HydrophobicContact SD-CB 4.48Å; M418-V562 HydrophobicContact SD-CG1 4.21Å; D438-V562 HydrophobicContact CB-CG2 4.11Å; H439-V562 WeakPolarHBondContact NE2-CB 3.48Å; H439-V562 PolarHBondContact NE2-N 3.23Å; H439-V562 VanDerWaalsContact NE2-N 3.17Å |
| 563 | F | 88.6 | Confident | 88.4 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 4% | 0.044 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -152.6 | 168.1 | 176.9 | 60.7 | -88.9 | 0 | 0 | 0 | 107.5 | I411 I415 M418 H439 W543 C561 N565 L568 | I411-F563 HydrophobicContact CD1-CD1 3.9Å; I411-F563 HydrophobicContact CD1-CD2 3.79Å; I411-F563 HydrophobicContact CD1-CE1 3.73Å; I411-F563 HydrophobicContact CD1-CE2 3.62Å; I411-F563 HydrophobicContact CD1-CG 3.94Å; I411-F563 HydrophobicContact CD1-CZ 3.6Å; I411-F563 HydrophobicContact CG1-CD2 4.23Å; I411-F563 HydrophobicContact CG1-CE2 4.33Å; I411-F563 HydrophobicContact CG2-CB 3.97Å; I411-F563 HydrophobicContact CG2-CD2 4.45Å; I411-F563 HydrophobicContact CG2-CG 4.1Å; I415-F563 HydrophobicContact CD1-CB 4.06Å; I415-F563 HydrophobicContact CD1-CD1 3.77Å; I415-F563 HydrophobicContact CD1-CG 4.24Å; M418-F563 HydrophobicContact CE-CE1 3.77Å; M418-F563 HydrophobicContact SD-CD1 4.22Å; M418-F563 HydrophobicContact SD-CE1 3.81Å; H439-F563 HydrophobicContact CB-CE1 4.46Å; H439-F563 HydrophobicContact CB-CZ 4.44Å; H439-F563 AromaticContact CD2-CE1 3.59Å; H439-F563 AromaticContact CE1-CD1 3.91Å; H439-F563 AromaticContact CE1-CE1 3.7Å; H439-F563 AromaticContact CE1-CZ 3.77Å; H439-F563 PolarHBondContact CE1-O 3.47Å; H439-F563 AromaticContact CG-CE1 3.83Å; H439-F563 AromaticContact CG-CZ 3.95Å; H439-F563 AromaticContact ND1-CE1 3.94Å; H439-F563 AromaticContact ND1-CZ 3.74Å; H439-F563 AromaticContact NE2-CD1 3.57Å; H439-F563 AromaticContact NE2-CE1 3.5Å; H439-F563 WeakPolarHBondContact NE2-CE1 3.33Å; W543-F563 HydrophobicContact CH2-CE2 4.14Å; W543-F563 AromaticContact CH2-CZ 3.84Å; W543-F563 HydrophobicContact CH2-CZ 3.84Å; W543-F563 HydrophobicContact CZ2-CZ 4.41Å; C561-F563 VanDerWaalsContact C-N 3.33Å; C561-F563 WeakPolarHBondContact CB-O 3.36Å; F563-N565 WeakPolarHBondContact CE2-OD1 3.44Å; F563-L568 HydrophobicContact CE2-CD2 3.94Å |
| 564 | S | 91 | Very high | 88.5 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | trans | -88.2 | 120.5 | 176 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | D566 E567 L568 F679 | S564-D566 VanDerWaalsContact C-N 3.27Å; S564-D566 PolarHBondContact O-N 3.14Å; S564-E567 WeakPolarHBondContact O-CB 3.3Å; S564-E567 PolarHBondContact O-N 3.07Å; S564-E567 PolarHBondContact OG-N 2.8Å; S564-L568 PolarHBondContact O-N 3.13Å; S564-L568 VanDerWaalsContact O-N 3.14Å; S564-F679 VanDerWaalsContact OG-CB 3.32Å; S564-F679 WeakPolarHBondContact OG-CB 3.48Å | ||
| 565 | N | 92.5 | Very high | 88.3 | Confident | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | 175.9 | -71.3 | 29.5 | 0 | 0 | 0 | 112.1 | H439 G547 I551 F563 L568 L569 | H439-N565 PolarHBondContact CE1-OD1 2.93Å; H439-N565 PolarHBondContact ND1-OD1 3.41Å; G547-N565 WeakPolarHBondContact CA-ND2 3.21Å; G547-N565 PolarHBondContact O-ND2 3.43Å; G547-N565 VanDerWaalsContact O-ND2 3.09Å; I551-N565 HydrophobicContact CG1-CB 3.98Å; I551-N565 VanDerWaalsContact CG1-CG 3.47Å; I551-N565 WeakPolarHBondContact CG1-ND2 3.46Å; F563-N565 WeakPolarHBondContact CE2-OD1 3.44Å; N565-L568 PolarHBondContact O-N 3.46Å; N565-L569 WeakPolarHBondContact O-CB 3.49Å; N565-L569 PolarHBondContact O-N 2.92Å |
| 566 | D | 93.5 | Very high | 88.1 | Confident | 55 Ų | 55 | 30.8 Ų | 30.8 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.9 | -37.8 | 176.8 | -63.2 | -22.2 | 0 | 0 | 0 | 111.1 | S564 L569 C570 F679 L680 | S564-D566 VanDerWaalsContact C-N 3.27Å; S564-D566 PolarHBondContact O-N 3.14Å; D566-L569 PolarHBondContact O-N 3.2Å; D566-C570 WeakPolarHBondContact O-CB 3.28Å; D566-C570 PolarHBondContact O-N 3.04Å; D566-C570 PolarHBondContact O-SG 3.47Å; D566-F679 HydrophobicContact CB-CB 4.26Å; D566-F679 HydrophobicContact CB-CD1 4.03Å; D566-L680 HydrophobicContact CB-CD1 4.09Å; D566-L680 HydrophobicContact CB-CG 3.92Å |
| 567 | E | 93 | Very high | 88 | Confident | 17 Ų | 17 | 25.3 Ų | 25.3 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.9 | -177.3 | 170.6 | 174.6 | 0 | 0 | 110.7 | K412 S564 L569 C570 T571 R669 F679 | K412-E567 IonicContact NZ-OE1 2.73Å; S564-E567 WeakPolarHBondContact O-CB 3.3Å; S564-E567 PolarHBondContact O-N 3.07Å; S564-E567 PolarHBondContact OG-N 2.8Å; E567-L569 PolarHBondContact O-N 3.42Å; E567-C570 PolarHBondContact O-N 3.35Å; E567-T571 WeakPolarHBondContact O-CB 3.47Å; E567-T571 PolarHBondContact O-N 3.43Å; E567-T571 PolarHBondContact O-OG1 3.41Å; E567-R669 IonicContact OE2-CZ 3.87Å; E567-R669 VanDerWaalsContact OE2-CZ 3.27Å; E567-R669 IonicContact OE2-NH1 3.36Å; E567-R669 PolarHBondContact OE2-NH1 3.11Å; E567-R669 IonicContact OE2-NH2 3.84Å; E567-R669 PolarHBondContact OE2-NH2 3.18Å; E567-F679 HydrophobicContact CB-CB 4.25Å; E567-F679 HydrophobicContact CB-CD1 4.06Å; E567-F679 HydrophobicContact CB-CD2 3.5Å; E567-F679 HydrophobicContact CB-CE1 4.31Å; E567-F679 HydrophobicContact CB-CE2 3.77Å; E567-F679 HydrophobicContact CB-CG 3.66Å; E567-F679 HydrophobicContact CB-CZ 4.17Å; E567-F679 HydrophobicContact CG-CD2 3.75Å; E567-F679 HydrophobicContact CG-CE2 3.57Å; E567-F679 HydrophobicContact CG-CG 4.39Å; E567-F679 HydrophobicContact CG-CZ 4.1Å |
| 568 | L | 92 | Very high | 88 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 176.3 | 175.5 | 59.6 | 0 | 0 | 0 | 111.5 | V407 F410 I411 W543 F563 S564 N565 C570 T571 L572 | V407-L568 HydrophobicContact CG2-CD2 4.16Å; V407-L568 WeakPolarHBondContact O-CD1 3.5Å; F410-L568 HydrophobicContact CB-CD1 3.89Å; I411-L568 HydrophobicContact CD1-CD2 4.2Å; I411-L568 HydrophobicContact CG1-CD1 3.88Å; I411-L568 HydrophobicContact CG1-CD2 4.09Å; I411-L568 HydrophobicContact CG1-CG 4.41Å; W543-L568 HydrophobicContact CH2-CD2 4.34Å; W543-L568 HydrophobicContact CZ3-CD2 3.85Å; F563-L568 HydrophobicContact CE2-CD2 3.94Å; S564-L568 PolarHBondContact O-N 3.13Å; S564-L568 VanDerWaalsContact O-N 3.14Å; N565-L568 PolarHBondContact O-N 3.46Å; L568-C570 PolarHBondContact O-N 2.79Å; L568-T571 WeakPolarHBondContact O-CB 3.45Å; L568-T571 PolarHBondContact O-N 3.45Å; L568-L572 HydrophobicContact CD1-CD1 4.05Å; L568-L572 HydrophobicContact CD1-CG 4.07Å; L568-L572 HydrophobicContact CG-CD1 3.96Å; L568-L572 HydrophobicContact CG-CG 4.43Å; L568-L572 WeakPolarHBondContact O-CB 3.33Å; L568-L572 VanDerWaalsContact O-CG 3.23Å; L568-L572 WeakPolarHBondContact O-CG 3.47Å; L568-L572 PolarHBondContact O-N 2.93Å |
| 569 | L | 93.5 | Very high | 87.8 | Confident | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | -178.9 | -176.6 | 60.8 | 0 | 0 | 0 | 112.2 | N565 D566 E567 L572 A573 V630 E633 F634 M637 | N565-L569 WeakPolarHBondContact O-CB 3.49Å; N565-L569 PolarHBondContact O-N 2.92Å; D566-L569 PolarHBondContact O-N 3.2Å; E567-L569 PolarHBondContact O-N 3.42Å; L569-L572 PolarHBondContact O-N 3.3Å; L569-A573 WeakPolarHBondContact O-CB 3.41Å; L569-A573 PolarHBondContact O-N 3.38Å; L569-V630 HydrophobicContact CD1-CG1 4.14Å; L569-E633 HydrophobicContact CD1-CB 4.07Å; L569-E633 HydrophobicContact CD2-CB 4.11Å; L569-F634 HydrophobicContact CG-CD2 4.24Å; L569-M637 HydrophobicContact CD2-CB 4.07Å; L569-M637 HydrophobicContact CD2-CG 4.46Å; L569-M637 HydrophobicContact CD2-SD 4.02Å |
| 570 | C | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | 174.8 | -67.1 | 0 | 0 | 0 | 0 | 111.7 | D566 E567 L568 L572 A573 E574 F679 Y764 | D566-C570 WeakPolarHBondContact O-CB 3.28Å; D566-C570 PolarHBondContact O-N 3.04Å; D566-C570 PolarHBondContact O-SG 3.47Å; E567-C570 PolarHBondContact O-N 3.35Å; L568-C570 PolarHBondContact O-N 2.79Å; C570-L572 PolarHBondContact O-N 3.2Å; C570-A573 WeakPolarHBondContact O-CB 3.5Å; C570-A573 PolarHBondContact O-N 3.43Å; C570-E574 WeakPolarHBondContact O-CG 3.28Å; C570-E574 PolarHBondContact O-N 2.83Å; C570-F679 HydrophobicContact CB-CE1 3.76Å; C570-F679 HydrophobicContact CB-CZ 4.26Å; C570-Y764 HydrophobicContact CB-CE2 3.99Å |
| 571 | T | 89.8 | Confident | 87.1 | Confident | 18 Ų | 18 | 25 Ų | 25 | 11% | 0.11 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 175 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | F410 E567 L568 A573 E574 V575 I585 | F410-T571 HydrophobicContact CB-CG2 4.16Å; E567-T571 WeakPolarHBondContact O-CB 3.47Å; E567-T571 PolarHBondContact O-N 3.43Å; E567-T571 PolarHBondContact O-OG1 3.41Å; L568-T571 WeakPolarHBondContact O-CB 3.45Å; L568-T571 PolarHBondContact O-N 3.45Å; T571-A573 VanDerWaalsContact C-N 3.34Å; T571-A573 PolarHBondContact O-N 3.13Å; T571-E574 PolarHBondContact O-N 2.97Å; T571-V575 WeakPolarHBondContact O-CG2 3.21Å; T571-V575 PolarHBondContact O-N 3.29Å; T571-I585 HydrophobicContact CG2-CD1 3.37Å; T571-I585 HydrophobicContact CG2-CG2 4.15Å |
| 572 | L | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 175.7 | -69.4 | 168.4 | 0 | 0 | 0 | 112 | V407 F410 L544 L568 L569 C570 V575 A576 L622 V630 | V407-L572 HydrophobicContact CB-CD1 4.18Å; V407-L572 HydrophobicContact CB-CD2 4.38Å; V407-L572 HydrophobicContact CG1-CD1 4.04Å; V407-L572 HydrophobicContact CG1-CD2 4.25Å; F410-L572 HydrophobicContact CB-CD2 4.39Å; F410-L572 HydrophobicContact CD2-CD2 3.34Å; F410-L572 HydrophobicContact CE2-CD2 3.68Å; F410-L572 HydrophobicContact CG-CD2 3.96Å; L544-L572 HydrophobicContact CD1-CD1 4.06Å; L544-L572 HydrophobicContact CD2-CD1 3.78Å; L568-L572 HydrophobicContact CD1-CD1 4.05Å; L568-L572 HydrophobicContact CD1-CG 4.07Å; L568-L572 HydrophobicContact CG-CD1 3.96Å; L568-L572 HydrophobicContact CG-CG 4.43Å; L568-L572 WeakPolarHBondContact O-CB 3.33Å; L568-L572 VanDerWaalsContact O-CG 3.23Å; L568-L572 WeakPolarHBondContact O-CG 3.47Å; L568-L572 PolarHBondContact O-N 2.93Å; L569-L572 PolarHBondContact O-N 3.3Å; C570-L572 PolarHBondContact O-N 3.2Å; L572-V575 PolarHBondContact O-N 3.14Å; L572-A576 WeakPolarHBondContact O-CB 3.49Å; L572-A576 PolarHBondContact O-N 3.2Å; L572-L622 HydrophobicContact CB-CD1 3.98Å; L572-L622 HydrophobicContact CD2-CD1 3.74Å; L572-L622 HydrophobicContact CD2-CD2 3.8Å; L572-L622 HydrophobicContact CD2-CG 4.31Å; L572-L622 HydrophobicContact CG-CD1 4.47Å; L572-L622 WeakPolarHBondContact O-CD1 3.31Å; L572-V630 HydrophobicContact CB-CG1 4.29Å; L572-V630 HydrophobicContact CB-CG2 3.97Å; L572-V630 HydrophobicContact CD1-CG2 4.25Å |
| 573 | A | 91.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L569 C570 T571 V575 A576 V577 V630 F634 L776 | L569-A573 WeakPolarHBondContact O-CB 3.41Å; L569-A573 PolarHBondContact O-N 3.38Å; C570-A573 WeakPolarHBondContact O-CB 3.5Å; C570-A573 PolarHBondContact O-N 3.43Å; T571-A573 VanDerWaalsContact C-N 3.34Å; T571-A573 PolarHBondContact O-N 3.13Å; A573-V575 VanDerWaalsContact C-N 3.35Å; A573-V575 PolarHBondContact O-N 3.09Å; A573-A576 PolarHBondContact O-N 3.4Å; A573-V577 WeakPolarHBondContact O-CG2 3.37Å; A573-V577 PolarHBondContact O-N 3.08Å; A573-V630 HydrophobicContact CB-CG1 4.23Å; A573-F634 HydrophobicContact CB-CD2 3.53Å; A573-F634 HydrophobicContact CB-CE2 3.54Å; A573-F634 HydrophobicContact CB-CG 4.42Å; A573-F634 HydrophobicContact CB-CZ 4.43Å; A573-L776 HydrophobicContact CB-CD1 3.93Å |
| 574 | E | 89.7 | Confident | 84.3 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.4 | -72.8 | -179.1 | 161.5 | 0 | 0 | 112.1 | C570 T571 V577 G578 N579 V580 Y764 L772 | C570-E574 WeakPolarHBondContact O-CG 3.28Å; C570-E574 PolarHBondContact O-N 2.83Å; T571-E574 PolarHBondContact O-N 2.97Å; E574-V577 PolarHBondContact O-N 2.96Å; E574-G578 PolarHBondContact O-N 3.14Å; E574-N579 HydrophobicContact CB-CB 4.37Å; E574-N579 PolarHBondContact O-N 3.38Å; E574-V580 HydrophobicContact CB-CG2 4.07Å; E574-Y764 VanDerWaalsContact CD-OH 3.3Å; E574-Y764 PolarHBondContact OE1-OH 3.5Å; E574-L772 HydrophobicContact CG-CD1 4.44Å; E574-L772 HydrophobicContact CG-CD2 4.26Å |
| 575 | V | 85.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | F410 T571 L572 A573 V577 G578 P582 I585 | F410-V575 HydrophobicContact CD1-CG2 4.19Å; F410-V575 HydrophobicContact CE1-CB 4.49Å; F410-V575 HydrophobicContact CE1-CG1 4.07Å; F410-V575 HydrophobicContact CE1-CG2 3.97Å; F410-V575 HydrophobicContact CZ-CG1 4.27Å; T571-V575 WeakPolarHBondContact O-CG2 3.21Å; T571-V575 PolarHBondContact O-N 3.29Å; L572-V575 PolarHBondContact O-N 3.14Å; A573-V575 VanDerWaalsContact C-N 3.35Å; A573-V575 PolarHBondContact O-N 3.09Å; V575-V577 VanDerWaalsContact C-N 3.28Å; V575-V577 PolarHBondContact O-N 3.3Å; V575-G578 PolarHBondContact O-N 3.08Å; V575-P582 HydrophobicContact CG1-CG 3.9Å; V575-I585 HydrophobicContact CG2-CD1 3.33Å; V575-I585 HydrophobicContact CG2-CG1 4.23Å |
| 576 | A | 84.8 | Confident | 82 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -25 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L572 A573 L622 V627 L776 R779 | L572-A576 WeakPolarHBondContact O-CB 3.49Å; L572-A576 PolarHBondContact O-N 3.2Å; A573-A576 PolarHBondContact O-N 3.4Å; A576-L622 HydrophobicContact CB-CD1 4.1Å; A576-V627 HydrophobicContact CB-CG1 4.33Å; A576-V627 HydrophobicContact CB-CG2 3.97Å; A576-L776 HydrophobicContact CB-CD2 3.51Å; A576-R779 WeakPolarHBondContact O-CD 3.25Å; A576-R779 PolarHBondContact O-NH1 2.64Å |
| 577 | V | 84.3 | Confident | 80.6 | Confident | 36 Ų | 36 | 33.3 Ų | 33.3 | 22% | 0.218 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -86.8 | -19.1 | 173.1 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | A573 E574 V575 L772 C775 L776 | A573-V577 WeakPolarHBondContact O-CG2 3.37Å; A573-V577 PolarHBondContact O-N 3.08Å; E574-V577 PolarHBondContact O-N 2.96Å; V575-V577 VanDerWaalsContact C-N 3.28Å; V575-V577 PolarHBondContact O-N 3.3Å; V577-L772 HydrophobicContact CG2-CD2 4.43Å; V577-C775 HydrophobicContact CB-CB 4.21Å; V577-C775 HydrophobicContact CG1-CB 3.51Å; V577-C775 HydrophobicContact CG2-CB 3.55Å; V577-L776 HydrophobicContact CG2-CD2 3.87Å; V577-L776 HydrophobicContact CG2-CG 3.91Å |
| 578 | G | 78 | Confident | 79.2 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 15.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | E574 V575 V580 | E574-G578 PolarHBondContact O-N 3.14Å; V575-G578 PolarHBondContact O-N 3.08Å; G578-V580 VanDerWaalsContact C-N 3.26Å |
| 579 | N | 79.7 | Confident | 77.7 | Confident | 103 Ų | 103 | 38.8 Ų | 38.8 | 55% | 0.551 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -70.8 | -25.5 | 174.8 | -72.8 | -11.7 | 0 | 0 | 0 | 112.3 | E574 L772 | E574-N579 HydrophobicContact CB-CB 4.37Å; E574-N579 PolarHBondContact O-N 3.38Å; N579-L772 WeakPolarHBondContact ND2-CD2 3.21Å |
| 580 | V | 75.4 | Confident | 76.1 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -133.8 | 133.2 | 176.8 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | E574 G578 E584 I585 | E574-V580 HydrophobicContact CB-CG2 4.07Å; G578-V580 VanDerWaalsContact C-N 3.26Å; V580-E584 HydrophobicContact CG1-CB 4.24Å; V580-I585 HydrophobicContact CB-CD1 4.09Å; V580-I585 HydrophobicContact CB-CG1 4.3Å; V580-I585 HydrophobicContact CG1-CD1 3.65Å; V580-I585 HydrophobicContact CG1-CG1 3.36Å |
| 581 | L | 69.8 | Low | 74 | Confident | 95 Ų | 95 | 43.3 Ų | 43.3 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | trans | -74.1 | 139.1 | 177.3 | -67.3 | 171.3 | 0 | 0 | 0 | 109.6 | E583 E584 I585 | L581-E583 PolarHBondContact O-N 2.8Å; L581-E583 VanDerWaalsContact O-N 3.09Å; L581-E584 HydrophobicContact CB-CG 4.04Å; L581-E584 PolarHBondContact N-OE2 2.78Å; L581-E584 PolarHBondContact O-N 2.89Å; L581-I585 PolarHBondContact O-N 3.05Å | ||
| 582 | P | 68.2 | Low | 71.9 | Confident | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -51 | -37 | 175.4 | -25.6 | 31.3 | 0 | 0 | 0 | 112.8 | F410 V575 I585 L586 | F410-P582 HydrophobicContact CE1-CB 4.47Å; V575-P582 HydrophobicContact CG1-CG 3.9Å; P582-I585 PolarHBondContact O-N 3.14Å; P582-L586 WeakPolarHBondContact O-CB 3.17Å; P582-L586 WeakPolarHBondContact O-CD1 3.08Å; P582-L586 WeakPolarHBondContact O-CG 3.3Å; P582-L586 PolarHBondContact O-N 3.28Å |
| 583 | E | 66.9 | Low | 69.3 | Low | 93 Ų | 93 | 53.4 Ų | 53.4 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 178.5 | -66.3 | 172.5 | -146.7 | 0 | 0 | 113.3 | L581 I585 L586 T587 L613 T619 | L581-E583 PolarHBondContact O-N 2.8Å; L581-E583 VanDerWaalsContact O-N 3.09Å; E583-I585 VanDerWaalsContact C-N 3.31Å; E583-I585 PolarHBondContact O-N 3.37Å; E583-L586 PolarHBondContact O-N 3.23Å; E583-T587 WeakPolarHBondContact O-CB 3.47Å; E583-T587 WeakPolarHBondContact O-CG2 3.08Å; E583-T587 PolarHBondContact O-N 2.84Å; E583-T587 PolarHBondContact O-OG1 3.28Å; E583-L613 HydrophobicContact CG-CD1 4.18Å; E583-T619 HydrophobicContact CG-CG2 4.14Å; E583-T619 VanDerWaalsContact OE1-CB 3.28Å; E583-T619 WeakPolarHBondContact OE1-CB 3.46Å; E583-T619 WeakPolarHBondContact OE1-CG2 3.17Å |
| 584 | E | 68.3 | Low | 66.2 | Low | 96 Ų | 96 | 58.4 Ų | 58.4 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 178.6 | -67.7 | 172.8 | 159.2 | 0 | 0 | 110.5 | V580 L581 T587 L588 | V580-E584 HydrophobicContact CG1-CB 4.24Å; L581-E584 HydrophobicContact CB-CG 4.04Å; L581-E584 PolarHBondContact N-OE2 2.78Å; L581-E584 PolarHBondContact O-N 2.89Å; E584-T587 WeakPolarHBondContact CA-OG1 3.18Å; E584-T587 PolarHBondContact O-OG1 3.4Å; E584-L588 WeakPolarHBondContact O-CB 3.37Å; E584-L588 WeakPolarHBondContact O-CD1 3.47Å; E584-L588 VanDerWaalsContact O-CG 3.23Å; E584-L588 WeakPolarHBondContact O-CG 3.3Å; E584-L588 PolarHBondContact O-N 3.4Å |
| 585 | I | 69.6 | Low | 63.2 | Low | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.4 | -47.9 | 175.3 | -51.9 | -156.7 | 0 | 0 | 0 | 109.9 | F410 T571 V575 V580 L581 P582 E583 T587 L588 T589 | F410-I585 HydrophobicContact CD1-CB 4.36Å; F410-I585 HydrophobicContact CD1-CG2 4.03Å; T571-I585 HydrophobicContact CG2-CD1 3.37Å; T571-I585 HydrophobicContact CG2-CG2 4.15Å; V575-I585 HydrophobicContact CG2-CD1 3.33Å; V575-I585 HydrophobicContact CG2-CG1 4.23Å; V580-I585 HydrophobicContact CB-CD1 4.09Å; V580-I585 HydrophobicContact CB-CG1 4.3Å; V580-I585 HydrophobicContact CG1-CD1 3.65Å; V580-I585 HydrophobicContact CG1-CG1 3.36Å; L581-I585 PolarHBondContact O-N 3.05Å; P582-I585 PolarHBondContact O-N 3.14Å; E583-I585 VanDerWaalsContact C-N 3.31Å; E583-I585 PolarHBondContact O-N 3.37Å; I585-T587 VanDerWaalsContact C-N 3.27Å; I585-T587 PolarHBondContact O-N 3.47Å; I585-L588 CarbonylContact O-C 3.52Å; I585-L588 PolarHBondContact O-N 2.93Å; I585-L588 VanDerWaalsContact O-N 3.08Å; I585-T589 HydrophobicContact CG2-CG2 3.5Å; I585-T589 VanDerWaalsContact CG2-CG2 3.5Å; I585-T589 WeakPolarHBondContact O-CB 3.27Å; I585-T589 WeakPolarHBondContact O-CG2 3.4Å; I585-T589 PolarHBondContact O-N 3.32Å; I585-T589 PolarHBondContact O-OG1 3.32Å |
| 586 | L | 64.6 | Low | 60.5 | Low | 10 Ų | 10 | 73.5 Ų | 73.5 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61 | -35.8 | -177.1 | -72.7 | 167.2 | 0 | 0 | 0 | 112.9 | R409 P582 E583 T589 N590 L613 | R409-L586 HydrophobicContact CB-CD2 3.77Å; R409-L586 HydrophobicContact CG-CD2 3.91Å; P582-L586 WeakPolarHBondContact O-CB 3.17Å; P582-L586 WeakPolarHBondContact O-CD1 3.08Å; P582-L586 WeakPolarHBondContact O-CG 3.3Å; P582-L586 PolarHBondContact O-N 3.28Å; E583-L586 PolarHBondContact O-N 3.23Å; L586-T589 WeakPolarHBondContact CA-OG1 3.39Å; L586-N590 WeakPolarHBondContact O-CA 3.08Å; L586-N590 WeakPolarHBondContact O-CB 3.15Å; L586-N590 PolarHBondContact O-N 2.9Å; L586-L613 HydrophobicContact CB-CD2 4.13Å; L586-L613 HydrophobicContact CD1-CD2 3.56Å; L586-L613 HydrophobicContact CG-CD2 4.46Å |
| 587 | T | 65.1 | Low | 57.8 | Low | 64 Ų | 64 | 78.3 Ų | 78.3 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 174.6 | 43 | 0 | 0 | 0 | 0 | 112.3 | E583 E584 I585 E611 | E583-T587 WeakPolarHBondContact O-CB 3.47Å; E583-T587 WeakPolarHBondContact O-CG2 3.08Å; E583-T587 PolarHBondContact O-N 2.84Å; E583-T587 PolarHBondContact O-OG1 3.28Å; E584-T587 WeakPolarHBondContact CA-OG1 3.18Å; E584-T587 PolarHBondContact O-OG1 3.4Å; I585-T587 VanDerWaalsContact C-N 3.27Å; I585-T587 PolarHBondContact O-N 3.47Å; T587-E611 WeakPolarHBondContact CG2-OE2 3.28Å |
| 588 | L | 62.8 | Low | 55 | Low | 134 Ų | 134 | 84.7 Ų | 84.7 | 70% | 0.702 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.1 | -37.9 | 173.8 | -71.8 | 167.6 | 0 | 0 | 0 | 112.8 | E584 I585 | E584-L588 WeakPolarHBondContact O-CB 3.37Å; E584-L588 WeakPolarHBondContact O-CD1 3.47Å; E584-L588 VanDerWaalsContact O-CG 3.23Å; E584-L588 WeakPolarHBondContact O-CG 3.3Å; E584-L588 PolarHBondContact O-N 3.4Å; I585-L588 CarbonylContact O-C 3.52Å; I585-L588 PolarHBondContact O-N 2.93Å; I585-L588 VanDerWaalsContact O-N 3.08Å |
| 589 | T | 60.3 | Low | 52.8 | Low | 1 Ų | 1 | 85.1 Ų | 85.1 | 1% | 0.006 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -87.9 | -28.6 | -172.1 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | R409 I411 K412 G413 I585 L586 | R409-T589 PolarHBondContact O-OG1 3.47Å; I411-T589 WeakPolarHBondContact O-CB 3.17Å; I411-T589 WeakPolarHBondContact O-CG2 3.43Å; K412-T589 HydrophobicContact CG-CG2 4.08Å; G413-T589 CarbonylContact C-O 3.56Å; G413-T589 PolarHBondContact N-O 3.08Å; I585-T589 HydrophobicContact CG2-CG2 3.5Å; I585-T589 VanDerWaalsContact CG2-CG2 3.5Å; I585-T589 WeakPolarHBondContact O-CB 3.27Å; I585-T589 WeakPolarHBondContact O-CG2 3.4Å; I585-T589 PolarHBondContact O-N 3.32Å; I585-T589 PolarHBondContact O-OG1 3.32Å; L586-T589 WeakPolarHBondContact CA-OG1 3.39Å |
| 590 | N | 60.1 | Low | 50.6 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 13% | 0.134 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -131.4 | 63.9 | -177.8 | -49.7 | -58.9 | 0 | 0 | 0 | 111.1 | K419 L586 V592 | K419-N590 PolarHBondContact NZ-OD1 2.91Å; L586-N590 WeakPolarHBondContact O-CA 3.08Å; L586-N590 WeakPolarHBondContact O-CB 3.15Å; L586-N590 PolarHBondContact O-N 2.9Å; N590-V592 PolarHBondContact O-N 3.44Å |
| 591 | P | 48.6 | Very low | 48.2 | Very low | 81 Ų | 81 | 93.9 Ų | 93.9 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | trans | -61.1 | 108.7 | 177.1 | 25.2 | -32.4 | 0 | 0 | 0 | 109 | T593 | P591-T593 PolarHBondContact O-N 3.27Š| ||
| 592 | V | 45.9 | Very low | 46.5 | Very low | 117 Ų | 117 | 95 Ų | 95 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | trans | -64.3 | 102.2 | 178.5 | 176.2 | 0 | 0 | 0 | 0 | 108 | N590 S594 | N590-V592 PolarHBondContact O-N 3.44Å; V592-S594 VanDerWaalsContact C-N 3.29Å; V592-S594 PolarHBondContact O-N 3.01Å | ||
| 593 | T | 36.8 | Very low | 44.8 | Very low | 113 Ų | 113 | 101.6 Ų | 101.6 | 69% | 0.693 | 58% | 0.577 | S | S | * | * | trans | 15.9 | 63.7 | 159.6 | 36.6 | 0 | 0 | 0 | 0 | 116 | P591 Y595 | P591-T593 PolarHBondContact O-N 3.27Å; T593-Y595 PolarHBondContact O-N 3.3Å | ||
| 594 | S | 25.6 | Very low | 43.1 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 74% | 0.741 | 59% | 0.594 | S | S | * | * | trans | -79.5 | 73.5 | 160.1 | 61 | 0 | 0 | 0 | 0 | 108.2 | V592 | V592-S594 VanDerWaalsContact C-N 3.29Å; V592-S594 PolarHBondContact O-N 3.01Å | ||
| 595 | Y | 27.4 | Very low | 41.5 | Very low | 218 Ų | 218 | 108.1 Ų | 108.1 | 86% | 0.855 | 62% | 0.617 | S | S | * | * | trans | -128.6 | 58.6 | 166.9 | -89.9 | -80.4 | 0 | 0 | 0 | 109.3 | T593 | T593-Y595 PolarHBondContact O-N 3.3Š| ||
| 596 | I | 28.9 | Very low | 39.5 | Very low | 146 Ų | 146 | 115.1 Ų | 115.1 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -139.5 | 129.3 | 160.8 | -59.2 | -177 | 0 | 0 | 0 | 108.5 | ||
| 597 | S | 27.7 | Very low | 37.8 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | 70.1 | 77.9 | 169.7 | 55 | 0 | 0 | 0 | 0 | 118.7 | G599 | S597-G599 VanDerWaalsContact C-N 3.32Å; S597-G599 PolarHBondContact O-N 3.02Å | ||
| 598 | N | 26.3 | Very low | 36 | Very low | 171 Ų | 171 | 125.9 Ų | 125.9 | 91% | 0.914 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 99.7 | 131.1 | -83.7 | -21.3 | 0 | 0 | 0 | 107.1 | ||||
| 599 | G | 30.8 | Very low | 34.5 | Very low | 59 Ų | 59 | 126.2 Ų | 126.2 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | trans | -165.9 | 92 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S597 | S597-G599 VanDerWaalsContact C-N 3.32Å; S597-G599 PolarHBondContact O-N 3.02Å | ||
| 600 | E | 34.1 | Very low | 33.1 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | trans | 31.3 | 114.3 | 153.3 | -62.7 | 178.7 | 167.2 | 0 | 0 | 120.2 | ||||
| 601 | C | 25.3 | Very low | 32.2 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | 46 | 113.6 | 137.6 | -72.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 602 | S | 32.8 | Very low | 32.1 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | -170.3 | 135.8 | 102.6 | 38.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 603 | D | 33 | Very low | 32.3 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -62 | 151.8 | 179.5 | -65.7 | -60.3 | 0 | 0 | 0 | 112.6 | ||||
| 604 | N | 31 | Very low | 33 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 94.2 | 86.5 | 172.9 | -48.5 | -49 | 0 | 0 | 0 | 115.9 | ||||
| 605 | L | 34.8 | Very low | 34 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 92% | 0.921 | 72% | 0.715 | S | S | * | * | trans | -163.9 | 130.9 | 138.9 | -121.3 | 90.7 | 0 | 0 | 0 | 108.7 | ||||
| 606 | E | 28.3 | Very low | 34.9 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | -60.7 | 146.5 | 178.5 | -66.5 | -179.6 | 146.9 | 0 | 0 | 112.4 | H608 | E606-H608 PolarHBondContact O-N 3.19Š| ||
| 607 | P | 28.2 | Very low | 36 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 83% | 0.825 | 67% | 0.67 | S | S | * | * | trans | -83.1 | 82.7 | -178.3 | 34.3 | -31.6 | 0 | 0 | 0 | 110.6 | ||||
| 608 | H | 27.8 | Very low | 37 | Very low | 173 Ų | 173 | 114.8 Ų | 114.8 | 80% | 0.801 | 65% | 0.649 | S | S | * | * | trans | -93.4 | 78.6 | 158.5 | -84.4 | -62.1 | 0 | 0 | 0 | 109.4 | E606 | E606-H608 PolarHBondContact O-N 3.19Š| ||
| 609 | I | 30.5 | Very low | 37.9 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | trans | -124.1 | 92.5 | 164.7 | -56.8 | 177.5 | 0 | 0 | 0 | 106.7 | E611 | I609-E611 VanDerWaalsContact C-N 3.34Å; I609-E611 HydrophobicContact CG2-CG 4.25Å; I609-E611 PolarHBondContact O-N 2.8Å | ||
| 610 | S | 30.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 110.5 Ų | 110.5 | 72% | 0.72 | 62% | 0.62 | S | S | * | * | trans | -64.7 | 98.7 | 162.6 | 62.3 | 0 | 0 | 0 | 0 | 107.1 | K612 | S610-K612 PolarHBondContact O-N 3.5Š| ||
| 611 | E | 41.2 | Very low | 40.1 | Very low | 137 Ų | 137 | 102.7 Ų | 102.7 | 64% | 0.64 | 59% | 0.59 | S | S | * | * | trans | -63.1 | 104.5 | 173.6 | -76.6 | -175.5 | 160.1 | 0 | 0 | 108.5 | T587 I609 L613 | T587-E611 WeakPolarHBondContact CG2-OE2 3.28Å; I609-E611 VanDerWaalsContact C-N 3.34Å; I609-E611 HydrophobicContact CG2-CG 4.25Å; I609-E611 PolarHBondContact O-N 2.8Å; E611-L613 PolarHBondContact O-N 3.46Å | ||
| 612 | K | 47.3 | Very low | 42.4 | Very low | 191 Ų | 191 | 97.1 Ų | 97.1 | 83% | 0.83 | 55% | 0.551 | S | S | * | * | trans | -68.7 | 115.8 | 176.3 | -76.8 | -177.5 | 176.3 | -179.2 | 0 | 108.5 | S610 | S610-K612 PolarHBondContact O-N 3.5Š| ||
| 613 | L | 50.4 | Low | 44.4 | Very low | 41 Ų | 41 | 92.5 Ų | 92.5 | 22% | 0.215 | 52% | 0.517 | C | S | . | . | trans | -45.2 | 149.6 | 165.4 | -71.9 | 172.8 | 0 | 0 | 0 | 110.9 | E583 L586 E611 C617 T619 | E583-L613 HydrophobicContact CG-CD1 4.18Å; L586-L613 HydrophobicContact CB-CD2 4.13Å; L586-L613 HydrophobicContact CD1-CD2 3.56Å; L586-L613 HydrophobicContact CG-CD2 4.46Å; E611-L613 PolarHBondContact O-N 3.46Å; L613-C617 HydrophobicContact CB-CB 4.17Å; L613-T619 HydrophobicContact CD1-CG2 3.8Å | ||
| 614 | P | 51.6 | Low | 46.6 | Very low | 39 Ų | 39 | 85.8 Ų | 85.8 | 25% | 0.253 | 48% | 0.481 | S | S | . | . | trans | -51.3 | 139.8 | 173.3 | -24 | 33 | 0 | 0 | 0 | 111.1 | L402 G616 C617 | L402-P614 HydrophobicContact CD1-CG 4.23Å; P614-G616 PolarHBondContact O-N 2.87Å; P614-C617 WeakPolarHBondContact O-CB 3.22Å; P614-C617 PolarHBondContact O-N 3.01Å | ||
| 615 | P | 45.8 | Very low | 48.9 | Very low | 51 Ų | 51 | 80.3 Ų | 80.3 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.3 | 176.7 | -26.2 | 36.2 | 0 | 0 | 0 | 111.3 | D392 | D392-P615 HydrophobicContact CB-CB 4.24Å; D392-P615 HydrophobicContact CB-CG 3.94Å; D392-P615 WeakPolarHBondContact OD1-CG 2.95Å |
| 616 | G | 46.1 | Very low | 51.2 | Low | 54 Ų | 54 | 72 Ų | 72 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -6.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | P614 | P614-G616 PolarHBondContact O-N 2.87Š|
| 617 | C | 51.4 | Low | 54 | Low | 14 Ų | 14 | 64.3 Ų | 64.3 | 10% | 0.095 | 38% | 0.381 | C | S | . | . | trans | -94.9 | 114.1 | 166.2 | -160.4 | 0 | 0 | 0 | 0 | 107.9 | L402 D404 R409 L613 P614 | L402-C617 PolarHBondContact O-SG 3.34Å; D404-C617 WeakPolarHBondContact OD1-CA 3.31Å; R409-C617 PolarHBondContact NH1-SG 3.25Å; L613-C617 HydrophobicContact CB-CB 4.17Å; P614-C617 WeakPolarHBondContact O-CB 3.22Å; P614-C617 PolarHBondContact O-N 3.01Å | ||
| 618 | S | 49.5 | Very low | 57 | Low | 36 Ų | 36 | 59.5 Ų | 59.5 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | trans | -91.1 | 156.6 | 174.7 | 74.5 | 0 | 0 | 0 | 0 | 110.6 | D404 S620 | D404-S618 VanDerWaalsContact CG-N 3.28Å; D404-S618 VanDerWaalsContact CG-OG 3.26Å; D404-S618 PolarHBondContact OD1-N 3.44Å; D404-S618 WeakPolarHBondContact OD2-CB 3.19Å; D404-S618 PolarHBondContact OD2-N 2.88Å; D404-S618 PolarHBondContact OD2-OG 3.46Å; S618-S620 PolarHBondContact O-N 3.45Å; S618-S620 WeakPolarHBondContact OG-CB 3.33Å; S618-S620 PolarHBondContact OG-N 2.91Å; S618-S620 PolarHBondContact OG-O 3.32Å; S618-S620 PolarHBondContact OG-OG 3.42Å | ||
| 619 | T | 44.5 | Very low | 60 | Low | 86 Ų | 86 | 53.3 Ų | 53.3 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -72.1 | -8.4 | 168.1 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | E583 L613 G621 | E583-T619 HydrophobicContact CG-CG2 4.14Å; E583-T619 VanDerWaalsContact OE1-CB 3.28Å; E583-T619 WeakPolarHBondContact OE1-CB 3.46Å; E583-T619 WeakPolarHBondContact OE1-CG2 3.17Å; L613-T619 HydrophobicContact CD1-CG2 3.8Å; T619-G621 PolarHBondContact O-N 3.33Å |
| 620 | S | 50.9 | Low | 62.9 | Low | 55 Ų | 55 | 46.6 Ų | 46.6 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | trans | -71.3 | 129 | 174.6 | 79.3 | 0 | 0 | 0 | 0 | 108.7 | S618 | S618-S620 PolarHBondContact O-N 3.45Å; S618-S620 WeakPolarHBondContact OG-CB 3.33Å; S618-S620 PolarHBondContact OG-N 2.91Å; S618-S620 PolarHBondContact OG-O 3.32Å; S618-S620 PolarHBondContact OG-OG 3.42Å | ||
| 621 | G | 61.3 | Low | 65.9 | Low | 25 Ų | 25 | 43.5 Ų | 43.5 | 26% | 0.258 | 26% | 0.264 | S | S | . | . | trans | -66.1 | -150.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T619 | T619-G621 PolarHBondContact O-N 3.33Š| ||
| 622 | L | 72.8 | Confident | 68.5 | Low | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | trans | -66.1 | 136 | 177.2 | -68 | 163.6 | 0 | 0 | 0 | 110.9 | F410 L572 A576 A626 V627 V630 | F410-L622 HydrophobicContact CE2-CD2 3.93Å; F410-L622 HydrophobicContact CZ-CD2 4.4Å; L572-L622 HydrophobicContact CB-CD1 3.98Å; L572-L622 HydrophobicContact CD2-CD1 3.74Å; L572-L622 HydrophobicContact CD2-CD2 3.8Å; L572-L622 HydrophobicContact CD2-CG 4.31Å; L572-L622 HydrophobicContact CG-CD1 4.47Å; L572-L622 WeakPolarHBondContact O-CD1 3.31Å; A576-L622 HydrophobicContact CB-CD1 4.1Å; L622-A626 HydrophobicContact CB-CB 4.12Å; L622-A626 HydrophobicContact CD2-CB 4.19Å; L622-V627 HydrophobicContact CB-CG2 3.9Å; L622-V630 HydrophobicContact CD1-CG2 4.38Å | ||
| 623 | D | 74.2 | Confident | 70.8 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | trans | -62 | 156.7 | 172 | 75.8 | 73.1 | 0 | 0 | 0 | 110.8 | R405 G625 A626 V627 | R405-D623 IonicContact NH1-OD2 3.28Å; R405-D623 PolarHBondContact NH1-OD2 3.07Å; R405-D623 VanDerWaalsContact NH1-OD2 3.1Å; D623-G625 PolarHBondContact O-N 2.86Å; D623-G625 VanDerWaalsContact OD1-CA 3.3Å; D623-G625 WeakPolarHBondContact OD1-CA 3.28Å; D623-G625 PolarHBondContact OD1-N 3.2Å; D623-A626 CarbonylContact O-C 3.53Å; D623-A626 WeakPolarHBondContact O-CA 3.1Å; D623-A626 VanDerWaalsContact O-CB 3.27Å; D623-A626 WeakPolarHBondContact O-CB 3.35Å; D623-A626 PolarHBondContact O-N 2.89Å; D623-A626 PolarHBondContact OD1-N 3.06Å; D623-V627 WeakPolarHBondContact O-CG2 3.24Å; D623-V627 PolarHBondContact O-N 3.13Å | ||
| 624 | I | 80 | Confident | 72.9 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -27.1 | -172.2 | -162.8 | 51.2 | 0 | 0 | 0 | 113.7 | V627 A628 L780 F783 Y849 | I624-V627 HydrophobicContact CD1-CB 4.14Å; I624-V627 HydrophobicContact CD1-CG1 4.35Å; I624-V627 PolarHBondContact O-N 3.29Å; I624-A628 WeakPolarHBondContact O-CB 3.19Å; I624-A628 PolarHBondContact O-N 3.17Å; I624-L780 HydrophobicContact CD1-CD2 3.86Å; I624-L780 HydrophobicContact CG1-CD2 4.48Å; I624-F783 HydrophobicContact CB-CD2 4.37Å; I624-F783 HydrophobicContact CB-CE2 4.34Å; I624-F783 HydrophobicContact CB-CZ 4.48Å; I624-F783 HydrophobicContact CD1-CB 3.87Å; I624-F783 HydrophobicContact CD1-CD1 4.3Å; I624-F783 HydrophobicContact CD1-CD2 4.47Å; I624-F783 HydrophobicContact CD1-CG 3.97Å; I624-F783 HydrophobicContact CG1-CB 3.81Å; I624-F783 HydrophobicContact CG1-CD1 3.5Å; I624-F783 HydrophobicContact CG1-CD2 3.57Å; I624-F783 HydrophobicContact CG1-CE1 3.86Å; I624-F783 HydrophobicContact CG1-CE2 3.91Å; I624-F783 HydrophobicContact CG1-CG 3.33Å; I624-F783 HydrophobicContact CG1-CZ 4.04Å; I624-F783 HydrophobicContact CG2-CD2 4.21Å; I624-F783 HydrophobicContact CG2-CE1 4.13Å; I624-F783 HydrophobicContact CG2-CE2 3.69Å; I624-F783 HydrophobicContact CG2-CZ 3.63Å; I624-Y849 HydrophobicContact CB-CD1 4.06Å; I624-Y849 HydrophobicContact CB-CE1 4.42Å; I624-Y849 HydrophobicContact CD1-CD1 4.23Å; I624-Y849 HydrophobicContact CD1-CE1 3.71Å; I624-Y849 HydrophobicContact CG1-CD1 3.95Å; I624-Y849 HydrophobicContact CG1-CE1 3.91Å |
| 625 | G | 79.4 | Confident | 75.1 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.9 | -41.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D623 A628 I629 | D623-G625 PolarHBondContact O-N 2.86Å; D623-G625 VanDerWaalsContact OD1-CA 3.3Å; D623-G625 WeakPolarHBondContact OD1-CA 3.28Å; D623-G625 PolarHBondContact OD1-N 3.2Å; G625-A628 PolarHBondContact O-N 2.89Å; G625-I629 WeakPolarHBondContact O-CG1 3.15Å; G625-I629 PolarHBondContact O-N 3.49Å; G625-I629 VanDerWaalsContact O-N 3.16Å |
| 626 | A | 83.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P541 L622 D623 A628 I629 V630 | P541-A626 HydrophobicContact CB-CB 3.66Å; P541-A626 HydrophobicContact CG-CB 3.45Å; P541-A626 VanDerWaalsContact CG-CB 3.45Å; L622-A626 HydrophobicContact CB-CB 4.12Å; L622-A626 HydrophobicContact CD2-CB 4.19Å; D623-A626 CarbonylContact O-C 3.53Å; D623-A626 WeakPolarHBondContact O-CA 3.1Å; D623-A626 VanDerWaalsContact O-CB 3.27Å; D623-A626 WeakPolarHBondContact O-CB 3.35Å; D623-A626 PolarHBondContact O-N 2.89Å; D623-A626 PolarHBondContact OD1-N 3.06Å; A626-A628 VanDerWaalsContact C-N 3.32Å; A626-A628 PolarHBondContact O-N 3.33Å; A626-I629 PolarHBondContact O-N 2.95Å; A626-V630 VanDerWaalsContact O-CG2 3.3Å; A626-V630 WeakPolarHBondContact O-CG2 3.19Å; A626-V630 PolarHBondContact O-N 3.34Å |
| 627 | V | 87.3 | Confident | 79.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -40 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | A576 L622 D623 I624 I629 V630 H631 L776 L780 | A576-V627 HydrophobicContact CB-CG1 4.33Å; A576-V627 HydrophobicContact CB-CG2 3.97Å; L622-V627 HydrophobicContact CB-CG2 3.9Å; D623-V627 WeakPolarHBondContact O-CG2 3.24Å; D623-V627 PolarHBondContact O-N 3.13Å; I624-V627 HydrophobicContact CD1-CB 4.14Å; I624-V627 HydrophobicContact CD1-CG1 4.35Å; I624-V627 PolarHBondContact O-N 3.29Å; V627-I629 PolarHBondContact O-N 3.38Å; V627-V630 PolarHBondContact O-N 3Å; V627-H631 WeakPolarHBondContact O-CB 3.36Å; V627-H631 PolarHBondContact O-N 3.13Å; V627-L776 HydrophobicContact CG1-CD2 4.27Å; V627-L780 HydrophobicContact CG1-CD2 4.18Å; V627-L780 HydrophobicContact CG1-CG 4.24Å |
| 628 | A | 89.4 | Confident | 81.9 | Confident | 25 Ų | 25 | 29.1 Ų | 29.1 | 21% | 0.207 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I624 G625 A626 H631 Q632 L780 | I624-A628 WeakPolarHBondContact O-CB 3.19Å; I624-A628 PolarHBondContact O-N 3.17Å; G625-A628 PolarHBondContact O-N 2.89Å; A626-A628 VanDerWaalsContact C-N 3.32Å; A626-A628 PolarHBondContact O-N 3.33Å; A628-H631 PolarHBondContact O-N 3.49Å; A628-Q632 PolarHBondContact O-N 2.89Å; A628-L780 HydrophobicContact CB-CD2 3.83Å |
| 629 | I | 91.1 | Very high | 84.1 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 22% | 0.221 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.8 | -61.5 | 162.4 | 0 | 0 | 0 | 110.8 | P541 D542 L544 G625 A626 V627 H631 Q632 E633 | P541-I629 HydrophobicContact CB-CD1 4.06Å; P541-I629 WeakPolarHBondContact O-CG2 3.1Å; D542-I629 HydrophobicContact CB-CD1 4.37Å; L544-I629 HydrophobicContact CB-CG2 4.3Å; L544-I629 HydrophobicContact CD1-CG2 4.18Å; G625-I629 WeakPolarHBondContact O-CG1 3.15Å; G625-I629 PolarHBondContact O-N 3.49Å; G625-I629 VanDerWaalsContact O-N 3.16Å; A626-I629 PolarHBondContact O-N 2.95Å; V627-I629 PolarHBondContact O-N 3.38Å; I629-H631 PolarHBondContact O-N 3.36Å; I629-Q632 PolarHBondContact O-N 2.9Å; I629-E633 HydrophobicContact CG2-CG 4.41Å; I629-E633 PolarHBondContact O-N 2.99Å |
| 630 | V | 92.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 175 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | L544 L569 L572 A573 L622 A626 V627 Q632 E633 F634 L776 | L544-V630 HydrophobicContact CD1-CG2 3.7Å; L569-V630 HydrophobicContact CD1-CG1 4.14Å; L572-V630 HydrophobicContact CB-CG1 4.29Å; L572-V630 HydrophobicContact CB-CG2 3.97Å; L572-V630 HydrophobicContact CD1-CG2 4.25Å; A573-V630 HydrophobicContact CB-CG1 4.23Å; L622-V630 HydrophobicContact CD1-CG2 4.38Å; A626-V630 VanDerWaalsContact O-CG2 3.3Å; A626-V630 WeakPolarHBondContact O-CG2 3.19Å; A626-V630 PolarHBondContact O-N 3.34Å; V627-V630 PolarHBondContact O-N 3Å; V630-Q632 PolarHBondContact O-N 2.78Å; V630-E633 PolarHBondContact O-N 3.5Å; V630-F634 WeakPolarHBondContact O-CB 3.41Å; V630-F634 PolarHBondContact O-N 3.36Å; V630-L776 HydrophobicContact CG1-CD1 4.28Å |
| 631 | H | 94.4 | Very high | 88.6 | Confident | 38 Ų | 38 | 31 Ų | 31 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 176.6 | 177.2 | -117.7 | 0 | 0 | 0 | 112.3 | V627 A628 I629 F634 T635 E773 L776 L780 | V627-H631 WeakPolarHBondContact O-CB 3.36Å; V627-H631 PolarHBondContact O-N 3.13Å; A628-H631 PolarHBondContact O-N 3.49Å; I629-H631 PolarHBondContact O-N 3.36Å; H631-F634 PolarHBondContact O-N 3.25Å; H631-T635 VanDerWaalsContact O-CB 3.31Å; H631-T635 WeakPolarHBondContact O-CB 3.19Å; H631-T635 PolarHBondContact O-N 3.39Å; H631-T635 PolarHBondContact O-OG1 3.46Å; H631-E773 IonicContact CD2-OE1 3.53Å; H631-E773 IonicContact CE1-OE1 3.14Å; H631-E773 IonicContact NE2-OE1 3.15Å; H631-E773 PolarHBondContact NE2-OE1 2.89Å; H631-L776 HydrophobicContact CB-CB 4.15Å; H631-L780 HydrophobicContact CB-CD1 3.34Å; H631-L780 VanDerWaalsContact CG-CD1 3.48Å; H631-L780 WeakPolarHBondContact ND1-CD1 3.42Å |
| 632 | Q | 94.5 | Very high | 90.2 | Very high | 122 Ų | 122 | 34 Ų | 34 | 57% | 0.57 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61 | -48.3 | 177.8 | -177 | 177.1 | -0.1 | 0 | 0 | 111.9 | A628 I629 V630 T635 C636 | A628-Q632 PolarHBondContact O-N 2.89Å; I629-Q632 PolarHBondContact O-N 2.9Å; V630-Q632 PolarHBondContact O-N 2.78Å; Q632-T635 PolarHBondContact O-N 3.34Å; Q632-C636 PolarHBondContact O-N 3.21Å; Q632-C636 VanDerWaalsContact O-N 3.14Å; Q632-C636 PolarHBondContact O-SG 3.29Å; Q632-C636 VanDerWaalsContact O-SG 3.41Å |
| 633 | E | 95.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.9 | -37.5 | 179.9 | -69.7 | -55.2 | 114.1 | 0 | 0 | 112.1 | L544 P545 R548 L569 I629 V630 T635 C636 M637 | L544-E633 HydrophobicContact CB-CG 4.12Å; P545-E633 WeakPolarHBondContact CA-OE2 3.28Å; P545-E633 HydrophobicContact CB-CG 4.38Å; R548-E633 IonicContact CZ-OE2 2.79Å; R548-E633 VanDerWaalsContact CZ-OE2 3.31Å; R548-E633 IonicContact NE-OE2 3.34Å; R548-E633 PolarHBondContact NE-OE2 3.21Å; R548-E633 IonicContact NH2-OE1 3.69Å; R548-E633 PolarHBondContact NH2-OE1 3.43Å; R548-E633 IonicContact NH2-OE2 3.69Å; R548-E633 PolarHBondContact NH2-OE2 2.88Å; L569-E633 HydrophobicContact CD1-CB 4.07Å; L569-E633 HydrophobicContact CD2-CB 4.11Å; I629-E633 HydrophobicContact CG2-CG 4.41Å; I629-E633 PolarHBondContact O-N 2.99Å; V630-E633 PolarHBondContact O-N 3.5Å; E633-T635 VanDerWaalsContact C-N 3.32Å; E633-T635 PolarHBondContact O-N 3.4Å; E633-C636 WeakPolarHBondContact O-CB 3.3Å; E633-C636 PolarHBondContact O-N 3Å; E633-M637 WeakPolarHBondContact O-CB 3.38Å; E633-M637 PolarHBondContact O-N 3.04Å |
| 634 | F | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 175.5 | -164.7 | -81.4 | 0 | 0 | 0 | 111 | L569 A573 V630 H631 M637 L638 L769 L772 E773 L776 | L569-F634 HydrophobicContact CG-CD2 4.24Å; A573-F634 HydrophobicContact CB-CD2 3.53Å; A573-F634 HydrophobicContact CB-CE2 3.54Å; A573-F634 HydrophobicContact CB-CG 4.42Å; A573-F634 HydrophobicContact CB-CZ 4.43Å; V630-F634 WeakPolarHBondContact O-CB 3.41Å; V630-F634 PolarHBondContact O-N 3.36Å; H631-F634 PolarHBondContact O-N 3.25Å; F634-M637 HydrophobicContact CD1-CE 3.91Å; F634-M637 HydrophobicContact CD2-CE 3.62Å; F634-M637 HydrophobicContact CE1-CE 3.88Å; F634-M637 HydrophobicContact CE2-CE 3.61Å; F634-M637 HydrophobicContact CG-CE 3.78Å; F634-M637 HydrophobicContact CZ-CE 3.75Å; F634-M637 PolarHBondContact O-N 3.16Å; F634-L638 VanDerWaalsContact O-CB 3.29Å; F634-L638 WeakPolarHBondContact O-CB 3.19Å; F634-L638 PolarHBondContact O-N 2.82Å; F634-L769 HydrophobicContact CE1-CB 4.43Å; F634-L769 HydrophobicContact CE1-CD2 4.47Å; F634-L769 WeakPolarHBondContact CE1-O 3.21Å; F634-L769 HydrophobicContact CE2-CD2 4.46Å; F634-L769 HydrophobicContact CZ-CB 4.43Å; F634-L769 HydrophobicContact CZ-CD2 3.73Å; F634-L772 HydrophobicContact CE1-CB 4.17Å; F634-L772 HydrophobicContact CZ-CB 3.85Å; F634-L772 HydrophobicContact CZ-CD1 4.15Å; F634-E773 HydrophobicContact CD1-CB 3.89Å; F634-E773 HydrophobicContact CD1-CG 4.25Å; F634-E773 HydrophobicContact CE1-CB 3.94Å; F634-L776 HydrophobicContact CB-CD1 4.23Å; F634-L776 HydrophobicContact CD1-CD1 4.44Å; F634-L776 HydrophobicContact CG-CD1 4.18Å |
| 635 | T | 96.2 | Very high | 93 | Very high | 28 Ų | 28 | 39 Ų | 39 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | H631 Q632 E633 K639 | H631-T635 VanDerWaalsContact O-CB 3.31Å; H631-T635 WeakPolarHBondContact O-CB 3.19Å; H631-T635 PolarHBondContact O-N 3.39Å; H631-T635 PolarHBondContact O-OG1 3.46Å; Q632-T635 PolarHBondContact O-N 3.34Å; E633-T635 VanDerWaalsContact C-N 3.32Å; E633-T635 PolarHBondContact O-N 3.4Å; T635-K639 HydrophobicContact CG2-CD 4.28Å; T635-K639 WeakPolarHBondContact O-CB 3.5Å; T635-K639 WeakPolarHBondContact O-CG 3.08Å; T635-K639 PolarHBondContact O-N 2.78Å |
| 636 | C | 95.3 | Very high | 93.7 | Very high | 46 Ų | 46 | 42 Ų | 42 | 31% | 0.311 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.5 | -48.3 | 175.9 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | Q632 E633 K639 E640 | Q632-C636 PolarHBondContact O-N 3.21Å; Q632-C636 VanDerWaalsContact O-N 3.14Å; Q632-C636 PolarHBondContact O-SG 3.29Å; Q632-C636 VanDerWaalsContact O-SG 3.41Å; E633-C636 WeakPolarHBondContact O-CB 3.3Å; E633-C636 PolarHBondContact O-N 3Å; C636-K639 PolarHBondContact O-N 2.89Å; C636-E640 PolarHBondContact O-N 3.47Å; C636-E640 VanDerWaalsContact O-N 3.12Å |
| 637 | M | 95.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 5% | 0.054 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 177.4 | 175.3 | -145.3 | 60.6 | 0 | 0 | 111.5 | L569 E633 F634 K639 E640 E641 L680 L769 | L569-M637 HydrophobicContact CD2-CB 4.07Å; L569-M637 HydrophobicContact CD2-CG 4.46Å; L569-M637 HydrophobicContact CD2-SD 4.02Å; E633-M637 WeakPolarHBondContact O-CB 3.38Å; E633-M637 PolarHBondContact O-N 3.04Å; F634-M637 HydrophobicContact CD1-CE 3.91Å; F634-M637 HydrophobicContact CD2-CE 3.62Å; F634-M637 HydrophobicContact CE1-CE 3.88Å; F634-M637 HydrophobicContact CE2-CE 3.61Å; F634-M637 HydrophobicContact CG-CE 3.78Å; F634-M637 HydrophobicContact CZ-CE 3.75Å; F634-M637 PolarHBondContact O-N 3.16Å; M637-K639 PolarHBondContact O-N 3.46Å; M637-E640 PolarHBondContact O-N 2.94Å; M637-E641 VanDerWaalsContact O-CB 3.31Å; M637-E641 WeakPolarHBondContact O-CB 3.24Å; M637-E641 PolarHBondContact O-N 3.23Å; M637-L680 HydrophobicContact CG-CD1 3.51Å; M637-L680 HydrophobicContact SD-CD1 3.61Å; M637-L680 HydrophobicContact SD-CD2 3.98Å; M637-L680 HydrophobicContact SD-CG 4.33Å; M637-L769 HydrophobicContact CE-CD2 4.46Å |
| 638 | L | 96.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 179.7 | 176.7 | 54.4 | 0 | 0 | 0 | 112.4 | F634 R642 L769 E773 | F634-L638 VanDerWaalsContact O-CB 3.29Å; F634-L638 WeakPolarHBondContact O-CB 3.19Å; F634-L638 PolarHBondContact O-N 2.82Å; L638-R642 VanDerWaalsContact O-CB 3.27Å; L638-R642 WeakPolarHBondContact O-CB 3.36Å; L638-R642 PolarHBondContact O-N 3.25Å; L638-L769 HydrophobicContact CD1-CB 3.57Å; L638-L769 HydrophobicContact CD1-CD1 4.03Å; L638-L769 HydrophobicContact CD1-CG 4.46Å; L638-L769 HydrophobicContact CD2-CB 4.44Å; L638-E773 HydrophobicContact CD2-CB 3.88Å; L638-E773 HydrophobicContact CD2-CG 4.23Å |
| 639 | K | 95.4 | Very high | 94.2 | Very high | 147 Ų | 147 | 49 Ų | 49 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -60.3 | -45.6 | 175.6 | -76.7 | 176.1 | -179.4 | 177.6 | 0 | 111.5 | T635 C636 M637 R643 | T635-K639 HydrophobicContact CG2-CD 4.28Å; T635-K639 WeakPolarHBondContact O-CB 3.5Å; T635-K639 WeakPolarHBondContact O-CG 3.08Å; T635-K639 PolarHBondContact O-N 2.78Å; C636-K639 PolarHBondContact O-N 2.89Å; M637-K639 PolarHBondContact O-N 3.46Å; K639-R643 WeakPolarHBondContact O-CB 3.02Å; K639-R643 PolarHBondContact O-N 2.83Å; K639-R643 VanDerWaalsContact O-N 3.13Å |
| 640 | E | 94.4 | Very high | 94 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.4 | -44 | 179.4 | 178.3 | 61.3 | 178.5 | 0 | 0 | 112 | C636 M637 R642 R643 L644 K744 | C636-E640 PolarHBondContact O-N 3.47Å; C636-E640 VanDerWaalsContact O-N 3.12Å; M637-E640 PolarHBondContact O-N 2.94Å; E640-R642 PolarHBondContact O-N 3.44Å; E640-R643 VanDerWaalsContact CD-NH2 3.27Å; E640-R643 PolarHBondContact O-N 3.12Å; E640-R643 IonicContact OE1-CZ 2.78Å; E640-R643 IonicContact OE1-NE 3.81Å; E640-R643 IonicContact OE1-NH2 2.86Å; E640-R643 PolarHBondContact OE1-NH2 2.77Å; E640-R643 IonicContact OE2-CZ 3.61Å; E640-R643 IonicContact OE2-NE 3.84Å; E640-R643 PolarHBondContact OE2-NE 3.22Å; E640-R643 IonicContact OE2-NH2 3.21Å; E640-R643 PolarHBondContact OE2-NH2 3.36Å; E640-L644 HydrophobicContact CG-CD1 3.86Å; E640-L644 HydrophobicContact CG-CG 4.34Å; E640-L644 WeakPolarHBondContact O-CB 3.27Å; E640-L644 VanDerWaalsContact O-CG 3.3Å; E640-L644 WeakPolarHBondContact O-CG 3.49Å; E640-L644 PolarHBondContact O-N 3.19Å; E640-K744 WeakPolarHBondContact OE1-CE 3.35Å; E640-K744 IonicContact OE1-NZ 2.64Å |
| 641 | E | 95.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 178.7 | -179.9 | 64.6 | 178.5 | 0 | 0 | 111.6 | M637 L644 R645 L680 S681 I766 L769 | M637-E641 VanDerWaalsContact O-CB 3.31Å; M637-E641 WeakPolarHBondContact O-CB 3.24Å; M637-E641 PolarHBondContact O-N 3.23Å; E641-L644 PolarHBondContact O-N 2.86Å; E641-R645 WeakPolarHBondContact O-CG 3.36Å; E641-R645 PolarHBondContact O-N 2.77Å; E641-R645 IonicContact OE1-CZ 2.72Å; E641-R645 IonicContact OE1-NE 3.33Å; E641-R645 PolarHBondContact OE1-NE 2.93Å; E641-R645 IonicContact OE1-NH2 2.86Å; E641-R645 PolarHBondContact OE1-NH2 2.94Å; E641-L680 HydrophobicContact CB-CD1 4.35Å; E641-L680 HydrophobicContact CG-CB 4.43Å; E641-L680 HydrophobicContact CG-CD1 4.31Å; E641-S681 WeakPolarHBondContact OE1-CB 3.37Å; E641-S681 PolarHBondContact OE1-OG 3.08Å; E641-S681 PolarHBondContact OE2-OG 3.43Å; E641-I766 HydrophobicContact CG-CD1 4.25Å; E641-L769 HydrophobicContact CG-CD1 4.41Å |
| 642 | R | 95.9 | Very high | 93.2 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 33% | 0.332 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.4 | -53 | 173.2 | 178.7 | -172.6 | -57 | -81.4 | -6 | 110.9 | L638 E640 L644 R645 E646 I766 C770 | L638-R642 VanDerWaalsContact O-CB 3.27Å; L638-R642 WeakPolarHBondContact O-CB 3.36Å; L638-R642 PolarHBondContact O-N 3.25Å; E640-R642 PolarHBondContact O-N 3.44Å; R642-L644 VanDerWaalsContact C-N 3.3Å; R642-L644 PolarHBondContact O-N 2.9Å; R642-R645 PolarHBondContact O-N 3.44Å; R642-E646 HydrophobicContact CG-CG 4.47Å; R642-E646 WeakPolarHBondContact CG-OE1 3.23Å; R642-E646 WeakPolarHBondContact O-CB 3.47Å; R642-E646 WeakPolarHBondContact O-CG 3.39Å; R642-E646 PolarHBondContact O-N 3.38Å; R642-I766 HydrophobicContact CB-CD1 4.46Å; R642-I766 VanDerWaalsContact CZ-CG2 3.5Å; R642-I766 VanDerWaalsContact NH1-CG2 3.35Å; R642-C770 PolarHBondContact NH2-SG 2.85Å |
| 643 | R | 96 | Very high | 92.9 | Very high | 113 Ų | 113 | 51.8 Ų | 51.8 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.8 | -43.3 | -179.2 | -171.1 | -165.7 | 68 | 73.9 | -0.7 | 111.5 | K639 E640 L647 | K639-R643 WeakPolarHBondContact O-CB 3.02Å; K639-R643 PolarHBondContact O-N 2.83Å; K639-R643 VanDerWaalsContact O-N 3.13Å; E640-R643 VanDerWaalsContact CD-NH2 3.27Å; E640-R643 PolarHBondContact O-N 3.12Å; E640-R643 IonicContact OE1-CZ 2.78Å; E640-R643 IonicContact OE1-NE 3.81Å; E640-R643 IonicContact OE1-NH2 2.86Å; E640-R643 PolarHBondContact OE1-NH2 2.77Å; E640-R643 IonicContact OE2-CZ 3.61Å; E640-R643 IonicContact OE2-NE 3.84Å; E640-R643 PolarHBondContact OE2-NE 3.22Å; E640-R643 IonicContact OE2-NH2 3.21Å; E640-R643 PolarHBondContact OE2-NH2 3.36Å; R643-L647 WeakPolarHBondContact O-CB 3.41Å; R643-L647 PolarHBondContact O-N 3.46Å |
| 644 | L | 95 | Very high | 92.3 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 179.1 | -71.6 | 172.2 | 0 | 0 | 0 | 112 | E640 E641 R642 E646 L647 I648 L743 K744 | E640-L644 HydrophobicContact CG-CD1 3.86Å; E640-L644 HydrophobicContact CG-CG 4.34Å; E640-L644 WeakPolarHBondContact O-CB 3.27Å; E640-L644 VanDerWaalsContact O-CG 3.3Å; E640-L644 WeakPolarHBondContact O-CG 3.49Å; E640-L644 PolarHBondContact O-N 3.19Å; E641-L644 PolarHBondContact O-N 2.86Å; R642-L644 VanDerWaalsContact C-N 3.3Å; R642-L644 PolarHBondContact O-N 2.9Å; L644-E646 PolarHBondContact O-N 3.15Å; L644-L647 PolarHBondContact O-N 3.27Å; L644-I648 WeakPolarHBondContact O-CG1 3.41Å; L644-I648 PolarHBondContact O-N 3.46Å; L644-L743 HydrophobicContact CB-CB 3.89Å; L644-L743 HydrophobicContact CB-CD1 3.53Å; L644-L743 HydrophobicContact CB-CG 4.36Å; L644-L743 HydrophobicContact CD1-CB 4.25Å; L644-L743 HydrophobicContact CD2-CB 4.44Å; L644-L743 HydrophobicContact CG-CB 4.43Å; L644-K744 HydrophobicContact CD1-CG 4.29Å; L644-K744 HydrophobicContact CD2-CG 3.94Å |
| 645 | R | 94.6 | Very high | 92 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 177.3 | -70.8 | -168.6 | -165.8 | 179.7 | 7.7 | 112.6 | E641 R642 I648 T649 L680 L743 L760 Y764 | E641-R645 WeakPolarHBondContact O-CG 3.36Å; E641-R645 PolarHBondContact O-N 2.77Å; E641-R645 IonicContact OE1-CZ 2.72Å; E641-R645 IonicContact OE1-NE 3.33Å; E641-R645 PolarHBondContact OE1-NE 2.93Å; E641-R645 IonicContact OE1-NH2 2.86Å; E641-R645 PolarHBondContact OE1-NH2 2.94Å; R642-R645 PolarHBondContact O-N 3.44Å; R645-I648 PolarHBondContact O-N 2.93Å; R645-T649 WeakPolarHBondContact O-CB 3.33Å; R645-T649 PolarHBondContact O-N 3.39Å; R645-T649 PolarHBondContact O-OG1 3.43Å; R645-L680 PolarHBondContact NH2-O 2.84Å; R645-L743 HydrophobicContact CG-CD1 3.77Å; R645-L760 HydrophobicContact CG-CD2 4.25Å; R645-Y764 PolarHBondContact NH1-O 3.39Å; R645-Y764 PolarHBondContact NH2-O 2.96Å |
| 646 | E | 92.7 | Very high | 91.8 | Very high | 96 Ų | 96 | 61.6 Ų | 61.6 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.4 | -74.8 | 171.3 | -174.5 | 0 | 0 | 111.2 | R642 L644 I648 T649 Q650 | R642-E646 HydrophobicContact CG-CG 4.47Å; R642-E646 WeakPolarHBondContact CG-OE1 3.23Å; R642-E646 WeakPolarHBondContact O-CB 3.47Å; R642-E646 WeakPolarHBondContact O-CG 3.39Å; R642-E646 PolarHBondContact O-N 3.38Å; L644-E646 PolarHBondContact O-N 3.15Å; E646-I648 VanDerWaalsContact C-N 3.35Å; E646-I648 PolarHBondContact O-N 3.26Å; E646-T649 PolarHBondContact O-N 3.4Å; E646-Q650 WeakPolarHBondContact O-CB 3.37Å; E646-Q650 VanDerWaalsContact O-CG 3.28Å; E646-Q650 WeakPolarHBondContact O-CG 3.27Å; E646-Q650 PolarHBondContact O-N 3.3Å |
| 647 | L | 92.4 | Very high | 91.7 | Very high | 80 Ų | 80 | 65 Ų | 65 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177 | -175.5 | 67.4 | 0 | 0 | 0 | 112.2 | R643 L644 Q650 S651 | R643-L647 WeakPolarHBondContact O-CB 3.41Å; R643-L647 PolarHBondContact O-N 3.46Å; L644-L647 PolarHBondContact O-N 3.27Å; L647-Q650 PolarHBondContact O-N 3.14Å; L647-S651 VanDerWaalsContact O-CB 3.31Å; L647-S651 WeakPolarHBondContact O-CB 3.32Å; L647-S651 PolarHBondContact O-N 3.01Å; L647-S651 PolarHBondContact O-OG 3.18Å |
| 648 | I | 90.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 178.3 | -67.5 | -45.2 | 0 | 0 | 0 | 112 | L644 R645 E646 S651 G652 V653 V683 L743 V746 | L644-I648 WeakPolarHBondContact O-CG1 3.41Å; L644-I648 PolarHBondContact O-N 3.46Å; R645-I648 PolarHBondContact O-N 2.93Å; E646-I648 VanDerWaalsContact C-N 3.35Å; E646-I648 PolarHBondContact O-N 3.26Å; I648-S651 PolarHBondContact O-N 3.3Å; I648-G652 PolarHBondContact O-N 3.2Å; I648-V653 HydrophobicContact CG2-CB 3.77Å; I648-V653 HydrophobicContact CG2-CG1 4.29Å; I648-V653 HydrophobicContact CG2-CG2 3.68Å; I648-V653 PolarHBondContact O-N 2.85Å; I648-V683 HydrophobicContact CG2-CG2 4.32Å; I648-L743 HydrophobicContact CG1-CB 4.26Å; I648-L743 HydrophobicContact CG1-CD2 4.37Å; I648-V746 HydrophobicContact CD1-CB 3.85Å; I648-V746 HydrophobicContact CD1-CG1 4.29Å; I648-V746 HydrophobicContact CD1-CG2 3.41Å; I648-V746 VanDerWaalsContact CD1-CG2 3.41Å; I648-V746 HydrophobicContact CG1-CG2 4.05Å |
| 649 | T | 88.4 | Confident | 91.5 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 53% | 0.534 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.4 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | R645 E646 S651 G652 | R645-T649 WeakPolarHBondContact O-CB 3.33Å; R645-T649 PolarHBondContact O-N 3.39Å; R645-T649 PolarHBondContact O-OG1 3.43Å; E646-T649 PolarHBondContact O-N 3.4Å; T649-S651 VanDerWaalsContact C-N 3.28Å; T649-S651 PolarHBondContact O-N 2.78Å; T649-G652 PolarHBondContact O-N 2.95Å |
| 650 | Q | 88 | Confident | 91.3 | Very high | 156 Ų | 156 | 69.5 Ų | 69.5 | 73% | 0.729 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.2 | -29.4 | 174.8 | -69.8 | 172.5 | 18.2 | 0 | 0 | 112.9 | E646 L647 G652 | E646-Q650 WeakPolarHBondContact O-CB 3.37Å; E646-Q650 VanDerWaalsContact O-CG 3.28Å; E646-Q650 WeakPolarHBondContact O-CG 3.27Å; E646-Q650 PolarHBondContact O-N 3.3Å; L647-Q650 PolarHBondContact O-N 3.14Å; Q650-G652 PolarHBondContact O-N 2.81Å |
| 651 | S | 84.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 66.7 Ų | 66.7 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 3.8 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | L647 I648 T649 S755 | L647-S651 VanDerWaalsContact O-CB 3.31Å; L647-S651 WeakPolarHBondContact O-CB 3.32Å; L647-S651 PolarHBondContact O-N 3.01Å; L647-S651 PolarHBondContact O-OG 3.18Å; I648-S651 PolarHBondContact O-N 3.3Å; T649-S651 VanDerWaalsContact C-N 3.28Å; T649-S651 PolarHBondContact O-N 2.78Å; S651-S755 WeakPolarHBondContact O-CB 3.16Å |
| 652 | G | 84.4 | Confident | 90.6 | Very high | 35 Ų | 35 | 68.5 Ų | 68.5 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 29.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I648 T649 Q650 P654 S755 S756 | I648-G652 PolarHBondContact O-N 3.2Å; T649-G652 PolarHBondContact O-N 2.95Å; Q650-G652 PolarHBondContact O-N 2.81Å; G652-P654 VanDerWaalsContact O-CD 3.25Å; G652-P654 WeakPolarHBondContact O-CD 3.43Å; G652-S755 CarbonylContact O-C 3.52Å; G652-S756 WeakPolarHBondContact O-CA 3.36Å; G652-S756 PolarHBondContact O-N 2.89Å; G652-S756 VanDerWaalsContact O-N 3.11Å |
| 653 | V | 88 | Confident | 90.1 | Very high | 6 Ų | 6 | 70.9 Ų | 70.9 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | trans | -96.2 | 97.7 | 168.5 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | I648 F758 L760 | I648-V653 HydrophobicContact CG2-CB 3.77Å; I648-V653 HydrophobicContact CG2-CG1 4.29Å; I648-V653 HydrophobicContact CG2-CG2 3.68Å; I648-V653 PolarHBondContact O-N 2.85Å; V653-F758 HydrophobicContact CG1-CB 3.94Å; V653-F758 WeakPolarHBondContact CG1-O 3.43Å; V653-F758 HydrophobicContact CG2-CB 4.03Å; V653-F758 HydrophobicContact CG2-CD2 4.3Å; V653-L760 HydrophobicContact CG1-CB 4.46Å | ||
| 654 | P | 83.3 | Confident | 89.6 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | trans | -83.8 | -24.9 | -171.9 | 32.8 | -36.1 | 0 | 0 | 0 | 113.3 | G652 S756 | G652-P654 VanDerWaalsContact O-CD 3.25Å; G652-P654 WeakPolarHBondContact O-CD 3.43Å; P654-S756 WeakPolarHBondContact CD-O 3.43Å; P654-S756 WeakPolarHBondContact CG-O 3.34Å | ||
| 655 | N | 89.1 | Confident | 89.1 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.7 | -172.4 | -60.2 | -48.1 | 0 | 0 | 0 | 110 | V759 L760 | N655-V759 HydrophobicContact CB-CG1 4.49Å; N655-V759 HydrophobicContact CB-CG2 4.11Å; N655-V759 WeakPolarHBondContact O-CA 3.47Å; N655-L760 PolarHBondContact O-N 3.17Å |
| 656 | S | 91.7 | Very high | 88.4 | Confident | 72 Ų | 72 | 71.7 Ų | 71.7 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.4 | 170.6 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | L760 | S656-L760 CarbonylContact C-O 3.49Å; S656-L760 WeakPolarHBondContact CA-O 3.5Å |
| 657 | R | 92.9 | Very high | 87.7 | Confident | 118 Ų | 118 | 72 Ų | 72 | 45% | 0.445 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 141.8 | 173.6 | 70.5 | 178.5 | -179.1 | -177.9 | -2.5 | 110.7 | V659 V759 L760 N761 Y762 | R657-V659 HydrophobicContact CG-CG2 3.93Å; R657-V759 HydrophobicContact CB-CG1 4.32Å; R657-V759 HydrophobicContact CG-CG1 3.76Å; R657-L760 PolarHBondContact N-O 3.21Å; R657-N761 PolarHBondContact NE-OD1 3.23Å; R657-N761 PolarHBondContact NH2-OD1 3.47Å; R657-N761 WeakPolarHBondContact O-CA 3.35Å; R657-Y762 VanDerWaalsContact C-CE1 3.45Å; R657-Y762 WeakPolarHBondContact O-CD1 3.22Å; R657-Y762 PolarHBondContact O-N 2.94Å |
| 658 | K | 94.8 | Very high | 87.4 | Confident | 114 Ų | 114 | 69.7 Ų | 69.7 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 130.4 | 173.7 | -163.2 | 169.4 | -178.1 | 171.6 | 0 | 109.6 | Y762 H763 E768 | K658-Y762 CarbonylContact C-O 3.54Å; K658-Y762 VanDerWaalsContact CA-O 3.25Å; K658-Y762 WeakPolarHBondContact CA-O 3.45Å; K658-Y762 HydrophobicContact CB-CD2 4.41Å; K658-Y762 HydrophobicContact CB-CE2 3.83Å; K658-Y762 HydrophobicContact CD-CE2 4.28Å; K658-Y762 HydrophobicContact CG-CD2 4.26Å; K658-Y762 HydrophobicContact CG-CE2 3.91Å; K658-H763 WeakPolarHBondContact CE-O 3.25Å; K658-H763 WeakPolarHBondContact CG-O 3.33Å; K658-E768 IonicContact NZ-OE1 3.21Å; K658-E768 PolarHBondContact NZ-OE1 3.36Å; K658-E768 IonicContact NZ-OE2 3.31Å; K658-E768 PolarHBondContact NZ-OE2 3.02Å |
| 659 | V | 92.2 | Very high | 87.3 | Confident | 29 Ų | 29 | 70 Ų | 70 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | trans | -135.8 | 132.9 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | R657 F661 M664 N761 Y762 H763 | R657-V659 HydrophobicContact CG-CG2 3.93Å; V659-F661 HydrophobicContact CB-CD2 4.32Å; V659-F661 HydrophobicContact CB-CE2 4.18Å; V659-F661 HydrophobicContact CG1-CD2 4.42Å; V659-F661 WeakPolarHBondContact O-CD2 3.46Å; V659-F661 PolarHBondContact O-N 3.04Å; V659-F661 VanDerWaalsContact O-N 3.15Å; V659-M664 HydrophobicContact CG1-SD 3.89Å; V659-N761 HydrophobicContact CB-CB 4.32Å; V659-N761 HydrophobicContact CG2-CB 3.82Å; V659-Y762 PolarHBondContact N-O 3.15Å; V659-H763 WeakPolarHBondContact O-CA 3.44Å | ||
| 660 | K | 91.6 | Very high | 87.4 | Confident | 120 Ų | 120 | 66 Ų | 66 | 52% | 0.522 | 36% | 0.356 | S | S | . | . | trans | -82 | 90.1 | 171.8 | -70.2 | -171.7 | 177.1 | -168.4 | 0 | 110.3 | D662 E663 | K660-D662 PolarHBondContact O-N 3.47Å; K660-E663 HydrophobicContact CB-CB 4.34Å; K660-E663 HydrophobicContact CB-CG 4.13Å; K660-E663 HydrophobicContact CD-CG 4.17Å; K660-E663 WeakPolarHBondContact CD-OE1 3.46Å; K660-E663 IonicContact NZ-OE1 3.8Å; K660-E663 PolarHBondContact NZ-OE1 2.86Å; K660-E663 PolarHBondContact O-N 3.2Å | ||
| 661 | F | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -61.3 | -25.2 | 180 | -80 | -91.5 | 0 | 0 | 0 | 113.1 | V659 E663 M664 R669 L678 F679 M740 N761 H763 | V659-F661 HydrophobicContact CB-CD2 4.32Å; V659-F661 HydrophobicContact CB-CE2 4.18Å; V659-F661 HydrophobicContact CG1-CD2 4.42Å; V659-F661 WeakPolarHBondContact O-CD2 3.46Å; V659-F661 PolarHBondContact O-N 3.04Å; V659-F661 VanDerWaalsContact O-N 3.15Å; F661-E663 VanDerWaalsContact C-N 3.35Å; F661-M664 HydrophobicContact CD1-SD 4.42Å; F661-M664 PolarHBondContact O-N 2.85Å; F661-R669 HydrophobicContact CD1-CB 4.06Å; F661-R669 WeakPolarHBondContact O-CD 3.35Å; F661-R669 PolarHBondContact O-NE 3.44Å; F661-R669 PolarHBondContact O-NH1 3.49Å; F661-L678 HydrophobicContact CD1-CB 4.15Å; F661-L678 WeakPolarHBondContact CD1-O 3.43Å; F661-L678 HydrophobicContact CE1-CB 3.84Å; F661-F679 HydrophobicContact CB-CD2 4.21Å; F661-F679 WeakPolarHBondContact CD2-O 3.36Å; F661-F679 WeakPolarHBondContact CG-O 3.16Å; F661-M740 HydrophobicContact CE1-CE 4.21Å; F661-M740 HydrophobicContact CE1-SD 4.29Å; F661-N761 HydrophobicContact CE2-CB 4.05Å; F661-N761 HydrophobicContact CZ-CB 3.73Å; F661-H763 HydrophobicContact CD2-CB 4.03Å; F661-H763 PolarHBondContact N-ND1 3.05Å |
| 662 | D | 85.5 | Confident | 87.8 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -78.1 | -15.6 | -179.1 | 69.3 | -42.7 | 0 | 0 | 0 | 114.7 | K412 K660 F679 H763 | K412-D662 IonicContact NZ-OD2 2.76Å; K412-D662 PolarHBondContact NZ-OD2 2.87Å; K660-D662 PolarHBondContact O-N 3.47Å; D662-F679 HydrophobicContact CB-CE2 4.2Å; D662-H763 IonicContact OD1-CE1 3.73Å; D662-H763 PolarHBondContact OD1-CE1 3.01Å; D662-H763 VanDerWaalsContact OD1-CE1 3.24Å |
| 663 | E | 85.7 | Confident | 88.1 | Confident | 139 Ų | 139 | 60.3 Ų | 60.3 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -87.9 | -9.2 | 170.9 | -66.1 | 177.6 | -178.8 | 0 | 0 | 112 | K660 F661 | K660-E663 HydrophobicContact CB-CB 4.34Å; K660-E663 HydrophobicContact CB-CG 4.13Å; K660-E663 HydrophobicContact CD-CG 4.17Å; K660-E663 WeakPolarHBondContact CD-OE1 3.46Å; K660-E663 IonicContact NZ-OE1 3.8Å; K660-E663 PolarHBondContact NZ-OE1 2.86Å; K660-E663 PolarHBondContact O-N 3.2Å; F661-E663 VanDerWaalsContact C-N 3.35Å |
| 664 | M | 85.7 | Confident | 88.1 | Confident | 56 Ų | 56 | 60 Ų | 60 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -88.3 | 145.1 | 175.8 | -60.5 | 179.4 | 64.7 | 0 | 0 | 110.3 | V659 F661 A668 R669 M740 | V659-M664 HydrophobicContact CG1-SD 3.89Å; F661-M664 HydrophobicContact CD1-SD 4.42Å; F661-M664 PolarHBondContact O-N 2.85Å; M664-A668 HydrophobicContact CB-CB 4.42Å; M664-A668 HydrophobicContact CE-CB 3.81Å; M664-R669 HydrophobicContact CB-CB 4.3Å; M664-R669 HydrophobicContact CE-CB 4.46Å; M664-M740 HydrophobicContact CE-CE 3.6Å; M664-M740 HydrophobicContact SD-CE 4.42Å |
| 665 | S | 82.8 | Confident | 88.4 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | trans | -62.9 | 148.9 | 170 | 64 | 0 | 0 | 0 | 0 | 110.4 | D667 A668 R669 | S665-D667 PolarHBondContact O-N 3.05Å; S665-D667 VanDerWaalsContact O-N 3.1Å; S665-A668 WeakPolarHBondContact O-CA 3.46Å; S665-A668 PolarHBondContact O-N 3.03Å; S665-A668 PolarHBondContact OG-N 3.05Å; S665-R669 WeakPolarHBondContact O-CG 3.22Å; S665-R669 PolarHBondContact O-N 3.16Å | ||
| 666 | D | 81.2 | Confident | 88.5 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -32.4 | 172.1 | -74.4 | -2.9 | 0 | 0 | 0 | 110.9 | A668 R669 V670 R735 | D666-A668 VanDerWaalsContact C-N 3.29Å; D666-A668 PolarHBondContact O-N 2.79Å; D666-R669 PolarHBondContact O-N 3.11Å; D666-R669 IonicContact OD1-CZ 3.14Å; D666-R669 IonicContact OD1-NE 3.47Å; D666-R669 PolarHBondContact OD1-NE 3.46Å; D666-R669 IonicContact OD1-NH2 2.8Å; D666-R669 PolarHBondContact OD1-NH2 2.91Å; D666-V670 WeakPolarHBondContact O-CG2 3.37Å; D666-R735 PolarHBondContact O-NH2 3.1Å |
| 667 | D | 78.1 | Confident | 88.6 | Confident | 102 Ų | 102 | 52 Ų | 52 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.3 | 174.8 | -72.5 | -41.4 | 0 | 0 | 0 | 115.9 | S665 R735 | S665-D667 PolarHBondContact O-N 3.05Å; S665-D667 VanDerWaalsContact O-N 3.1Å; D667-R735 VanDerWaalsContact C-CZ 3.5Å; D667-R735 PolarHBondContact O-NE 3.22Å; D667-R735 PolarHBondContact O-NH2 2.75Å; D667-R735 IonicContact OD1-CZ 3.47Å; D667-R735 IonicContact OD1-NE 2.7Å; D667-R735 IonicContact OD1-NH1 2.78Å; D667-R735 PolarHBondContact OD1-NH1 3.11Å |
| 668 | A | 84.6 | Confident | 88.6 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -17.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | M664 S665 D666 S738 M740 | M664-A668 HydrophobicContact CB-CB 4.42Å; M664-A668 HydrophobicContact CE-CB 3.81Å; S665-A668 WeakPolarHBondContact O-CA 3.46Å; S665-A668 PolarHBondContact O-N 3.03Å; S665-A668 PolarHBondContact OG-N 3.05Å; D666-A668 VanDerWaalsContact C-N 3.29Å; D666-A668 PolarHBondContact O-N 2.79Å; A668-S738 WeakPolarHBondContact O-CB 3.44Å; A668-M740 WeakPolarHBondContact O-CE 3.46Å |
| 669 | R | 89.6 | Confident | 88.6 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -117.7 | 42 | -169.6 | 69.2 | -170.3 | -178.2 | 147.8 | 2 | 115.1 | E567 F661 M664 S665 D666 T677 L678 M740 | E567-R669 IonicContact OE2-CZ 3.87Å; E567-R669 VanDerWaalsContact OE2-CZ 3.27Å; E567-R669 IonicContact OE2-NH1 3.36Å; E567-R669 PolarHBondContact OE2-NH1 3.11Å; E567-R669 IonicContact OE2-NH2 3.84Å; E567-R669 PolarHBondContact OE2-NH2 3.18Å; F661-R669 HydrophobicContact CD1-CB 4.06Å; F661-R669 WeakPolarHBondContact O-CD 3.35Å; F661-R669 PolarHBondContact O-NE 3.44Å; F661-R669 PolarHBondContact O-NH1 3.49Å; M664-R669 HydrophobicContact CB-CB 4.3Å; M664-R669 HydrophobicContact CE-CB 4.46Å; S665-R669 WeakPolarHBondContact O-CG 3.22Å; S665-R669 PolarHBondContact O-N 3.16Å; D666-R669 PolarHBondContact O-N 3.11Å; D666-R669 IonicContact OD1-CZ 3.14Å; D666-R669 IonicContact OD1-NE 3.47Å; D666-R669 PolarHBondContact OD1-NE 3.46Å; D666-R669 IonicContact OD1-NH2 2.8Å; D666-R669 PolarHBondContact OD1-NH2 2.91Å; R669-T677 HydrophobicContact CG-CG2 3.9Å; R669-T677 CarbonylContact O-C 3.53Å; R669-L678 WeakPolarHBondContact O-CB 3.4Å; R669-L678 PolarHBondContact O-N 2.84Å; R669-M740 HydrophobicContact CB-CE 4.37Å |
| 670 | V | 90.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -115.9 | 147.5 | 180 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | D666 D672 L675 T676 S738 | D666-V670 WeakPolarHBondContact O-CG2 3.37Å; V670-D672 PolarHBondContact O-N 2.93Å; V670-L675 HydrophobicContact CG1-CB 4.21Å; V670-L675 WeakPolarHBondContact CG1-O 3.43Å; V670-T676 CarbonylContact C-O 3.56Å; V670-T676 WeakPolarHBondContact CA-O 3.49Å; V670-S738 WeakPolarHBondContact O-CB 3.31Å; V670-S738 PolarHBondContact O-OG 3.34Å |
| 671 | C | 93 | Very high | 89 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -64.2 | 120.2 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 111 | F673 C674 L675 T676 L678 C742 | C671-F673 PolarHBondContact O-N 2.73Å; C671-C674 VanDerWaalsContact CB-SG 3.53Å; C671-C674 PolarHBondContact SG-SG 2.85Å; C671-L675 WeakPolarHBondContact O-CA 3.46Å; C671-L675 PolarHBondContact O-N 2.89Å; C671-T676 PolarHBondContact N-O 3.36Å; C671-L678 HydrophobicContact CB-CD2 4.1Å; C671-C742 HydrophobicContact CB-CB 4.19Å; C671-C742 PolarHBondContact SG-N 3.19Å | ||
| 672 | D | 88.9 | Confident | 89.1 | Confident | 63 Ų | 63 | 35.2 Ų | 35.2 | 34% | 0.337 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -14.6 | 178.1 | -79.8 | -25.5 | 0 | 0 | 0 | 114 | V670 P737 S738 H739 M740 V741 | V670-D672 PolarHBondContact O-N 2.93Å; D672-P737 WeakPolarHBondContact OD1-CA 3.38Å; D672-P737 WeakPolarHBondContact OD2-CB 3.38Å; D672-S738 PolarHBondContact OD1-N 2.81Å; D672-S738 PolarHBondContact OD1-OG 3.39Å; D672-S738 VanDerWaalsContact OD1-OG 3.09Å; D672-H739 WeakPolarHBondContact OD2-CA 3.27Å; D672-H739 PolarHBondContact OD2-N 3.24Å; D672-M740 PolarHBondContact N-O 3.4Å; D672-V741 HydrophobicContact CB-CG1 4.27Å |
| 673 | F | 89.6 | Confident | 89.5 | Confident | 73 Ų | 73 | 32.9 Ų | 32.9 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -50.8 | -179.7 | -175.1 | -95.1 | 0 | 0 | 0 | 114.6 | C671 H745 E748 | C671-F673 PolarHBondContact O-N 2.73Å; F673-H745 HydrophobicContact CB-CB 4.03Å; F673-H745 HydrophobicContact CD1-CB 4.23Å; F673-H745 AromaticContact CD1-CD2 3.24Å; F673-H745 WeakPolarHBondContact CD1-CD2 3.47Å; F673-H745 AromaticContact CD1-CE1 3.75Å; F673-H745 AromaticContact CD1-CG 3.49Å; F673-H745 VanDerWaalsContact CD1-CG 3.49Å; F673-H745 AromaticContact CD1-ND1 3.78Å; F673-H745 AromaticContact CD1-NE2 3.42Å; F673-H745 WeakPolarHBondContact CD1-NE2 3.48Å; F673-H745 AromaticContact CE1-CD2 3.53Å; F673-H745 AromaticContact CE1-NE2 3.54Å; F673-H745 HydrophobicContact CG-CB 4.33Å; F673-E748 HydrophobicContact CB-CB 4.3Å; F673-E748 HydrophobicContact CD2-CB 3.87Å; F673-E748 HydrophobicContact CD2-CG 3.64Å; F673-E748 HydrophobicContact CE2-CG 3.82Å; F673-E748 HydrophobicContact CG-CB 4.22Å; F673-E748 HydrophobicContact CG-CG 4.09Å; F673-E748 HydrophobicContact CZ-CG 4.41Å |
| 674 | C | 89.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -1.5 | -174.5 | 68.4 | 0 | 0 | 0 | 0 | 114.5 | A555 C671 T676 H745 | A555-C674 HydrophobicContact CB-CB 4.13Å; C671-C674 VanDerWaalsContact CB-SG 3.53Å; C671-C674 PolarHBondContact SG-SG 2.85Å; C674-T676 PolarHBondContact O-N 3.46Å; C674-T676 VanDerWaalsContact O-N 3.14Å; C674-T676 PolarHBondContact SG-OG1 3.36Å; C674-H745 WeakPolarHBondContact CB-CE1 3.44Å; C674-H745 VanDerWaalsContact SG-CE1 3.55Å; C674-H745 PolarHBondContact SG-ND1 2.96Å; C674-H745 VanDerWaalsContact SG-ND1 3.4Å |
| 675 | L | 89.2 | Confident | 89.9 | Confident | 46 Ų | 46 | 24 Ų | 24 | 24% | 0.241 | 14% | 0.136 | C | C | . | . | trans | 63.5 | 13.8 | 176.7 | -47.8 | -174.4 | 0 | 0 | 0 | 116 | K558 V670 C671 | K558-L675 HydrophobicContact CB-CD1 4.42Å; K558-L675 VanDerWaalsContact O-CD1 3.26Å; K558-L675 WeakPolarHBondContact O-CD1 3.37Å; V670-L675 HydrophobicContact CG1-CB 4.21Å; V670-L675 WeakPolarHBondContact CG1-O 3.43Å; C671-L675 WeakPolarHBondContact O-CA 3.46Å; C671-L675 PolarHBondContact O-N 2.89Å | ||
| 676 | T | 91.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 23 Ų | 23 | 14% | 0.135 | 13% | 0.129 | C | C | . | . | trans | -71.8 | 132.4 | 172.3 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | I551 A555 V670 C671 C674 L678 | I551-T676 HydrophobicContact CG2-CG2 3.87Å; A555-T676 WeakPolarHBondContact CB-OG1 3.47Å; V670-T676 CarbonylContact C-O 3.56Å; V670-T676 WeakPolarHBondContact CA-O 3.49Å; C671-T676 PolarHBondContact N-O 3.36Å; C674-T676 PolarHBondContact O-N 3.46Å; C674-T676 VanDerWaalsContact O-N 3.14Å; C674-T676 PolarHBondContact SG-OG1 3.36Å; T676-L678 PolarHBondContact O-N 3.25Å | ||
| 677 | T | 92.2 | Very high | 89.2 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 113.6 | 173.3 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | R669 | R669-T677 HydrophobicContact CG-CG2 3.9Å; R669-T677 CarbonylContact O-C 3.53Å |
| 678 | L | 93.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | trans | -76.8 | 133.6 | -177.1 | -52.6 | 178.1 | 0 | 0 | 0 | 110.6 | F661 R669 C671 T676 M740 C742 | F661-L678 HydrophobicContact CD1-CB 4.15Å; F661-L678 WeakPolarHBondContact CD1-O 3.43Å; F661-L678 HydrophobicContact CE1-CB 3.84Å; R669-L678 WeakPolarHBondContact O-CB 3.4Å; R669-L678 PolarHBondContact O-N 2.84Å; C671-L678 HydrophobicContact CB-CD2 4.1Å; T676-L678 PolarHBondContact O-N 3.25Å; L678-M740 HydrophobicContact CD1-CB 3.89Å; L678-C742 HydrophobicContact CD2-CB 3.47Å; L678-C742 VanDerWaalsContact CD2-CB 3.47Å | ||
| 679 | F | 95.1 | Very high | 87.1 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 2% | 0.022 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -132.4 | -58.2 | 173.3 | 176.6 | -100.8 | 0 | 0 | 0 | 112.6 | S564 D566 E567 C570 F661 D662 H763 Y764 | S564-F679 VanDerWaalsContact OG-CB 3.32Å; S564-F679 WeakPolarHBondContact OG-CB 3.48Å; D566-F679 HydrophobicContact CB-CB 4.26Å; D566-F679 HydrophobicContact CB-CD1 4.03Å; E567-F679 HydrophobicContact CB-CB 4.25Å; E567-F679 HydrophobicContact CB-CD1 4.06Å; E567-F679 HydrophobicContact CB-CD2 3.5Å; E567-F679 HydrophobicContact CB-CE1 4.31Å; E567-F679 HydrophobicContact CB-CE2 3.77Å; E567-F679 HydrophobicContact CB-CG 3.66Å; E567-F679 HydrophobicContact CB-CZ 4.17Å; E567-F679 HydrophobicContact CG-CD2 3.75Å; E567-F679 HydrophobicContact CG-CE2 3.57Å; E567-F679 HydrophobicContact CG-CG 4.39Å; E567-F679 HydrophobicContact CG-CZ 4.1Å; C570-F679 HydrophobicContact CB-CE1 3.76Å; C570-F679 HydrophobicContact CB-CZ 4.26Å; F661-F679 HydrophobicContact CB-CD2 4.21Å; F661-F679 WeakPolarHBondContact CD2-O 3.36Å; F661-F679 WeakPolarHBondContact CG-O 3.16Å; D662-F679 HydrophobicContact CB-CE2 4.2Å; F679-H763 AromaticContact CE2-CE1 3.74Å; F679-H763 AromaticContact CE2-ND1 3.6Å; F679-H763 AromaticContact CZ-CE1 3.97Å; F679-H763 AromaticContact CZ-ND1 3.92Å; F679-H763 VanDerWaalsContact O-CB 3.25Å; F679-H763 WeakPolarHBondContact O-CB 3.32Å; F679-Y764 HydrophobicContact CE1-CD2 4.45Å; F679-Y764 AromaticContact CE1-CE2 3.9Å; F679-Y764 HydrophobicContact CE1-CE2 3.9Å; F679-Y764 AromaticContact CZ-CE2 3.9Å; F679-Y764 HydrophobicContact CZ-CE2 3.9Å |
| 680 | L | 95.6 | Very high | 85.1 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -65 | -45.3 | -176.7 | -65.2 | 170.4 | 0 | 0 | 0 | 112.5 | D566 M637 E641 R645 Y762 H763 L769 | D566-L680 HydrophobicContact CB-CD1 4.09Å; D566-L680 HydrophobicContact CB-CG 3.92Å; M637-L680 HydrophobicContact CG-CD1 3.51Å; M637-L680 HydrophobicContact SD-CD1 3.61Å; M637-L680 HydrophobicContact SD-CD2 3.98Å; M637-L680 HydrophobicContact SD-CG 4.33Å; E641-L680 HydrophobicContact CB-CD1 4.35Å; E641-L680 HydrophobicContact CG-CB 4.43Å; E641-L680 HydrophobicContact CG-CD1 4.31Å; R645-L680 PolarHBondContact NH2-O 2.84Å; L680-Y762 CarbonylContact O-C 3.6Å; L680-Y762 WeakPolarHBondContact O-CA 3.37Å; L680-H763 PolarHBondContact O-N 3.41Å; L680-L769 HydrophobicContact CD2-CD2 4.49Å |
| 681 | S | 95.5 | Very high | 82.9 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 160.2 | -178.9 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | E641 L743 N761 | E641-S681 WeakPolarHBondContact OE1-CB 3.37Å; E641-S681 PolarHBondContact OE1-OG 3.08Å; E641-S681 PolarHBondContact OE2-OG 3.43Å; S681-L743 WeakPolarHBondContact OG-CD1 3.12Å; S681-L743 VanDerWaalsContact OG-CG 3.26Å; S681-L743 WeakPolarHBondContact OG-CG 3.31Å; S681-N761 CarbonylContact C-O 3.53Å; S681-N761 WeakPolarHBondContact CA-O 3.41Å; S681-N761 VanDerWaalsContact CB-O 3.31Å; S681-N761 WeakPolarHBondContact CB-O 3.48Å |
| 682 | G | 94.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 149.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V741 N761 | G682-V741 CarbonylContact C-O 3.54Å; G682-V741 WeakPolarHBondContact CA-O 3.2Å; G682-N761 PolarHBondContact N-O 3.05Å; G682-N761 WeakPolarHBondContact O-CA 3.35Å; G682-N761 VanDerWaalsContact O-CB 3.22Å; G682-N761 WeakPolarHBondContact O-CB 3.41Å; G682-N761 PolarHBondContact O-N 3.04Å; G682-N761 PolarHBondContact O-ND2 3.09Å |
| 683 | V | 94 | Very high | 78.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 132.2 | 179.8 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | I648 M740 V741 L743 V746 L749 F758 V759 L760 | I648-V683 HydrophobicContact CG2-CG2 4.32Å; V683-M740 WeakPolarHBondContact O-CA 3.12Å; V683-V741 HydrophobicContact CB-CG2 4.3Å; V683-V741 PolarHBondContact N-O 3.44Å; V683-V741 PolarHBondContact O-N 3.37Å; V683-L743 HydrophobicContact CG2-CD2 3.7Å; V683-V746 HydrophobicContact CB-CG2 3.97Å; V683-V746 HydrophobicContact CG1-CG1 4.21Å; V683-V746 HydrophobicContact CG1-CG2 4.5Å; V683-V746 HydrophobicContact CG2-CG2 3.51Å; V683-L749 HydrophobicContact CB-CD2 4.32Å; V683-L749 HydrophobicContact CG1-CD2 3.79Å; V683-F758 HydrophobicContact CG1-CB 3.67Å; V683-F758 HydrophobicContact CG1-CD2 4.28Å; V683-F758 HydrophobicContact CG1-CG 4.22Å; V683-V759 WeakPolarHBondContact CA-O 3.31Å; V683-L760 HydrophobicContact CG2-CD1 4.19Å |
| 684 | S | 92.2 | Very high | 75.5 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.8 | 179.4 | 63.6 | 0 | 0 | 0 | 0 | 112 | F758 V759 N761 | S684-F758 WeakPolarHBondContact O-CA 3.47Å; S684-V759 PolarHBondContact N-O 3.29Å; S684-V759 PolarHBondContact O-N 3.42Å; S684-V759 PolarHBondContact OG-O 3.22Å; S684-N761 WeakPolarHBondContact CB-ND2 3.32Å; S684-N761 PolarHBondContact OG-ND2 2.94Å |
| 685 | C | 86.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.1 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 110 | C687 I688 L749 C750 F758 | C685-C687 WeakPolarHBondContact CB-SG 3.14Å; C685-C687 PolarHBondContact O-N 3.06Å; C685-C687 VanDerWaalsContact O-N 3.13Å; C685-C687 WeakPolarHBondContact SG-CB 3.47Å; C685-C687 PolarHBondContact SG-N 3.33Å; C685-C687 VanDerWaalsContact SG-N 3.43Å; C685-C687 CovalentContact SG-SG 2.07Å; C685-C687 PolarHBondContact SG-SG 3.47Å; C685-I688 HydrophobicContact CB-CG1 4.41Å; C685-I688 PolarHBondContact O-N 3.39Å; C685-L749 HydrophobicContact CB-CD2 4.08Å; C685-L749 HydrophobicContact CB-CG 4.22Å; C685-C750 HydrophobicContact CB-CB 4.31Å; C685-F758 HydrophobicContact CB-CD1 3.95Å; C685-F758 HydrophobicContact CB-CE1 4.05Å |
| 686 | S | 76.7 | Confident | 70.6 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.4 | -22.4 | 174.9 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | I688 Y689 Q690 V757 | S686-I688 PolarHBondContact O-N 3.36Å; S686-Y689 PolarHBondContact O-N 2.86Å; S686-Q690 PolarHBondContact O-N 3.31Å; S686-V757 WeakPolarHBondContact OG-CG1 3.49Å |
| 687 | C | 72 | Confident | 67.9 | Low | 29 Ų | 29 | 59.7 Ų | 59.7 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -25.8 | 179.3 | 60.3 | 0 | 0 | 0 | 0 | 114.4 | C685 C750 C753 | C685-C687 WeakPolarHBondContact CB-SG 3.14Å; C685-C687 PolarHBondContact O-N 3.06Å; C685-C687 VanDerWaalsContact O-N 3.13Å; C685-C687 WeakPolarHBondContact SG-CB 3.47Å; C685-C687 PolarHBondContact SG-N 3.33Å; C685-C687 VanDerWaalsContact SG-N 3.43Å; C685-C687 CovalentContact SG-SG 2.07Å; C685-C687 PolarHBondContact SG-SG 3.47Å; C687-C750 PolarHBondContact SG-SG 2.75Å; C687-C753 WeakPolarHBondContact CB-SG 3.28Å |
| 688 | I | 61.7 | Low | 65.4 | Low | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -82.2 | -30.7 | -175 | -44.2 | 173.8 | 0 | 0 | 0 | 111.5 | C685 S686 Q690 S691 H739 | C685-I688 HydrophobicContact CB-CG1 4.41Å; C685-I688 PolarHBondContact O-N 3.39Å; S686-I688 PolarHBondContact O-N 3.36Å; I688-Q690 VanDerWaalsContact C-N 3.31Å; I688-Q690 PolarHBondContact O-N 3.38Å; I688-S691 PolarHBondContact O-N 3.31Å; I688-S691 PolarHBondContact O-OG 2.89Å; I688-H739 HydrophobicContact CB-CB 4.19Å; I688-H739 HydrophobicContact CD1-CB 3.86Å; I688-H739 HydrophobicContact CG2-CB 4.42Å; I688-H739 WeakPolarHBondContact CG2-CE1 3.12Å; I688-H739 WeakPolarHBondContact CG2-ND1 3.29Å |
| 689 | Y | 56.9 | Low | 62.5 | Low | 136 Ų | 136 | 74.5 Ų | 74.5 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.6 | -28.5 | 171 | -70.7 | -79.8 | 0 | 0 | 0 | 112.8 | S686 N692 T693 | S686-Y689 PolarHBondContact O-N 2.86Å; Y689-N692 PolarHBondContact O-N 2.95Å; Y689-T693 PolarHBondContact O-N 2.82Å; Y689-T693 PolarHBondContact O-OG1 3.35Å |
| 690 | Q | 48.4 | Very low | 59.5 | Low | 141 Ų | 141 | 82 Ų | 82 | 66% | 0.659 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -75.2 | -21.3 | 178.7 | -69.7 | -176.4 | -4.1 | 0 | 0 | 113.5 | S686 I688 T693 | S686-Q690 PolarHBondContact O-N 3.31Å; I688-Q690 VanDerWaalsContact C-N 3.31Å; I688-Q690 PolarHBondContact O-N 3.38Å; Q690-T693 WeakPolarHBondContact CA-OG1 3.43Å; Q690-T693 PolarHBondContact O-OG1 3.49Å |
| 691 | S | 44.2 | Very low | 56.6 | Low | 68 Ų | 68 | 86.6 Ų | 86.6 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.4 | -31.7 | 171.9 | 34.1 | 0 | 0 | 0 | 0 | 113.5 | I688 S694 | I688-S691 PolarHBondContact O-N 3.31Å; I688-S691 PolarHBondContact O-OG 2.89Å; S691-S694 PolarHBondContact O-OG 3.49Å |
| 692 | N | 41.7 | Very low | 53.7 | Low | 97 Ų | 97 | 92.6 Ų | 92.6 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -89.1 | -19.2 | -178 | -75.6 | -4.7 | 0 | 0 | 0 | 113.7 | Y689 S694 I695 | Y689-N692 PolarHBondContact O-N 2.95Å; N692-S694 PolarHBondContact O-N 2.99Å; N692-I695 PolarHBondContact O-N 3.13Å |
| 693 | T | 38.1 | Very low | 50.7 | Low | 66 Ų | 66 | 99.8 Ų | 99.8 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -1.8 | 175.2 | 34.4 | 0 | 0 | 0 | 0 | 114.3 | Y689 Q690 I695 | Y689-T693 PolarHBondContact O-N 2.82Å; Y689-T693 PolarHBondContact O-OG1 3.35Å; Q690-T693 WeakPolarHBondContact CA-OG1 3.43Å; Q690-T693 PolarHBondContact O-OG1 3.49Å; T693-I695 VanDerWaalsContact C-N 3.29Å |
| 694 | S | 34.8 | Very low | 47.7 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -19.9 | 167.8 | -20.8 | 0 | 0 | 0 | 0 | 113.1 | S691 N692 | S691-S694 PolarHBondContact O-OG 3.49Å; N692-S694 PolarHBondContact O-N 2.99Å |
| 695 | I | 39.5 | Very low | 44.9 | Very low | 135 Ų | 135 | 115 Ų | 115 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -23.1 | -173.7 | -62.9 | 178.6 | 0 | 0 | 0 | 112.1 | N692 T693 | N692-I695 PolarHBondContact O-N 3.13Å; T693-I695 VanDerWaalsContact C-N 3.29Å |
| 696 | Q | 37 | Very low | 42.3 | Very low | 159 Ų | 159 | 123 Ų | 123 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -86.4 | 0.2 | 176.2 | -77.8 | -178.4 | -17.7 | 0 | 0 | 115.1 | L698 | Q696-L698 VanDerWaalsContact C-N 3.3Å; Q696-L698 PolarHBondContact O-N 3.17Å |
| 697 | R | 35.9 | Very low | 40.1 | Very low | 220 Ų | 220 | 127.5 Ų | 127.5 | 83% | 0.83 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -87.5 | 12.5 | 179.1 | -77.8 | -174.2 | -178.7 | 167.9 | 2.3 | 114.8 | ||
| 698 | L | 38.9 | Very low | 38.3 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -107.5 | 1.4 | 180 | -89.2 | 146.3 | 0 | 0 | 0 | 114.3 | Q696 | Q696-L698 VanDerWaalsContact C-N 3.3Å; Q696-L698 PolarHBondContact O-N 3.17Å |
| 699 | E | 33.7 | Very low | 36.9 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -124.6 | 127.7 | 174.6 | -67.1 | 179.2 | 167 | 0 | 0 | 109.3 | ||
| 700 | N | 31.2 | Very low | 35.7 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | trans | 88.2 | 71.1 | 176.6 | -52.3 | -24.2 | 0 | 0 | 0 | 116.7 | ||||
| 701 | S | 35 | Very low | 34.8 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -68.8 | 140.7 | 143.3 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 702 | T | 33.6 | Very low | 34 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 63.1 | 121.4 | 164.2 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 703 | D | 31.5 | Very low | 33.4 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | cis | -178.5 | 169.5 | 45.5 | -157.7 | -10.1 | 0 | 0 | 0 | 108.5 | ||||
| 704 | R | 31.4 | Very low | 33 | Very low | 223 Ų | 223 | 152.7 Ų | 152.7 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -86.4 | 162.8 | -158.6 | -66 | 167.6 | 172.8 | -162 | -0.7 | 114.8 | ||||
| 705 | S | 34.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 158 Ų | 158 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 83.7 | 111.5 | 150.4 | 77.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 706 | L | 31.6 | Very low | 32 | Very low | 168 Ų | 168 | 161.6 Ų | 161.6 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | 172 | 110.1 | 108.5 | -94.3 | 145.1 | 0 | 0 | 0 | 110 | |||||
| 707 | D | 30.7 | Very low | 31.7 | Very low | 145 Ų | 145 | 162.4 Ų | 162.4 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -68.1 | 154.4 | 160.6 | -72 | -49.4 | 0 | 0 | 0 | 110.9 | ||||
| 708 | N | 33.6 | Very low | 31.2 | Very low | 149 Ų | 149 | 159.4 Ų | 159.4 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | 115.5 | 99.6 | 162 | -63.5 | -35.5 | 0 | 0 | 0 | 114 | ||||
| 709 | L | 32.2 | Very low | 30.8 | Very low | 177 Ų | 177 | 160.1 Ų | 160.1 | 93% | 0.927 | 83% | 0.832 | S | S | * | * | 173.4 | 112.2 | 121.7 | -91.7 | 147.2 | 0 | 0 | 0 | 109.7 | |||||
| 710 | S | 32.1 | Very low | 30.5 | Very low | 97 Ų | 97 | 159.9 Ų | 159.9 | 68% | 0.678 | 84% | 0.836 | S | S | * | * | trans | -68.1 | 154.5 | 169.7 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 711 | M | 28.9 | Very low | 30.5 | Very low | 173 Ų | 173 | 160.7 Ų | 160.7 | 85% | 0.852 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 58.2 | 79.3 | 150 | -71.3 | -176.2 | 48.6 | 0 | 0 | 117.8 | ||
| 712 | T | 28.8 | Very low | 30.1 | Very low | 152 Ų | 152 | 164.6 Ų | 164.6 | 93% | 0.933 | 84% | 0.839 | S | S | * | * | trans | -178.6 | 70 | 143.7 | 14.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 713 | A | 29.5 | Very low | 29.8 | Very low | 104 Ų | 104 | 169.2 Ų | 169.2 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -147.5 | 68.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 714 | R | 27.9 | Very low | 29.7 | Very low | 246 Ų | 246 | 170.5 Ų | 170.5 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | -95.4 | 136.7 | 150.3 | -83.2 | 179 | 171.3 | 169.9 | -3.8 | 106.4 | ||||
| 715 | K | 28.5 | Very low | 29.4 | Very low | 190 Ų | 190 | 167.9 Ų | 167.9 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | S | Bend | trans | 77.5 | 132.2 | 179.3 | -75.7 | 177.2 | 167.5 | 177.8 | 0 | 116.4 | ||
| 716 | Y | 26.1 | Very low | 29.1 | Very low | 211 Ų | 211 | 169.3 Ų | 169.3 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | 86.8 | 92.3 | 176.6 | -62.9 | -81.1 | 0 | 0 | 0 | 117.2 | ||||
| 717 | N | 29.4 | Very low | 28.8 | Very low | 175 Ų | 175 | 166.1 Ų | 166.1 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | -164.5 | 73.3 | 128.7 | -92.2 | -15.4 | 0 | 0 | 0 | 108.8 | |||||
| 718 | M | 26.9 | Very low | 28.6 | Very low | 158 Ų | 158 | 167.4 Ų | 167.4 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | trans | -100.8 | 142.6 | 148.5 | -81.4 | -138.9 | 69.7 | 0 | 0 | 106.8 | ||||
| 719 | L | 29.1 | Very low | 28.3 | Very low | 173 Ų | 173 | 161.9 Ų | 161.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | 92.1 | 69.6 | -177.3 | -57.8 | 157.7 | 0 | 0 | 0 | 115.1 | ||||
| 720 | D | 28.4 | Very low | 28 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -155.7 | 150.8 | 132.7 | -144.7 | -13.3 | 0 | 0 | 0 | 111.5 | ||||
| 721 | K | 31 | Very low | 27.9 | Very low | 180 Ų | 180 | 158.9 Ų | 158.9 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 85.4 | 67.5 | 177.6 | -56.8 | -172.6 | 175.9 | -173.9 | 0 | 117.8 | ||||
| 722 | Q | 27.2 | Very low | 27.9 | Very low | 186 Ų | 186 | 157.4 Ų | 157.4 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | -66.6 | 142.9 | 126.5 | -76 | 177.6 | -18.1 | 0 | 0 | 109 | |||||
| 723 | R | 26.2 | Very low | 28.1 | Very low | 230 Ų | 230 | 156.2 Ų | 156.2 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | 89.8 | 89.5 | 175.9 | -56.6 | 177.3 | 174.4 | -158.3 | -3 | 116 | ||||
| 724 | E | 28.7 | Very low | 28.4 | Very low | 180 Ų | 180 | 157.3 Ų | 157.3 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | -159.9 | 105.7 | 109.1 | -103 | 170.5 | -171.6 | 0 | 0 | 107.6 | I726 | E724-I726 PolarHBondContact O-N 2.89Š| |||
| 725 | I | 25.2 | Very low | 29 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 86% | 0.862 | 70% | 0.7 | S | S | * | * | trans | -84.7 | 96.9 | 173 | -65.4 | 169.1 | 0 | 0 | 0 | 105.1 | ||||
| 726 | I | 29 | Very low | 29.9 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | trans | -127.1 | 74.3 | 166.4 | -57.2 | 179.6 | 0 | 0 | 0 | 107.2 | E724 E728 | E724-I726 PolarHBondContact O-N 2.89Å; I726-E728 PolarHBondContact O-N 3.38Å; I726-E728 VanDerWaalsContact O-N 3.12Å | ||
| 727 | D | 24.9 | Very low | 31.4 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 54% | 0.535 | 67% | 0.672 | S | S | . | * | trans | 12 | 70.1 | 134.9 | -140.5 | -3.7 | 0 | 0 | 0 | 120.6 | K197 S729 | K197-D727 WeakPolarHBondContact CD-OD2 3.35Å; K197-D727 WeakPolarHBondContact CE-OD1 3.47Å; K197-D727 WeakPolarHBondContact CE-OD2 3.18Å; K197-D727 PolarHBondContact NZ-O 2.79Å; K197-D727 IonicContact NZ-OD1 2.64Å; K197-D727 PolarHBondContact NZ-OD1 2.89Å; K197-D727 VanDerWaalsContact NZ-OD1 3.15Å; K197-D727 IonicContact NZ-OD2 3.6Å; K197-D727 PolarHBondContact NZ-OD2 3.29Å; D727-S729 PolarHBondContact O-N 3.19Å; D727-S729 PolarHBondContact OD1-OG 3.43Å | ||
| 728 | E | 26.6 | Very low | 33.2 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 81% | 0.808 | 63% | 0.631 | S | S | * | * | trans | -89.5 | 86.5 | 163.6 | -73.8 | 177.3 | 173.8 | 0 | 0 | 110.6 | I726 | I726-E728 PolarHBondContact O-N 3.38Å; I726-E728 VanDerWaalsContact O-N 3.12Å | ||
| 729 | S | 28 | Very low | 35.7 | Very low | 33 Ų | 33 | 123 Ų | 123 | 23% | 0.231 | 60% | 0.598 | C | S | . | * | trans | -134 | 134.8 | 162.6 | 41.8 | 0 | 0 | 0 | 0 | 109.2 | K197 D727 | K197-S729 WeakPolarHBondContact CE-OG 3.39Å; K197-S729 WeakPolarHBondContact CG-OG 3.34Å; D727-S729 PolarHBondContact O-N 3.19Å; D727-S729 PolarHBondContact OD1-OG 3.43Å | ||
| 730 | N | 26 | Very low | 38.6 | Very low | 65 Ų | 65 | 115.2 Ų | 115.2 | 35% | 0.348 | 56% | 0.557 | S | S | . | * | trans | 100.8 | 51.6 | 179.8 | -53.1 | -24 | 0 | 0 | 0 | 118.2 | E195 | E195-N730 HydrophobicContact CB-CB 4.42Å; E195-N730 PolarHBondContact O-ND2 3.02Å | ||
| 731 | E | 29.6 | Very low | 41.7 | Very low | 145 Ų | 145 | 107.7 Ų | 107.7 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | trans | -123.7 | 138.6 | 145.7 | -69.6 | -143.7 | 166.4 | 0 | 0 | 109.5 | E733 | E731-E733 HydrophobicContact CB-CB 3.76Å; E731-E733 HydrophobicContact CB-CG 3.74Å; E731-E733 PolarHBondContact O-N 2.95Å | ||
| 732 | E | 28.7 | Very low | 44.7 | Very low | 142 Ų | 142 | 99.9 Ų | 99.9 | 66% | 0.664 | 49% | 0.485 | S | S | * | . | trans | -56.2 | 70.5 | 141.4 | -78.9 | 177.4 | 155.1 | 0 | 0 | 106.6 | R190 K734 | R190-E732 IonicContact NH1-OE1 3.51Å; E732-K734 PolarHBondContact O-N 3.03Å | ||
| 733 | E | 33.8 | Very low | 47.9 | Very low | 127 Ų | 127 | 91.5 Ų | 91.5 | 59% | 0.593 | 45% | 0.446 | S | S | * | . | trans | -78.3 | 100.3 | -168 | -138.7 | 172 | -145.6 | 0 | 0 | 104.9 | E731 R735 | E731-E733 HydrophobicContact CB-CB 3.76Å; E731-E733 HydrophobicContact CB-CG 3.74Å; E731-E733 PolarHBondContact O-N 2.95Å; E733-R735 VanDerWaalsContact C-N 3.35Å; E733-R735 PolarHBondContact O-N 2.79Å | ||
| 734 | K | 36 | Very low | 51.1 | Low | 127 Ų | 127 | 86.2 Ų | 86.2 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | trans | -45.3 | 105.7 | 172.6 | -76.2 | 166.2 | -177.7 | 141.6 | 0 | 106.5 | E732 | E732-K734 PolarHBondContact O-N 3.03Š| ||
| 735 | R | 40 | Very low | 54.1 | Low | 68 Ų | 68 | 79.6 Ų | 79.6 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | trans | -37.7 | 121.7 | 169.3 | 172.8 | 178.2 | 167.9 | 156.7 | -11.9 | 106.8 | D666 D667 E733 | D666-R735 PolarHBondContact O-NH2 3.1Å; D667-R735 VanDerWaalsContact C-CZ 3.5Å; D667-R735 PolarHBondContact O-NE 3.22Å; D667-R735 PolarHBondContact O-NH2 2.75Å; D667-R735 IonicContact OD1-CZ 3.47Å; D667-R735 IonicContact OD1-NE 2.7Å; D667-R735 IonicContact OD1-NH1 2.78Å; D667-R735 PolarHBondContact OD1-NH1 3.11Å; E733-R735 VanDerWaalsContact C-N 3.35Å; E733-R735 PolarHBondContact O-N 2.79Å | ||
| 736 | P | 47.6 | Very low | 57.2 | Low | 104 Ų | 104 | 72.3 Ų | 72.3 | 68% | 0.675 | 36% | 0.362 | S | S | * | . | trans | -52.2 | 124.4 | 176 | 18.7 | -28.3 | 0 | 0 | 0 | 105.9 | S738 | P736-S738 PolarHBondContact O-N 2.9Š| ||
| 737 | P | 58.1 | Low | 60 | Low | 60 Ų | 60 | 70.2 Ų | 70.2 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -54.6 | 138.1 | -173.3 | -9.2 | 16.3 | 0 | 0 | 0 | 107.2 | D672 H739 | D672-P737 WeakPolarHBondContact OD1-CA 3.38Å; D672-P737 WeakPolarHBondContact OD2-CB 3.38Å; P737-H739 WeakPolarHBondContact CB-ND1 3.41Å; P737-H739 PolarHBondContact O-CD2 3.19Å; P737-H739 PolarHBondContact O-CE1 3.42Å; P737-H739 VanDerWaalsContact O-CE1 3.25Å; P737-H739 VanDerWaalsContact O-CG 3.28Å; P737-H739 PolarHBondContact O-N 2.6Å; P737-H739 PolarHBondContact O-ND1 3.04Å; P737-H739 PolarHBondContact O-NE2 3.48Å | ||
| 738 | S | 66.6 | Low | 62.9 | Low | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | trans | -58 | -18.5 | 178 | 68.6 | 0 | 0 | 0 | 0 | 110.9 | A668 V670 D672 P736 M740 | A668-S738 WeakPolarHBondContact O-CB 3.44Å; V670-S738 WeakPolarHBondContact O-CB 3.31Å; V670-S738 PolarHBondContact O-OG 3.34Å; D672-S738 PolarHBondContact OD1-N 2.81Å; D672-S738 PolarHBondContact OD1-OG 3.39Å; D672-S738 VanDerWaalsContact OD1-OG 3.09Å; P736-S738 PolarHBondContact O-N 2.9Å; S738-M740 PolarHBondContact O-N 3.47Å; S738-M740 PolarHBondContact OG-N 3.05Å; S738-M740 PolarHBondContact OG-O 3.13Å; S738-M740 VanDerWaalsContact OG-O 3.08Å | ||
| 739 | H | 80.2 | Confident | 65.8 | Low | 19 Ų | 19 | 62.1 Ų | 62.1 | 9% | 0.088 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 64 | 24.2 | -174.2 | -55.5 | -35.8 | 0 | 0 | 0 | 111.1 | D672 I688 P737 | D672-H739 WeakPolarHBondContact OD2-CA 3.27Å; D672-H739 PolarHBondContact OD2-N 3.24Å; I688-H739 HydrophobicContact CB-CB 4.19Å; I688-H739 HydrophobicContact CD1-CB 3.86Å; I688-H739 HydrophobicContact CG2-CB 4.42Å; I688-H739 WeakPolarHBondContact CG2-CE1 3.12Å; I688-H739 WeakPolarHBondContact CG2-ND1 3.29Å; P737-H739 WeakPolarHBondContact CB-ND1 3.41Å; P737-H739 PolarHBondContact O-CD2 3.19Å; P737-H739 PolarHBondContact O-CE1 3.42Å; P737-H739 VanDerWaalsContact O-CE1 3.25Å; P737-H739 VanDerWaalsContact O-CG 3.28Å; P737-H739 PolarHBondContact O-N 2.6Å; P737-H739 PolarHBondContact O-ND1 3.04Å; P737-H739 PolarHBondContact O-NE2 3.48Å |
| 740 | M | 89 | Confident | 68.4 | Low | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 144.9 | -179.4 | -62.9 | -163.2 | -69.8 | 0 | 0 | 111.3 | F661 M664 A668 R669 D672 L678 V683 S738 | F661-M740 HydrophobicContact CE1-CE 4.21Å; F661-M740 HydrophobicContact CE1-SD 4.29Å; M664-M740 HydrophobicContact CE-CE 3.6Å; M664-M740 HydrophobicContact SD-CE 4.42Å; A668-M740 WeakPolarHBondContact O-CE 3.46Å; R669-M740 HydrophobicContact CB-CE 4.37Å; D672-M740 PolarHBondContact N-O 3.4Å; L678-M740 HydrophobicContact CD1-CB 3.89Å; V683-M740 WeakPolarHBondContact O-CA 3.12Å; S738-M740 PolarHBondContact O-N 3.47Å; S738-M740 PolarHBondContact OG-N 3.05Å; S738-M740 PolarHBondContact OG-O 3.13Å; S738-M740 VanDerWaalsContact OG-O 3.08Å |
| 741 | V | 93.3 | Very high | 71 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154 | 171.8 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | D672 G682 V683 H745 V746 L749 | D672-V741 HydrophobicContact CB-CG1 4.27Å; G682-V741 CarbonylContact C-O 3.54Å; G682-V741 WeakPolarHBondContact CA-O 3.2Å; V683-V741 HydrophobicContact CB-CG2 4.3Å; V683-V741 PolarHBondContact N-O 3.44Å; V683-V741 PolarHBondContact O-N 3.37Å; V741-H745 HydrophobicContact CB-CB 4.3Å; V741-H745 WeakPolarHBondContact CG2-O 3.47Å; V741-V746 HydrophobicContact CG2-CG2 4.42Å; V741-L749 HydrophobicContact CG1-CB 4.16Å; V741-L749 HydrophobicContact CG1-CD1 3.97Å; V741-L749 HydrophobicContact CG2-CB 3.75Å; V741-L749 HydrophobicContact CG2-CD1 4.1Å; V741-L749 HydrophobicContact CG2-CD2 4.34Å; V741-L749 HydrophobicContact CG2-CG 4.28Å |
| 742 | C | 94.4 | Very high | 73.5 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -67.9 | 164.4 | 170.3 | 72.7 | 0 | 0 | 0 | 0 | 110.8 | C671 L678 K744 H745 | C671-C742 HydrophobicContact CB-CB 4.19Å; C671-C742 PolarHBondContact SG-N 3.19Å; L678-C742 HydrophobicContact CD2-CB 3.47Å; L678-C742 VanDerWaalsContact CD2-CB 3.47Å; C742-K744 PolarHBondContact O-N 3.23Å; C742-K744 VanDerWaalsContact O-N 3.09Å; C742-H745 PolarHBondContact O-N 2.96Å; C742-H745 PolarHBondContact SG-ND1 3.47Å | ||
| 743 | L | 94.2 | Very high | 76.1 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -61.8 | -21.8 | -177 | -54.8 | -168.4 | 0 | 0 | 0 | 113.9 | L644 R645 I648 S681 V683 H745 L760 | L644-L743 HydrophobicContact CB-CB 3.89Å; L644-L743 HydrophobicContact CB-CD1 3.53Å; L644-L743 HydrophobicContact CB-CG 4.36Å; L644-L743 HydrophobicContact CD1-CB 4.25Å; L644-L743 HydrophobicContact CD2-CB 4.44Å; L644-L743 HydrophobicContact CG-CB 4.43Å; R645-L743 HydrophobicContact CG-CD1 3.77Å; I648-L743 HydrophobicContact CG1-CB 4.26Å; I648-L743 HydrophobicContact CG1-CD2 4.37Å; S681-L743 WeakPolarHBondContact OG-CD1 3.12Å; S681-L743 VanDerWaalsContact OG-CG 3.26Å; S681-L743 WeakPolarHBondContact OG-CG 3.31Å; V683-L743 HydrophobicContact CG2-CD2 3.7Å; L743-H745 VanDerWaalsContact C-N 3.34Å; L743-L760 HydrophobicContact CD2-CD1 3.5Å; L743-L760 VanDerWaalsContact CD2-CD1 3.5Å |
| 744 | K | 92.7 | Very high | 78.5 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -76.3 | -19.5 | 176.4 | -61.9 | -179.5 | -178.5 | 179 | 0 | 113.1 | E640 L644 C742 | E640-K744 WeakPolarHBondContact OE1-CE 3.35Å; E640-K744 IonicContact OE1-NZ 2.64Å; L644-K744 HydrophobicContact CD1-CG 4.29Å; L644-K744 HydrophobicContact CD2-CG 3.94Å; C742-K744 PolarHBondContact O-N 3.23Å; C742-K744 VanDerWaalsContact O-N 3.09Å |
| 745 | H | 92.3 | Very high | 80.8 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 19% | 0.194 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -119.7 | 25.3 | -171.9 | -60.8 | 119.9 | 0 | 0 | 0 | 113.9 | F673 C674 V741 C742 L743 S747 E748 | F673-H745 HydrophobicContact CB-CB 4.03Å; F673-H745 HydrophobicContact CD1-CB 4.23Å; F673-H745 AromaticContact CD1-CD2 3.24Å; F673-H745 WeakPolarHBondContact CD1-CD2 3.47Å; F673-H745 AromaticContact CD1-CE1 3.75Å; F673-H745 AromaticContact CD1-CG 3.49Å; F673-H745 VanDerWaalsContact CD1-CG 3.49Å; F673-H745 AromaticContact CD1-ND1 3.78Å; F673-H745 AromaticContact CD1-NE2 3.42Å; F673-H745 WeakPolarHBondContact CD1-NE2 3.48Å; F673-H745 AromaticContact CE1-CD2 3.53Å; F673-H745 AromaticContact CE1-NE2 3.54Å; F673-H745 HydrophobicContact CG-CB 4.33Å; C674-H745 WeakPolarHBondContact CB-CE1 3.44Å; C674-H745 VanDerWaalsContact SG-CE1 3.55Å; C674-H745 PolarHBondContact SG-ND1 2.96Å; C674-H745 VanDerWaalsContact SG-ND1 3.4Å; V741-H745 HydrophobicContact CB-CB 4.3Å; V741-H745 WeakPolarHBondContact CG2-O 3.47Å; C742-H745 PolarHBondContact O-N 2.96Å; C742-H745 PolarHBondContact SG-ND1 3.47Å; L743-H745 VanDerWaalsContact C-N 3.34Å; H745-S747 PolarHBondContact O-N 3.28Å; H745-E748 WeakPolarHBondContact O-CB 3.34Å; H745-E748 PolarHBondContact O-N 3.39Å |
| 746 | V | 90.5 | Very high | 82.9 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -58.5 | -31.8 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 112.9 | I648 V683 V741 E748 L749 F758 | I648-V746 HydrophobicContact CD1-CB 3.85Å; I648-V746 HydrophobicContact CD1-CG1 4.29Å; I648-V746 HydrophobicContact CD1-CG2 3.41Å; I648-V746 VanDerWaalsContact CD1-CG2 3.41Å; I648-V746 HydrophobicContact CG1-CG2 4.05Å; V683-V746 HydrophobicContact CB-CG2 3.97Å; V683-V746 HydrophobicContact CG1-CG1 4.21Å; V683-V746 HydrophobicContact CG1-CG2 4.5Å; V683-V746 HydrophobicContact CG2-CG2 3.51Å; V741-V746 HydrophobicContact CG2-CG2 4.42Å; V746-E748 PolarHBondContact O-N 3.28Å; V746-L749 WeakPolarHBondContact O-CB 3.37Å; V746-L749 PolarHBondContact O-N 2.87Å; V746-F758 HydrophobicContact CG1-CD2 3.89Å; V746-F758 HydrophobicContact CG1-CE2 4.16Å |
| 747 | S | 87.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 52.2 Ų | 52.2 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -62.2 | -24.1 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | H745 | H745-S747 PolarHBondContact O-N 3.28Š|
| 748 | E | 87.1 | Confident | 86.4 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -92.1 | -8.8 | -175.8 | -57.1 | -54.2 | 133.3 | 0 | 0 | 113.1 | F673 H745 V746 | F673-E748 HydrophobicContact CB-CB 4.3Å; F673-E748 HydrophobicContact CD2-CB 3.87Å; F673-E748 HydrophobicContact CD2-CG 3.64Å; F673-E748 HydrophobicContact CE2-CG 3.82Å; F673-E748 HydrophobicContact CG-CB 4.22Å; F673-E748 HydrophobicContact CG-CG 4.09Å; F673-E748 HydrophobicContact CZ-CG 4.41Å; H745-E748 WeakPolarHBondContact O-CB 3.34Å; H745-E748 PolarHBondContact O-N 3.39Å; V746-E748 PolarHBondContact O-N 3.28Å |
| 749 | L | 85.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -55.3 | -175 | -178.6 | 61.5 | 0 | 0 | 0 | 113.4 | V683 C685 V741 V746 F758 | V683-L749 HydrophobicContact CB-CD2 4.32Å; V683-L749 HydrophobicContact CG1-CD2 3.79Å; C685-L749 HydrophobicContact CB-CD2 4.08Å; C685-L749 HydrophobicContact CB-CG 4.22Å; V741-L749 HydrophobicContact CG1-CB 4.16Å; V741-L749 HydrophobicContact CG1-CD1 3.97Å; V741-L749 HydrophobicContact CG2-CB 3.75Å; V741-L749 HydrophobicContact CG2-CD1 4.1Å; V741-L749 HydrophobicContact CG2-CD2 4.34Å; V741-L749 HydrophobicContact CG2-CG 4.28Å; V746-L749 WeakPolarHBondContact O-CB 3.37Å; V746-L749 PolarHBondContact O-N 2.87Å; L749-F758 HydrophobicContact CD2-CD1 4.09Å; L749-F758 HydrophobicContact CD2-CD2 4.21Å; L749-F758 HydrophobicContact CD2-CE1 4.27Å; L749-F758 HydrophobicContact CD2-CE2 4.39Å; L749-F758 HydrophobicContact CD2-CG 4.08Å; L749-F758 HydrophobicContact CD2-CZ 4.43Å |
| 750 | C | 83.6 | Confident | 88.3 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | trans | -154 | 113.8 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | C685 C687 K752 F758 | C685-C750 HydrophobicContact CB-CB 4.31Å; C687-C750 PolarHBondContact SG-SG 2.75Å; C750-K752 PolarHBondContact O-N 3.25Å; C750-K752 PolarHBondContact SG-N 3.41Å; C750-K752 VanDerWaalsContact SG-N 3.36Å; C750-F758 HydrophobicContact CB-CE1 4Å; C750-F758 HydrophobicContact CB-CZ 4.16Å | ||
| 751 | K | 80.6 | Confident | 88.5 | Confident | 174 Ų | 174 | 49.9 Ų | 49.9 | 76% | 0.757 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.3 | 174.9 | -59 | -172.4 | -179.9 | -172.7 | 0 | 114.2 | ||
| 752 | K | 81.5 | Confident | 88.6 | Confident | 132 Ų | 132 | 52.1 Ų | 52.1 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -25.2 | -173.1 | -52.9 | 177.4 | 178.9 | -171.9 | 0 | 113.4 | R182 C750 | R182-K752 VanDerWaalsContact NE-CE 3.27Å; R182-K752 VanDerWaalsContact NH1-CE 3.34Å; R182-K752 VanDerWaalsContact NH1-NZ 3.16Å; C750-K752 PolarHBondContact O-N 3.25Å; C750-K752 PolarHBondContact SG-N 3.41Å; C750-K752 VanDerWaalsContact SG-N 3.36Å |
| 753 | C | 83.3 | Confident | 88.7 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -112.4 | 138 | -173.2 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | C687 F758 | C687-C753 WeakPolarHBondContact CB-SG 3.28Å; C753-F758 HydrophobicContact CB-CE1 3.9Å |
| 754 | P | 84.4 | Confident | 88.7 | Confident | 80 Ų | 80 | 53.1 Ų | 53.1 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | trans | -68.3 | 155.2 | 172.7 | 29.7 | -33 | 0 | 0 | 0 | 110.3 | S756 V757 | P754-S756 PolarHBondContact O-N 3.4Å; P754-V757 HydrophobicContact CG-CG2 4.08Å; P754-V757 PolarHBondContact O-N 2.83Å | ||
| 755 | S | 84.9 | Confident | 88.8 | Confident | 46 Ų | 46 | 48.6 Ų | 48.6 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -53.4 | -25.5 | 179.1 | -49.9 | 0 | 0 | 0 | 0 | 113.5 | S651 G652 V757 F758 | S651-S755 WeakPolarHBondContact O-CB 3.16Å; G652-S755 CarbonylContact O-C 3.52Å; S755-V757 PolarHBondContact O-N 3.12Å; S755-V757 VanDerWaalsContact O-N 3.16Å; S755-F758 WeakPolarHBondContact O-CB 3.32Å; S755-F758 PolarHBondContact O-N 3.37Å |
| 756 | S | 84.4 | Confident | 89 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 46% | 0.462 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -63.2 | -18.9 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 115 | G652 P654 P754 | G652-S756 WeakPolarHBondContact O-CA 3.36Å; G652-S756 PolarHBondContact O-N 2.89Å; G652-S756 VanDerWaalsContact O-N 3.11Å; P654-S756 WeakPolarHBondContact CD-O 3.43Å; P654-S756 WeakPolarHBondContact CG-O 3.34Å; P754-S756 PolarHBondContact O-N 3.4Å |
| 757 | V | 86.6 | Confident | 89.1 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 33% | 0.327 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -94.2 | -13.6 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | S686 P754 S755 | S686-V757 WeakPolarHBondContact OG-CG1 3.49Å; P754-V757 HydrophobicContact CG-CG2 4.08Å; P754-V757 PolarHBondContact O-N 2.83Å; S755-V757 PolarHBondContact O-N 3.12Å; S755-V757 VanDerWaalsContact O-N 3.16Å |
| 758 | F | 91.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 153 | -180 | -60 | -14.8 | 0 | 0 | 0 | 110.6 | V653 V683 S684 C685 V746 L749 C750 C753 S755 | V653-F758 HydrophobicContact CG1-CB 3.94Å; V653-F758 WeakPolarHBondContact CG1-O 3.43Å; V653-F758 HydrophobicContact CG2-CB 4.03Å; V653-F758 HydrophobicContact CG2-CD2 4.3Å; V683-F758 HydrophobicContact CG1-CB 3.67Å; V683-F758 HydrophobicContact CG1-CD2 4.28Å; V683-F758 HydrophobicContact CG1-CG 4.22Å; S684-F758 WeakPolarHBondContact O-CA 3.47Å; C685-F758 HydrophobicContact CB-CD1 3.95Å; C685-F758 HydrophobicContact CB-CE1 4.05Å; V746-F758 HydrophobicContact CG1-CD2 3.89Å; V746-F758 HydrophobicContact CG1-CE2 4.16Å; L749-F758 HydrophobicContact CD2-CD1 4.09Å; L749-F758 HydrophobicContact CD2-CD2 4.21Å; L749-F758 HydrophobicContact CD2-CE1 4.27Å; L749-F758 HydrophobicContact CD2-CE2 4.39Å; L749-F758 HydrophobicContact CD2-CG 4.08Å; L749-F758 HydrophobicContact CD2-CZ 4.43Å; C750-F758 HydrophobicContact CB-CE1 4Å; C750-F758 HydrophobicContact CB-CZ 4.16Å; C753-F758 HydrophobicContact CB-CE1 3.9Å; S755-F758 WeakPolarHBondContact O-CB 3.32Å; S755-F758 PolarHBondContact O-N 3.37Å |
| 759 | V | 92.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.4 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | N655 R657 V683 S684 N761 | N655-V759 HydrophobicContact CB-CG1 4.49Å; N655-V759 HydrophobicContact CB-CG2 4.11Å; N655-V759 WeakPolarHBondContact O-CA 3.47Å; R657-V759 HydrophobicContact CB-CG1 4.32Å; R657-V759 HydrophobicContact CG-CG1 3.76Å; V683-V759 WeakPolarHBondContact CA-O 3.31Å; S684-V759 PolarHBondContact N-O 3.29Å; S684-V759 PolarHBondContact O-N 3.42Å; S684-V759 PolarHBondContact OG-O 3.22Å; V759-N761 PolarHBondContact O-N 2.98Å |
| 760 | L | 94.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 108 | 170.1 | 173.9 | 63.6 | 0 | 0 | 0 | 109.4 | R645 V653 N655 S656 R657 V683 L743 | R645-L760 HydrophobicContact CG-CD2 4.25Å; V653-L760 HydrophobicContact CG1-CB 4.46Å; N655-L760 PolarHBondContact O-N 3.17Å; S656-L760 CarbonylContact C-O 3.49Å; S656-L760 WeakPolarHBondContact CA-O 3.5Å; R657-L760 PolarHBondContact N-O 3.21Å; V683-L760 HydrophobicContact CG2-CD1 4.19Å; L743-L760 HydrophobicContact CD2-CD1 3.5Å; L743-L760 VanDerWaalsContact CD2-CD1 3.5Å |
| 761 | N | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.8 | 169 | -50.7 | -74.8 | 0 | 0 | 0 | 108.5 | R657 V659 F661 S681 G682 S684 V759 | R657-N761 PolarHBondContact NE-OD1 3.23Å; R657-N761 PolarHBondContact NH2-OD1 3.47Å; R657-N761 WeakPolarHBondContact O-CA 3.35Å; V659-N761 HydrophobicContact CB-CB 4.32Å; V659-N761 HydrophobicContact CG2-CB 3.82Å; F661-N761 HydrophobicContact CE2-CB 4.05Å; F661-N761 HydrophobicContact CZ-CB 3.73Å; S681-N761 CarbonylContact C-O 3.53Å; S681-N761 WeakPolarHBondContact CA-O 3.41Å; S681-N761 VanDerWaalsContact CB-O 3.31Å; S681-N761 WeakPolarHBondContact CB-O 3.48Å; G682-N761 PolarHBondContact N-O 3.05Å; G682-N761 WeakPolarHBondContact O-CA 3.35Å; G682-N761 VanDerWaalsContact O-CB 3.22Å; G682-N761 WeakPolarHBondContact O-CB 3.41Å; G682-N761 PolarHBondContact O-N 3.04Å; G682-N761 PolarHBondContact O-ND2 3.09Å; S684-N761 WeakPolarHBondContact CB-ND2 3.32Å; S684-N761 PolarHBondContact OG-ND2 2.94Å; V759-N761 PolarHBondContact O-N 2.98Å |
| 762 | Y | 95.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 145.7 | 176.5 | 62.3 | -89.9 | 0 | 0 | 0 | 111.5 | R657 K658 V659 L680 Y764 | R657-Y762 VanDerWaalsContact C-CE1 3.45Å; R657-Y762 WeakPolarHBondContact O-CD1 3.22Å; R657-Y762 PolarHBondContact O-N 2.94Å; K658-Y762 CarbonylContact C-O 3.54Å; K658-Y762 VanDerWaalsContact CA-O 3.25Å; K658-Y762 WeakPolarHBondContact CA-O 3.45Å; K658-Y762 HydrophobicContact CB-CD2 4.41Å; K658-Y762 HydrophobicContact CB-CE2 3.83Å; K658-Y762 HydrophobicContact CD-CE2 4.28Å; K658-Y762 HydrophobicContact CG-CD2 4.26Å; K658-Y762 HydrophobicContact CG-CE2 3.91Å; V659-Y762 PolarHBondContact N-O 3.15Å; L680-Y762 CarbonylContact O-C 3.6Å; L680-Y762 WeakPolarHBondContact O-CA 3.37Å; Y762-Y764 WeakPolarHBondContact CD2-O 3.47Å |
| 763 | H | 95.9 | Very high | 92 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -81.6 | -59.5 | 176.6 | -166.3 | 113.3 | 0 | 0 | 0 | 111.5 | K658 V659 F661 D662 F679 L680 | K658-H763 WeakPolarHBondContact CE-O 3.25Å; K658-H763 WeakPolarHBondContact CG-O 3.33Å; V659-H763 WeakPolarHBondContact O-CA 3.44Å; F661-H763 HydrophobicContact CD2-CB 4.03Å; F661-H763 PolarHBondContact N-ND1 3.05Å; D662-H763 IonicContact OD1-CE1 3.73Å; D662-H763 PolarHBondContact OD1-CE1 3.01Å; D662-H763 VanDerWaalsContact OD1-CE1 3.24Å; F679-H763 AromaticContact CE2-CE1 3.74Å; F679-H763 AromaticContact CE2-ND1 3.6Å; F679-H763 AromaticContact CZ-CE1 3.97Å; F679-H763 AromaticContact CZ-ND1 3.92Å; F679-H763 VanDerWaalsContact O-CB 3.25Å; F679-H763 WeakPolarHBondContact O-CB 3.32Å; L680-H763 PolarHBondContact O-N 3.41Å |
| 764 | Y | 94.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 11% | 0.106 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -105 | 144.3 | 174.7 | -62.1 | -80.3 | 0 | 0 | 0 | 110.7 | C570 E574 R645 F679 Y762 E768 L769 | C570-Y764 HydrophobicContact CB-CE2 3.99Å; E574-Y764 VanDerWaalsContact CD-OH 3.3Å; E574-Y764 PolarHBondContact OE1-OH 3.5Å; R645-Y764 PolarHBondContact NH1-O 3.39Å; R645-Y764 PolarHBondContact NH2-O 2.96Å; F679-Y764 HydrophobicContact CE1-CD2 4.45Å; F679-Y764 AromaticContact CE1-CE2 3.9Å; F679-Y764 HydrophobicContact CE1-CE2 3.9Å; F679-Y764 AromaticContact CZ-CE2 3.9Å; F679-Y764 HydrophobicContact CZ-CE2 3.9Å; Y762-Y764 WeakPolarHBondContact CD2-O 3.47Å; Y764-E768 WeakPolarHBondContact CA-OE2 3.07Å; Y764-E768 HydrophobicContact CD1-CB 4.33Å; Y764-L769 HydrophobicContact CD2-CD2 3.88Å; Y764-L769 HydrophobicContact CG-CD2 3.9Å; Y764-L769 HydrophobicContact CG-CG 4.43Å |
| 765 | S | 95 | Very high | 92.9 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | trans | -67.1 | 160.2 | 165 | 95.6 | 0 | 0 | 0 | 0 | 110 | E767 E768 L769 | S765-E767 VanDerWaalsContact CB-OE2 3.23Å; S765-E767 WeakPolarHBondContact CB-OE2 3.39Å; S765-E767 PolarHBondContact O-N 3.47Å; S765-E767 PolarHBondContact OG-N 3.33Å; S765-E767 PolarHBondContact OG-OE2 2.89Å; S765-E768 PolarHBondContact N-OE2 2.82Å; S765-E768 PolarHBondContact O-N 2.64Å; S765-E768 PolarHBondContact OG-N 3.18Å; S765-E768 VanDerWaalsContact OG-N 3.13Å; S765-L769 PolarHBondContact O-N 2.86Å; S765-L769 VanDerWaalsContact O-N 3.14Å | ||
| 766 | I | 94.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 40 Ų | 40 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -32.4 | 178.3 | -67 | -62 | 0 | 0 | 0 | 110.5 | E641 R642 L769 C770 | E641-I766 HydrophobicContact CG-CD1 4.25Å; R642-I766 HydrophobicContact CB-CD1 4.46Å; R642-I766 VanDerWaalsContact CZ-CG2 3.5Å; R642-I766 VanDerWaalsContact NH1-CG2 3.35Å; I766-L769 HydrophobicContact CD1-CD1 4.49Å; I766-L769 PolarHBondContact O-N 2.91Å; I766-C770 WeakPolarHBondContact O-CB 3.47Å; I766-C770 PolarHBondContact O-N 2.91Å; I766-C770 PolarHBondContact O-SG 2.64Å |
| 767 | E | 93.7 | Very high | 93.5 | Very high | 138 Ų | 138 | 38 Ų | 38 | 65% | 0.645 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -65.9 | -41 | 174.7 | -55.5 | 74.9 | -161 | 0 | 0 | 111.8 | S765 C770 S771 | S765-E767 VanDerWaalsContact CB-OE2 3.23Å; S765-E767 WeakPolarHBondContact CB-OE2 3.39Å; S765-E767 PolarHBondContact O-N 3.47Å; S765-E767 PolarHBondContact OG-N 3.33Å; S765-E767 PolarHBondContact OG-OE2 2.89Å; E767-C770 PolarHBondContact O-N 3.47Å; E767-S771 PolarHBondContact O-N 2.99Å |
| 768 | E | 94 | Very high | 93.7 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 34% | 0.341 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 175.4 | -71.1 | 173.8 | 142.9 | 0 | 0 | 111.1 | K658 Y764 S765 S771 L772 | K658-E768 IonicContact NZ-OE1 3.21Å; K658-E768 PolarHBondContact NZ-OE1 3.36Å; K658-E768 IonicContact NZ-OE2 3.31Å; K658-E768 PolarHBondContact NZ-OE2 3.02Å; Y764-E768 WeakPolarHBondContact CA-OE2 3.07Å; Y764-E768 HydrophobicContact CD1-CB 4.33Å; S765-E768 PolarHBondContact N-OE2 2.82Å; S765-E768 PolarHBondContact O-N 2.64Å; S765-E768 PolarHBondContact OG-N 3.18Å; S765-E768 VanDerWaalsContact OG-N 3.13Å; E768-S771 PolarHBondContact O-N 3.36Å; E768-L772 PolarHBondContact O-N 2.89Å; E768-L772 VanDerWaalsContact O-N 3.08Å |
| 769 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.1 | -64.1 | 173.5 | 0 | 0 | 0 | 112.1 | F634 M637 L638 E641 L680 Y764 S765 I766 S771 L772 E773 | F634-L769 HydrophobicContact CE1-CB 4.43Å; F634-L769 HydrophobicContact CE1-CD2 4.47Å; F634-L769 WeakPolarHBondContact CE1-O 3.21Å; F634-L769 HydrophobicContact CE2-CD2 4.46Å; F634-L769 HydrophobicContact CZ-CB 4.43Å; F634-L769 HydrophobicContact CZ-CD2 3.73Å; M637-L769 HydrophobicContact CE-CD2 4.46Å; L638-L769 HydrophobicContact CD1-CB 3.57Å; L638-L769 HydrophobicContact CD1-CD1 4.03Å; L638-L769 HydrophobicContact CD1-CG 4.46Å; L638-L769 HydrophobicContact CD2-CB 4.44Å; E641-L769 HydrophobicContact CG-CD1 4.41Å; L680-L769 HydrophobicContact CD2-CD2 4.49Å; Y764-L769 HydrophobicContact CD2-CD2 3.88Å; Y764-L769 HydrophobicContact CG-CD2 3.9Å; Y764-L769 HydrophobicContact CG-CG 4.43Å; S765-L769 PolarHBondContact O-N 2.86Å; S765-L769 VanDerWaalsContact O-N 3.14Å; I766-L769 HydrophobicContact CD1-CD1 4.49Å; I766-L769 PolarHBondContact O-N 2.91Å; L769-S771 VanDerWaalsContact C-N 3.32Å; L769-S771 PolarHBondContact O-N 2.76Å; L769-L772 PolarHBondContact O-N 2.76Å; L769-E773 PolarHBondContact O-N 2.91Å |
| 770 | C | 95.8 | Very high | 93.3 | Very high | 42 Ų | 42 | 41.6 Ų | 41.6 | 28% | 0.284 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.3 | -85.1 | 0 | 0 | 0 | 0 | 112.6 | R642 I766 E767 L772 E773 Q774 | R642-C770 PolarHBondContact NH2-SG 2.85Å; I766-C770 WeakPolarHBondContact O-CB 3.47Å; I766-C770 PolarHBondContact O-N 2.91Å; I766-C770 PolarHBondContact O-SG 2.64Å; E767-C770 PolarHBondContact O-N 3.47Å; C770-L772 VanDerWaalsContact C-N 3.35Å; C770-E773 PolarHBondContact O-N 2.82Å; C770-Q774 WeakPolarHBondContact O-CB 3.23Å; C770-Q774 PolarHBondContact O-N 3.24Å |
| 771 | S | 94.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 51% | 0.51 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.3 | -169.6 | 0 | 0 | 0 | 0 | 111.2 | E767 E768 L769 Q774 C775 | E767-S771 PolarHBondContact O-N 2.99Å; E768-S771 PolarHBondContact O-N 3.36Å; L769-S771 VanDerWaalsContact C-N 3.32Å; L769-S771 PolarHBondContact O-N 2.76Å; S771-Q774 PolarHBondContact O-N 3.28Å; S771-C775 PolarHBondContact O-N 3.49Å; S771-C775 PolarHBondContact O-SG 3.43Å |
| 772 | L | 92.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.8 | -75 | 170.6 | 0 | 0 | 0 | 112 | E574 V577 N579 F634 E768 L769 C770 Q774 C775 L776 | E574-L772 HydrophobicContact CG-CD1 4.44Å; E574-L772 HydrophobicContact CG-CD2 4.26Å; V577-L772 HydrophobicContact CG2-CD2 4.43Å; N579-L772 WeakPolarHBondContact ND2-CD2 3.21Å; F634-L772 HydrophobicContact CE1-CB 4.17Å; F634-L772 HydrophobicContact CZ-CB 3.85Å; F634-L772 HydrophobicContact CZ-CD1 4.15Å; E768-L772 PolarHBondContact O-N 2.89Å; E768-L772 VanDerWaalsContact O-N 3.08Å; L769-L772 PolarHBondContact O-N 2.76Å; C770-L772 VanDerWaalsContact C-N 3.35Å; L772-Q774 PolarHBondContact O-N 3.28Å; L772-C775 PolarHBondContact O-N 2.88Å; L772-L776 WeakPolarHBondContact O-CG 3.33Å; L772-L776 PolarHBondContact O-N 2.9Å |
| 773 | E | 94.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.5 | -170.2 | -85.8 | 149 | 0 | 0 | 111.8 | H631 F634 L638 L769 C770 L776 A777 | H631-E773 IonicContact CD2-OE1 3.53Å; H631-E773 IonicContact CE1-OE1 3.14Å; H631-E773 IonicContact NE2-OE1 3.15Å; H631-E773 PolarHBondContact NE2-OE1 2.89Å; F634-E773 HydrophobicContact CD1-CB 3.89Å; F634-E773 HydrophobicContact CD1-CG 4.25Å; F634-E773 HydrophobicContact CE1-CB 3.94Å; L638-E773 HydrophobicContact CD2-CB 3.88Å; L638-E773 HydrophobicContact CD2-CG 4.23Å; L769-E773 PolarHBondContact O-N 2.91Å; C770-E773 PolarHBondContact O-N 2.82Å; E773-L776 WeakPolarHBondContact O-CB 3.41Å; E773-L776 PolarHBondContact O-N 3.37Å; E773-A777 WeakPolarHBondContact O-CB 3.27Å; E773-A777 PolarHBondContact O-N 3.27Å |
| 774 | Q | 93.6 | Very high | 91.9 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.4 | -173.9 | 62.9 | 56 | 0 | 0 | 111.6 | C770 S771 L772 L776 A777 D778 | C770-Q774 WeakPolarHBondContact O-CB 3.23Å; C770-Q774 PolarHBondContact O-N 3.24Å; S771-Q774 PolarHBondContact O-N 3.28Å; L772-Q774 PolarHBondContact O-N 3.28Å; Q774-L776 VanDerWaalsContact C-N 3.33Å; Q774-L776 PolarHBondContact O-N 2.77Å; Q774-A777 WeakPolarHBondContact O-CB 3.28Å; Q774-A777 PolarHBondContact O-N 3.15Å; Q774-D778 PolarHBondContact NE2-OD1 3.36Å; Q774-D778 WeakPolarHBondContact O-CB 3.28Å; Q774-D778 PolarHBondContact O-N 3.14Å |
| 775 | C | 92.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 176.6 | -68 | 0 | 0 | 0 | 0 | 112.6 | V577 S771 L772 R779 | V577-C775 HydrophobicContact CB-CB 4.21Å; V577-C775 HydrophobicContact CG1-CB 3.51Å; V577-C775 HydrophobicContact CG2-CB 3.55Å; S771-C775 PolarHBondContact O-N 3.49Å; S771-C775 PolarHBondContact O-SG 3.43Å; L772-C775 PolarHBondContact O-N 2.88Å; C775-R779 WeakPolarHBondContact O-CB 3.41Å; C775-R779 PolarHBondContact O-N 2.78Å |
| 776 | L | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 172 | -70 | 173.1 | 0 | 0 | 0 | 111.3 | A573 A576 V577 V627 V630 H631 F634 L772 E773 Q774 R779 L780 | A573-L776 HydrophobicContact CB-CD1 3.93Å; A576-L776 HydrophobicContact CB-CD2 3.51Å; V577-L776 HydrophobicContact CG2-CD2 3.87Å; V577-L776 HydrophobicContact CG2-CG 3.91Å; V627-L776 HydrophobicContact CG1-CD2 4.27Å; V630-L776 HydrophobicContact CG1-CD1 4.28Å; H631-L776 HydrophobicContact CB-CB 4.15Å; F634-L776 HydrophobicContact CB-CD1 4.23Å; F634-L776 HydrophobicContact CD1-CD1 4.44Å; F634-L776 HydrophobicContact CG-CD1 4.18Å; L772-L776 WeakPolarHBondContact O-CG 3.33Å; L772-L776 PolarHBondContact O-N 2.9Å; E773-L776 WeakPolarHBondContact O-CB 3.41Å; E773-L776 PolarHBondContact O-N 3.37Å; Q774-L776 VanDerWaalsContact C-N 3.33Å; Q774-L776 PolarHBondContact O-N 2.77Å; L776-R779 PolarHBondContact O-N 2.7Å; L776-L780 WeakPolarHBondContact O-CG 3.19Å; L776-L780 PolarHBondContact O-N 2.99Å |
| 777 | A | 92 | Very high | 90.9 | Very high | 24 Ų | 24 | 53 Ų | 53 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E773 Q774 L780 A781 | E773-A777 WeakPolarHBondContact O-CB 3.27Å; E773-A777 PolarHBondContact O-N 3.27Å; Q774-A777 WeakPolarHBondContact O-CB 3.28Å; Q774-A777 PolarHBondContact O-N 3.15Å; A777-L780 PolarHBondContact O-N 3.3Å; A777-A781 VanDerWaalsContact O-CB 3.3Å; A777-A781 WeakPolarHBondContact O-CB 3.49Å; A777-A781 PolarHBondContact O-N 2.95Å |
| 778 | D | 90.4 | Very high | 90.4 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.9 | -67.5 | -18.8 | 0 | 0 | 0 | 111.1 | Q774 L780 A781 H782 | Q774-D778 PolarHBondContact NE2-OD1 3.36Å; Q774-D778 WeakPolarHBondContact O-CB 3.28Å; Q774-D778 PolarHBondContact O-N 3.14Å; D778-L780 VanDerWaalsContact C-N 3.33Å; D778-L780 PolarHBondContact O-N 2.87Å; D778-A781 PolarHBondContact O-N 3.18Å; D778-H782 WeakPolarHBondContact O-CB 3.42Å; D778-H782 PolarHBondContact O-N 3.2Å |
| 779 | R | 86.5 | Confident | 89.8 | Confident | 70 Ų | 70 | 51.8 Ų | 51.8 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 175.9 | -175.6 | 172.2 | 178.3 | 155.9 | 4 | 112 | A576 C775 L776 F783 A847 Y849 | A576-R779 WeakPolarHBondContact O-CD 3.25Å; A576-R779 PolarHBondContact O-NH1 2.64Å; C775-R779 WeakPolarHBondContact O-CB 3.41Å; C775-R779 PolarHBondContact O-N 2.78Å; L776-R779 PolarHBondContact O-N 2.7Å; R779-F783 PolarHBondContact O-N 3.27Å; R779-F783 VanDerWaalsContact O-N 3.11Å; R779-A847 PolarHBondContact NH2-O 2.96Å; R779-Y849 PolarHBondContact O-OH 2.87Å |
| 780 | L | 88.5 | Confident | 89.3 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.8 | -38.4 | 175.6 | -73 | 168.7 | 0 | 0 | 0 | 112.5 | I624 V627 A628 H631 L776 A777 D778 H782 F783 Y784 | I624-L780 HydrophobicContact CD1-CD2 3.86Å; I624-L780 HydrophobicContact CG1-CD2 4.48Å; V627-L780 HydrophobicContact CG1-CD2 4.18Å; V627-L780 HydrophobicContact CG1-CG 4.24Å; A628-L780 HydrophobicContact CB-CD2 3.83Å; H631-L780 HydrophobicContact CB-CD1 3.34Å; H631-L780 VanDerWaalsContact CG-CD1 3.48Å; H631-L780 WeakPolarHBondContact ND1-CD1 3.42Å; L776-L780 WeakPolarHBondContact O-CG 3.19Å; L776-L780 PolarHBondContact O-N 2.99Å; A777-L780 PolarHBondContact O-N 3.3Å; D778-L780 VanDerWaalsContact C-N 3.33Å; D778-L780 PolarHBondContact O-N 2.87Å; L780-H782 VanDerWaalsContact C-N 3.3Å; L780-H782 PolarHBondContact O-N 2.78Å; L780-F783 WeakPolarHBondContact O-CB 3.4Å; L780-F783 PolarHBondContact O-N 3.38Å; L780-Y784 HydrophobicContact CB-CD2 4.41Å; L780-Y784 HydrophobicContact CB-CE2 4.31Å; L780-Y784 WeakPolarHBondContact O-CD2 2.9Å; L780-Y784 PolarHBondContact O-N 3.34Å |
| 781 | A | 89.7 | Confident | 88.4 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A777 D778 Y784 A785 | A777-A781 VanDerWaalsContact O-CB 3.3Å; A777-A781 WeakPolarHBondContact O-CB 3.49Å; A777-A781 PolarHBondContact O-N 2.95Å; D778-A781 PolarHBondContact O-N 3.18Å; A781-Y784 PolarHBondContact O-N 3.22Å; A781-A785 WeakPolarHBondContact O-CB 3.12Å; A781-A785 PolarHBondContact O-N 3.11Å |
| 782 | H | 87.4 | Confident | 87.4 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 38% | 0.384 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 172.8 | -173.8 | 68.9 | 0 | 0 | 0 | 111.5 | D778 L780 A785 W786 E843 Y849 | D778-H782 WeakPolarHBondContact O-CB 3.42Å; D778-H782 PolarHBondContact O-N 3.2Å; L780-H782 VanDerWaalsContact C-N 3.3Å; L780-H782 PolarHBondContact O-N 2.78Å; H782-A785 PolarHBondContact O-N 3.47Å; H782-W786 VanDerWaalsContact O-CB 3.27Å; H782-W786 WeakPolarHBondContact O-CB 3.34Å; H782-W786 PolarHBondContact O-N 2.87Å; H782-E843 IonicContact CE1-OE1 2.74Å; H782-E843 PolarHBondContact CE1-OE1 2.95Å; H782-E843 IonicContact NE2-OE1 3.31Å; H782-E843 PolarHBondContact NE2-OE1 3.29Å; H782-Y849 AromaticContact CD2-CE2 3.9Å; H782-Y849 PolarHBondContact CD2-OH 3.49Å; H782-Y849 VanDerWaalsContact CD2-OH 3.25Å |
| 783 | F | 86.6 | Confident | 86.3 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -50 | 175.4 | 170.4 | -114.1 | 0 | 0 | 0 | 113.2 | I624 R779 L780 A785 W786 R787 Y849 D852 | I624-F783 HydrophobicContact CB-CD2 4.37Å; I624-F783 HydrophobicContact CB-CE2 4.34Å; I624-F783 HydrophobicContact CB-CZ 4.48Å; I624-F783 HydrophobicContact CD1-CB 3.87Å; I624-F783 HydrophobicContact CD1-CD1 4.3Å; I624-F783 HydrophobicContact CD1-CD2 4.47Å; I624-F783 HydrophobicContact CD1-CG 3.97Å; I624-F783 HydrophobicContact CG1-CB 3.81Å; I624-F783 HydrophobicContact CG1-CD1 3.5Å; I624-F783 HydrophobicContact CG1-CD2 3.57Å; I624-F783 HydrophobicContact CG1-CE1 3.86Å; I624-F783 HydrophobicContact CG1-CE2 3.91Å; I624-F783 HydrophobicContact CG1-CG 3.33Å; I624-F783 HydrophobicContact CG1-CZ 4.04Å; I624-F783 HydrophobicContact CG2-CD2 4.21Å; I624-F783 HydrophobicContact CG2-CE1 4.13Å; I624-F783 HydrophobicContact CG2-CE2 3.69Å; I624-F783 HydrophobicContact CG2-CZ 3.63Å; R779-F783 PolarHBondContact O-N 3.27Å; R779-F783 VanDerWaalsContact O-N 3.11Å; L780-F783 WeakPolarHBondContact O-CB 3.4Å; L780-F783 PolarHBondContact O-N 3.38Å; F783-A785 VanDerWaalsContact C-N 3.35Å; F783-A785 PolarHBondContact O-N 3.2Å; F783-W786 HydrophobicContact CD2-CE3 4.12Å; F783-W786 HydrophobicContact CD2-CZ3 4.5Å; F783-W786 HydrophobicContact CE2-CE3 4.2Å; F783-W786 HydrophobicContact CE2-CZ3 4.15Å; F783-W786 PolarHBondContact O-N 2.88Å; F783-R787 HydrophobicContact CE2-CB 4.5Å; F783-R787 VanDerWaalsContact O-CB 3.28Å; F783-R787 WeakPolarHBondContact O-CB 3.32Å; F783-R787 PolarHBondContact O-N 3.41Å; F783-Y849 HydrophobicContact CB-CD1 4.45Å; F783-Y849 HydrophobicContact CB-CE1 3.83Å; F783-Y849 HydrophobicContact CB-CE2 4.11Å; F783-Y849 AromaticContact CD2-CD1 3.62Å; F783-Y849 HydrophobicContact CD2-CD1 3.62Å; F783-Y849 AromaticContact CD2-CD2 3.86Å; F783-Y849 HydrophobicContact CD2-CD2 3.86Å; F783-Y849 AromaticContact CD2-CE1 3.87Å; F783-Y849 HydrophobicContact CD2-CE1 3.87Å; F783-Y849 HydrophobicContact CD2-CE2 4.1Å; F783-Y849 AromaticContact CD2-CG 3.61Å; F783-Y849 HydrophobicContact CD2-CG 3.61Å; F783-Y849 HydrophobicContact CE2-CD1 4.28Å; F783-Y849 HydrophobicContact CE2-CG 4.15Å; F783-Y849 HydrophobicContact CG-CD1 4.38Å; F783-Y849 HydrophobicContact CG-CE1 4.22Å; F783-Y849 PolarHBondContact N-OH 3.09Å; F783-D852 HydrophobicContact CE2-CB 4.24Å; F783-D852 HydrophobicContact CZ-CB 4.29Å |
| 784 | Y | 88.5 | Confident | 85 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 42% | 0.42 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | -179.3 | -72.6 | -62 | 0 | 0 | 0 | 111.9 | L780 A781 R787 N788 | L780-Y784 HydrophobicContact CB-CD2 4.41Å; L780-Y784 HydrophobicContact CB-CE2 4.31Å; L780-Y784 WeakPolarHBondContact O-CD2 2.9Å; L780-Y784 PolarHBondContact O-N 3.34Å; A781-Y784 PolarHBondContact O-N 3.22Å; Y784-R787 PolarHBondContact O-N 3.37Å; Y784-N788 WeakPolarHBondContact O-CB 3.44Å; Y784-N788 PolarHBondContact O-N 3.17Å; Y784-N788 PolarHBondContact O-ND2 3.02Å |
| 785 | A | 87.4 | Confident | 83.7 | Confident | 48 Ų | 48 | 55 Ų | 55 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A781 H782 F783 Q789 | A781-A785 WeakPolarHBondContact O-CB 3.12Å; A781-A785 PolarHBondContact O-N 3.11Å; H782-A785 PolarHBondContact O-N 3.47Å; F783-A785 VanDerWaalsContact C-N 3.35Å; F783-A785 PolarHBondContact O-N 3.2Å; A785-Q789 WeakPolarHBondContact O-CG 3.36Å; A785-Q789 PolarHBondContact O-N 3.34Å |
| 786 | W | 88.6 | Confident | 81.7 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 174.7 | 174.6 | 90.7 | 0 | 0 | 0 | 112 | H782 F783 Q789 L790 K840 Y849 Y855 | H782-W786 VanDerWaalsContact O-CB 3.27Å; H782-W786 WeakPolarHBondContact O-CB 3.34Å; H782-W786 PolarHBondContact O-N 2.87Å; F783-W786 HydrophobicContact CD2-CE3 4.12Å; F783-W786 HydrophobicContact CD2-CZ3 4.5Å; F783-W786 HydrophobicContact CE2-CE3 4.2Å; F783-W786 HydrophobicContact CE2-CZ3 4.15Å; F783-W786 PolarHBondContact O-N 2.88Å; W786-Q789 PolarHBondContact O-N 3.32Å; W786-L790 HydrophobicContact CD2-CD1 4.1Å; W786-L790 HydrophobicContact CE3-CD1 4.32Å; W786-L790 HydrophobicContact CH2-CD1 3.42Å; W786-L790 VanDerWaalsContact CH2-CD1 3.42Å; W786-L790 HydrophobicContact CZ2-CD1 3.18Å; W786-L790 HydrophobicContact CZ2-CG 4.49Å; W786-L790 HydrophobicContact CZ3-CD1 4.01Å; W786-L790 PolarHBondContact O-N 2.99Å; W786-K840 PolarHBondContact NE1-O 2.71Å; W786-Y849 HydrophobicContact CB-CE2 4.43Å; W786-Y849 AromaticContact CD2-CD2 3.81Å; W786-Y849 HydrophobicContact CD2-CD2 3.81Å; W786-Y849 HydrophobicContact CD2-CE2 4.49Å; W786-Y849 AromaticContact CE3-CD2 3.82Å; W786-Y849 HydrophobicContact CE3-CD2 3.82Å; W786-Y849 HydrophobicContact CE3-CG 4.37Å; W786-Y849 HydrophobicContact CG-CD2 4.15Å; W786-Y849 HydrophobicContact CG-CE2 4.4Å; W786-Y849 HydrophobicContact CZ3-CD2 4.35Å; W786-Y855 AromaticContact CH2-CD2 3.81Å; W786-Y855 HydrophobicContact CH2-CD2 3.81Å; W786-Y855 HydrophobicContact CH2-CG 4.35Å; W786-Y855 AromaticContact CZ2-CD2 3.85Å; W786-Y855 HydrophobicContact CZ2-CD2 3.85Å |
| 787 | R | 85.8 | Confident | 79.2 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | -180 | -173.9 | -176.8 | 179.8 | -170.2 | 2.1 | 112 | F783 Y784 Q789 L790 S791 D852 T854 | F783-R787 HydrophobicContact CE2-CB 4.5Å; F783-R787 VanDerWaalsContact O-CB 3.28Å; F783-R787 WeakPolarHBondContact O-CB 3.32Å; F783-R787 PolarHBondContact O-N 3.41Å; Y784-R787 PolarHBondContact O-N 3.37Å; R787-Q789 VanDerWaalsContact C-N 3.31Å; R787-Q789 PolarHBondContact O-N 3.45Å; R787-L790 PolarHBondContact O-N 2.94Å; R787-S791 WeakPolarHBondContact O-CB 3.2Å; R787-S791 PolarHBondContact O-N 2.77Å; R787-D852 IonicContact NE-OD1 3.8Å; R787-T854 HydrophobicContact CG-CG2 4.07Å; R787-T854 PolarHBondContact NE-OG1 2.98Å; R787-T854 VanDerWaalsContact NE-OG1 3.13Å |
| 788 | N | 84.5 | Confident | 76.6 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 179.8 | -75.5 | -21.1 | 0 | 0 | 0 | 110.9 | Y784 L790 S791 V792 | Y784-N788 WeakPolarHBondContact O-CB 3.44Å; Y784-N788 PolarHBondContact O-N 3.17Å; Y784-N788 PolarHBondContact O-ND2 3.02Å; N788-L790 VanDerWaalsContact C-N 3.34Å; N788-L790 PolarHBondContact O-N 3.41Å; N788-S791 WeakPolarHBondContact CA-OG 3.37Å; N788-S791 PolarHBondContact O-N 2.74Å; N788-S791 PolarHBondContact O-OG 3.11Å; N788-V792 WeakPolarHBondContact O-CG2 3.46Å; N788-V792 PolarHBondContact O-N 3.04Å |
| 789 | Q | 81.9 | Confident | 73.6 | Confident | 88 Ų | 88 | 68.5 Ų | 68.5 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 174.8 | -70.2 | 171.2 | 10.5 | 0 | 0 | 112.1 | A785 W786 R787 | A785-Q789 WeakPolarHBondContact O-CG 3.36Å; A785-Q789 PolarHBondContact O-N 3.34Å; W786-Q789 PolarHBondContact O-N 3.32Å; R787-Q789 VanDerWaalsContact C-N 3.31Å; R787-Q789 PolarHBondContact O-N 3.45Å |
| 790 | L | 83.1 | Confident | 70.8 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -75.2 | -32.7 | 177.7 | -67.5 | -178.9 | 0 | 0 | 0 | 113.7 | W786 R787 N788 V792 I793 I794 M832 L837 K840 T854 A858 | W786-L790 HydrophobicContact CD2-CD1 4.1Å; W786-L790 HydrophobicContact CE3-CD1 4.32Å; W786-L790 HydrophobicContact CH2-CD1 3.42Å; W786-L790 VanDerWaalsContact CH2-CD1 3.42Å; W786-L790 HydrophobicContact CZ2-CD1 3.18Å; W786-L790 HydrophobicContact CZ2-CG 4.49Å; W786-L790 HydrophobicContact CZ3-CD1 4.01Å; W786-L790 PolarHBondContact O-N 2.99Å; R787-L790 PolarHBondContact O-N 2.94Å; N788-L790 VanDerWaalsContact C-N 3.34Å; N788-L790 PolarHBondContact O-N 3.41Å; L790-V792 VanDerWaalsContact C-N 3.26Å; L790-V792 PolarHBondContact O-N 2.84Å; L790-I793 HydrophobicContact CD2-CD1 4.31Å; L790-I793 WeakPolarHBondContact O-CB 3.23Å; L790-I793 PolarHBondContact O-N 3.17Å; L790-I794 PolarHBondContact O-N 2.93Å; L790-I794 VanDerWaalsContact O-N 3.15Å; L790-M832 HydrophobicContact CD2-SD 4.42Å; L790-L837 HydrophobicContact CD2-CD1 3.4Å; L790-L837 VanDerWaalsContact CD2-CD1 3.4Å; L790-K840 HydrophobicContact CD2-CB 4.17Å; L790-T854 HydrophobicContact CB-CG2 3.89Å; L790-A858 HydrophobicContact CD1-CB 4.13Å; L790-A858 HydrophobicContact CD2-CB 4.26Å |
| 791 | S | 78.4 | Confident | 67.9 | Low | 47 Ų | 47 | 78.3 Ų | 78.3 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | -178.3 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | R787 N788 I793 I794 K795 | R787-S791 WeakPolarHBondContact O-CB 3.2Å; R787-S791 PolarHBondContact O-N 2.77Å; N788-S791 WeakPolarHBondContact CA-OG 3.37Å; N788-S791 PolarHBondContact O-N 2.74Å; N788-S791 PolarHBondContact O-OG 3.11Å; S791-I793 PolarHBondContact O-N 2.84Å; S791-I794 PolarHBondContact O-N 3.33Å; S791-K795 PolarHBondContact O-N 2.79Å; S791-K795 VanDerWaalsContact O-N 3.12Å |
| 792 | V | 71.9 | Confident | 64.9 | Low | 82 Ų | 82 | 85.2 Ų | 85.2 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59 | -36.3 | 174 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | N788 L790 P966 | N788-V792 WeakPolarHBondContact O-CG2 3.46Å; N788-V792 PolarHBondContact O-N 3.04Å; L790-V792 VanDerWaalsContact C-N 3.26Å; L790-V792 PolarHBondContact O-N 2.84Å; V792-P966 WeakPolarHBondContact O-CG 3.4Å |
| 793 | I | 68.9 | Low | 62 | Low | 11 Ų | 11 | 86.1 Ų | 86.1 | 6% | 0.056 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -76.6 | -41.3 | -178.1 | -57.5 | 168.5 | 0 | 0 | 0 | 112.1 | L790 S791 M832 L837 P966 | L790-I793 HydrophobicContact CD2-CD1 4.31Å; L790-I793 WeakPolarHBondContact O-CB 3.23Å; L790-I793 PolarHBondContact O-N 3.17Å; S791-I793 PolarHBondContact O-N 2.84Å; I793-M832 HydrophobicContact CD1-CB 3.52Å; I793-M832 HydrophobicContact CD1-CE 3.52Å; I793-M832 HydrophobicContact CD1-CG 3.91Å; I793-M832 HydrophobicContact CD1-SD 3.21Å; I793-M832 WeakPolarHBondContact CD1-SD 3.45Å; I793-M832 HydrophobicContact CG1-CB 4.27Å; I793-L837 HydrophobicContact CD1-CD1 4.39Å; I793-P966 HydrophobicContact CG1-CB 4.48Å; I793-P966 WeakPolarHBondContact O-CD 3.3Å |
| 794 | I | 69.2 | Low | 59 | Low | 37 Ų | 37 | 93 Ų | 93 | 19% | 0.19 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -74.3 | -32.8 | -175.5 | -64.6 | 154.5 | 0 | 0 | 0 | 111.5 | L790 S791 T854 D857 A858 I861 | L790-I794 PolarHBondContact O-N 2.93Å; L790-I794 VanDerWaalsContact O-N 3.15Å; S791-I794 PolarHBondContact O-N 3.33Å; I794-T854 HydrophobicContact CD1-CG2 3.33Å; I794-T854 VanDerWaalsContact CD1-O 3.31Å; I794-T854 WeakPolarHBondContact CD1-O 3.41Å; I794-D857 HydrophobicContact CD1-CB 3.71Å; I794-D857 HydrophobicContact CG1-CB 3.96Å; I794-D857 HydrophobicContact CG2-CB 3.89Å; I794-A858 HydrophobicContact CD1-CB 4.21Å; I794-I861 HydrophobicContact CB-CD1 4.31Å; I794-I861 HydrophobicContact CG1-CD1 3.74Å |
| 795 | K | 64.5 | Low | 56.2 | Low | 158 Ų | 158 | 95.2 Ų | 95.2 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | trans | -127.5 | 83.2 | -178.4 | -64.5 | -175.8 | -176.9 | 176 | 0 | 110.7 | S791 S797 | S791-K795 PolarHBondContact O-N 2.79Å; S791-K795 VanDerWaalsContact O-N 3.12Å; K795-S797 PolarHBondContact O-N 3.44Å | ||
| 796 | P | 51.7 | Low | 53.2 | Low | 84 Ų | 84 | 101 Ų | 101 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | trans | -70.7 | 80.1 | 165.6 | 29 | -31.5 | 0 | 0 | 0 | 108.5 | P966 | P796-P966 HydrophobicContact CB-CG 4.15Š| ||
| 797 | S | 38.7 | Very low | 50.3 | Low | 102 Ų | 102 | 110.8 Ų | 110.8 | 71% | 0.713 | 59% | 0.591 | S | S | * | * | trans | -77 | 126.9 | 178.4 | 39.4 | 0 | 0 | 0 | 0 | 110.9 | K795 S799 | K795-S797 PolarHBondContact O-N 3.44Å; S797-S799 PolarHBondContact O-N 3.19Å | ||
| 798 | D | 36.9 | Very low | 47.6 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | trans | -36.5 | 116.2 | 169.3 | -69.7 | -52.4 | 0 | 0 | 0 | 112.1 | N800 | D798-N800 VanDerWaalsContact C-N 3.31Å; D798-N800 PolarHBondContact O-N 3.43Å | ||
| 799 | S | 27.8 | Very low | 44.8 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -60.9 | 92.9 | 165.6 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | S797 | S797-S799 PolarHBondContact O-N 3.19Š|
| 800 | N | 27.7 | Very low | 42.1 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 158.6 | 63.3 | 149.1 | -80.1 | -26.1 | 0 | 0 | 0 | 112.7 | D798 | D798-N800 VanDerWaalsContact C-N 3.31Å; D798-N800 PolarHBondContact O-N 3.43Å |
| 801 | T | 28 | Very low | 39.4 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 82% | 0.816 | 70% | 0.701 | S | S | * | * | trans | -165.2 | 60 | 154.6 | 1.6 | 0 | 0 | 0 | 0 | 112.8 | S803 | T801-S803 PolarHBondContact O-N 2.77Å; T801-S803 VanDerWaalsContact O-N 3.11Å | ||
| 802 | F | 26.6 | Very low | 37.1 | Very low | 203 Ų | 203 | 137 Ų | 137 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | trans | -79.2 | 85.7 | 164.1 | -97.8 | -86.2 | 0 | 0 | 0 | 110 | ||||
| 803 | S | 25 | Very low | 34.9 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -157.6 | 117.7 | 161.6 | -73 | 0 | 0 | 0 | 0 | 108.3 | T801 | T801-S803 PolarHBondContact O-N 2.77Å; T801-S803 VanDerWaalsContact O-N 3.11Å | ||
| 804 | N | 25 | Very low | 33 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 95 | 69.4 | 174.4 | -56 | -24.6 | 0 | 0 | 0 | 118.3 | Q806 | N804-Q806 PolarHBondContact O-N 3.39Š| ||
| 805 | N | 28.3 | Very low | 31 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -83.3 | 92.8 | 147.6 | -85.4 | -14.8 | 0 | 0 | 0 | 109.2 | ||||
| 806 | Q | 25.8 | Very low | 29.5 | Very low | 171 Ų | 171 | 153.9 Ų | 153.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -92.5 | 98.4 | 157.6 | -84 | -178 | -12.1 | 0 | 0 | 107.1 | N804 | N804-Q806 PolarHBondContact O-N 3.39Š| ||
| 807 | F | 26.5 | Very low | 28.3 | Very low | 207 Ų | 207 | 158.6 Ų | 158.6 | 91% | 0.908 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 164.7 | 67.3 | 152.9 | -97.6 | -73.1 | 0 | 0 | 0 | 107.5 | ||
| 808 | M | 29.3 | Very low | 27.8 | Very low | 188 Ų | 188 | 159.3 Ų | 159.3 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 162.5 | 62.5 | 160.9 | -87.7 | -145.6 | 156.8 | 0 | 0 | 107.7 | ||
| 809 | K | 25.2 | Very low | 27.3 | Very low | 197 Ų | 197 | 159 Ų | 159 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | trans | -149.9 | 89.1 | 167 | -87.2 | -168.1 | 178 | 179.5 | 0 | 108.4 | ||||
| 810 | Q | 26.3 | Very low | 27.2 | Very low | 193 Ų | 193 | 160 Ų | 160 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -166.4 | 130.7 | 146.1 | -106.2 | 161.1 | -0.6 | 0 | 0 | 107.2 | ||
| 811 | E | 26.1 | Very low | 27.3 | Very low | 196 Ų | 196 | 157.9 Ų | 157.9 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | S | Bend | trans | 90 | 62.3 | 175.9 | -52.9 | -173.1 | 177.7 | 0 | 0 | 117.9 | ||
| 812 | A | 29.6 | Very low | 27.1 | Very low | 101 Ų | 101 | 159 Ų | 159 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -161.9 | 75.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 813 | N | 24.8 | Very low | 27.3 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | -92.7 | 108.1 | 151.8 | -101.3 | -0.5 | 0 | 0 | 0 | 105.2 | ||||
| 814 | D | 30.5 | Very low | 27.3 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | 177.9 | 104.8 | 134.9 | -86.7 | -18.9 | 0 | 0 | 0 | 110 | ||||
| 815 | N | 27.6 | Very low | 27.4 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | 20.1 | 110.8 | 145.3 | -57 | -30 | 0 | 0 | 0 | 117.9 | ||||
| 816 | H | 33 | Very low | 27.3 | Very low | 191 Ų | 191 | 153.5 Ų | 153.5 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | -165.6 | 123.2 | 122 | -104 | -69.3 | 0 | 0 | 0 | 111.4 | |||||
| 817 | E | 24.9 | Very low | 27.3 | Very low | 182 Ų | 182 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -59.3 | 132.3 | 172 | -64 | 166.8 | 135.7 | 0 | 0 | 111.4 | ||||
| 818 | S | 29.8 | Very low | 27.6 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -166.9 | 87.9 | 155.5 | -75.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 819 | T | 25.3 | Very low | 28.3 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | 25.5 | 95.9 | 137.3 | -32.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 820 | C | 25.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -105.7 | 129.9 | 153.9 | -162 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 821 | V | 29.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | trans | -63 | 128.1 | -163.8 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V823 | V821-V823 HydrophobicContact CG1-CG2 3.94Å; V821-V823 PolarHBondContact O-N 2.99Å | ||
| 822 | I | 24.7 | Very low | 34.2 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | trans | -64.4 | 97.6 | 163.3 | -61.3 | 171.5 | 0 | 0 | 0 | 106.9 | S824 | I822-S824 PolarHBondContact O-N 3.33Š| ||
| 823 | V | 31.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -90.9 | 89.7 | 161.2 | -176.2 | 0 | 0 | 0 | 0 | 107 | V821 N825 | V821-V823 HydrophobicContact CG1-CG2 3.94Å; V821-V823 PolarHBondContact O-N 2.99Å; V823-N825 PolarHBondContact O-N 3.33Å | ||
| 824 | S | 24.5 | Very low | 39.5 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 59% | 0.594 | 66% | 0.659 | S | S | * | * | trans | -61.8 | 119.7 | 156.4 | 42.2 | 0 | 0 | 0 | 0 | 108.8 | I822 | I822-S824 PolarHBondContact O-N 3.33Š| ||
| 825 | N | 26.7 | Very low | 42 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | trans | -179.6 | 130.6 | 132.2 | -87 | -17.7 | 0 | 0 | 0 | 113.3 | V823 | V823-N825 PolarHBondContact O-N 3.33Š| ||
| 826 | N | 27.4 | Very low | 44.7 | Very low | 138 Ų | 138 | 107.9 Ų | 107.9 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | trans | 76.3 | 91.7 | 153.2 | -62.5 | -7.6 | 0 | 0 | 0 | 120.1 | T828 | N826-T828 PolarHBondContact O-N 3.15Š| ||
| 827 | S | 25.9 | Very low | 47.2 | Very low | 119 Ų | 119 | 98.8 Ų | 98.8 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | trans | -34.8 | 113.5 | 144.1 | 45.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 828 | T | 32.4 | Very low | 50.2 | Low | 136 Ų | 136 | 93.4 Ų | 93.4 | 83% | 0.834 | 57% | 0.566 | S | S | * | * | trans | -140.8 | 132.5 | 152.5 | 31.8 | 0 | 0 | 0 | 0 | 108.1 | N826 | N826-T828 PolarHBondContact O-N 3.15Š| ||
| 829 | S | 43.9 | Very low | 53 | Low | 103 Ų | 103 | 92.6 Ų | 92.6 | 72% | 0.72 | 55% | 0.551 | S | S | * | * | trans | -55.6 | 138.3 | -169.4 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | T831 | S829-T831 VanDerWaalsContact C-N 3.34Å; S829-T831 PolarHBondContact O-N 2.83Å; S829-T831 PolarHBondContact O-OG1 3.22Å | ||
| 830 | G | 56.7 | Low | 55.9 | Low | 63 Ų | 63 | 88.1 Ų | 88.1 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -70 | 76.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 831 | T | 66.3 | Low | 58.8 | Low | 44 Ų | 44 | 82.2 Ų | 82.2 | 27% | 0.27 | 48% | 0.48 | S | S | . | . | trans | -126.9 | 142.9 | 169.9 | 44.3 | 0 | 0 | 0 | 0 | 109.8 | S829 P966 N968 | S829-T831 VanDerWaalsContact C-N 3.34Å; S829-T831 PolarHBondContact O-N 2.83Å; S829-T831 PolarHBondContact O-OG1 3.22Å; T831-P966 WeakPolarHBondContact CA-O 3.03Å; T831-N968 HydrophobicContact CG2-CB 4.04Å | ||
| 832 | M | 78 | Confident | 61.5 | Low | 24 Ų | 24 | 80 Ų | 80 | 12% | 0.118 | 47% | 0.473 | C | S | . | . | B | Isolated β-bridge | trans | -117.6 | 138.6 | 175.1 | -170 | 173.9 | -71.2 | 0 | 0 | 109.4 | L790 I793 E836 L837 K840 P966 L967 N968 | L790-M832 HydrophobicContact CD2-SD 4.42Å; I793-M832 HydrophobicContact CD1-CB 3.52Å; I793-M832 HydrophobicContact CD1-CE 3.52Å; I793-M832 HydrophobicContact CD1-CG 3.91Å; I793-M832 HydrophobicContact CD1-SD 3.21Å; I793-M832 WeakPolarHBondContact CD1-SD 3.45Å; I793-M832 HydrophobicContact CG1-CB 4.27Å; M832-E836 WeakPolarHBondContact CA-OE2 3.16Å; M832-E836 HydrophobicContact CG-CB 3.48Å; M832-E836 VanDerWaalsContact CG-CB 3.48Å; M832-E836 HydrophobicContact SD-CB 4.26Å; M832-L837 HydrophobicContact CG-CB 4.47Å; M832-L837 HydrophobicContact SD-CB 4.03Å; M832-L837 HydrophobicContact SD-CD1 4.11Å; M832-K840 HydrophobicContact CE-CG 4.26Å; M832-K840 HydrophobicContact SD-CG 4.29Å; M832-P966 PolarHBondContact N-O 3.44Å; M832-L967 CarbonylContact O-C 3.5Å; M832-L967 WeakPolarHBondContact O-CA 3.49Å; M832-N968 PolarHBondContact O-N 3.22Å |
| 833 | T | 83.5 | Confident | 64.3 | Low | 30 Ų | 30 | 75.3 Ų | 75.3 | 18% | 0.184 | 45% | 0.448 | C | S | . | . | trans | -79.6 | 166 | 175.3 | 70.4 | 0 | 0 | 0 | 0 | 111.5 | E835 E836 L837 E971 | T833-E835 VanDerWaalsContact C-N 3.31Å; T833-E835 PolarHBondContact O-N 3.35Å; T833-E836 PolarHBondContact N-OE2 3.44Å; T833-E836 PolarHBondContact O-N 2.91Å; T833-E836 WeakPolarHBondContact OG1-CB 2.9Å; T833-E836 WeakPolarHBondContact OG1-CG 3.46Å; T833-E836 PolarHBondContact OG1-N 3.24Å; T833-E836 VanDerWaalsContact OG1-N 3.13Å; T833-E836 PolarHBondContact OG1-OE2 3.32Å; T833-L837 PolarHBondContact O-N 2.94Å; T833-E971 VanDerWaalsContact CG2-OE2 3.24Å; T833-E971 WeakPolarHBondContact CG2-OE2 3.48Å | ||
| 834 | L | 82.6 | Confident | 66.8 | Low | 11 Ų | 11 | 69.2 Ų | 69.2 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 175.6 | -166 | 73.3 | 0 | 0 | 0 | 111.3 | L837 E838 L862 K866 Q869 L967 L969 | L834-L837 PolarHBondContact O-N 3.44Å; L834-E838 WeakPolarHBondContact O-CG 3.43Å; L834-E838 PolarHBondContact O-N 3.11Å; L834-L862 HydrophobicContact CD1-CD1 3.65Å; L834-L862 HydrophobicContact CG-CD1 4.03Å; L834-K866 HydrophobicContact CD2-CG 4.07Å; L834-Q869 HydrophobicContact CD2-CB 4.24Å; L834-Q869 HydrophobicContact CD2-CG 4.43Å; L834-L967 HydrophobicContact CD1-CD2 3.97Å; L834-L969 HydrophobicContact CD1-CD2 4.27Å |
| 835 | E | 82.2 | Confident | 69.3 | Low | 127 Ų | 127 | 71.7 Ų | 71.7 | 59% | 0.593 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 178.5 | -175.9 | 173.7 | -169.1 | 0 | 0 | 112 | T833 L837 E838 I839 | T833-E835 VanDerWaalsContact C-N 3.31Å; T833-E835 PolarHBondContact O-N 3.35Å; E835-L837 VanDerWaalsContact C-N 3.32Å; E835-L837 PolarHBondContact O-N 2.9Å; E835-E838 WeakPolarHBondContact O-CB 3.43Å; E835-E838 PolarHBondContact O-N 3.33Å; E835-I839 HydrophobicContact CG-CD1 4.07Å; E835-I839 WeakPolarHBondContact O-CG1 3.33Å; E835-I839 PolarHBondContact O-N 3.37Å |
| 836 | E | 84.9 | Confident | 71.5 | Confident | 92 Ų | 92 | 69.4 Ų | 69.4 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175 | -74.3 | 169.9 | 165.7 | 0 | 0 | 111.9 | M832 T833 I839 K840 | M832-E836 WeakPolarHBondContact CA-OE2 3.16Å; M832-E836 HydrophobicContact CG-CB 3.48Å; M832-E836 VanDerWaalsContact CG-CB 3.48Å; M832-E836 HydrophobicContact SD-CB 4.26Å; T833-E836 PolarHBondContact N-OE2 3.44Å; T833-E836 PolarHBondContact O-N 2.91Å; T833-E836 WeakPolarHBondContact OG1-CB 2.9Å; T833-E836 WeakPolarHBondContact OG1-CG 3.46Å; T833-E836 PolarHBondContact OG1-N 3.24Å; T833-E836 VanDerWaalsContact OG1-N 3.13Å; T833-E836 PolarHBondContact OG1-OE2 3.32Å; E836-I839 PolarHBondContact O-N 3.24Å; E836-K840 WeakPolarHBondContact O-CB 3.46Å; E836-K840 WeakPolarHBondContact O-CG 3.28Å; E836-K840 PolarHBondContact O-N 2.92Å |
| 837 | L | 85.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 176 | -176.8 | 60.6 | 0 | 0 | 0 | 111.8 | L790 I793 M832 T833 L834 E835 K840 L841 A858 I861 L862 L967 | L790-L837 HydrophobicContact CD2-CD1 3.4Å; L790-L837 VanDerWaalsContact CD2-CD1 3.4Å; I793-L837 HydrophobicContact CD1-CD1 4.39Å; M832-L837 HydrophobicContact CG-CB 4.47Å; M832-L837 HydrophobicContact SD-CB 4.03Å; M832-L837 HydrophobicContact SD-CD1 4.11Å; T833-L837 PolarHBondContact O-N 2.94Å; L834-L837 PolarHBondContact O-N 3.44Å; E835-L837 VanDerWaalsContact C-N 3.32Å; E835-L837 PolarHBondContact O-N 2.9Å; L837-K840 PolarHBondContact O-N 2.98Å; L837-L841 HydrophobicContact CD1-CD1 4.38Å; L837-L841 HydrophobicContact CD1-CG 4.46Å; L837-L841 HydrophobicContact CG-CD1 4.18Å; L837-L841 WeakPolarHBondContact O-CB 3.35Å; L837-L841 WeakPolarHBondContact O-CG 3.37Å; L837-L841 PolarHBondContact O-N 3.41Å; L837-A858 HydrophobicContact CD1-CB 4.15Å; L837-I861 HydrophobicContact CD2-CG2 4.11Å; L837-L862 HydrophobicContact CD2-CB 3.88Å; L837-L862 HydrophobicContact CD2-CD1 4.33Å; L837-L862 HydrophobicContact CG-CB 4.34Å; L837-L862 HydrophobicContact CG-CD1 4.42Å; L837-L967 HydrophobicContact CB-CD1 4.05Å; L837-L967 HydrophobicContact CD2-CD1 3.75Å; L837-L967 HydrophobicContact CD2-CD2 4.49Å |
| 838 | E | 87.5 | Confident | 75.7 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 174 | -71.6 | -175.7 | -142.6 | 0 | 0 | 112.3 | L834 E835 K840 L841 A842 L862 K866 | L834-E838 WeakPolarHBondContact O-CG 3.43Å; L834-E838 PolarHBondContact O-N 3.11Å; E835-E838 WeakPolarHBondContact O-CB 3.43Å; E835-E838 PolarHBondContact O-N 3.33Å; E838-K840 VanDerWaalsContact C-N 3.3Å; E838-K840 PolarHBondContact O-N 3.02Å; E838-L841 PolarHBondContact O-N 3.28Å; E838-A842 WeakPolarHBondContact O-CB 3.45Å; E838-A842 PolarHBondContact O-N 3.41Å; E838-L862 HydrophobicContact CG-CD1 3.31Å; E838-L862 HydrophobicContact CG-CD2 3.7Å; E838-L862 HydrophobicContact CG-CG 4.11Å; E838-K866 WeakPolarHBondContact OE1-CE 3.41Å; E838-K866 IonicContact OE1-NZ 2.74Å; E838-K866 PolarHBondContact OE1-NZ 3.14Å; E838-K866 VanDerWaalsContact OE2-CE 3.32Å; E838-K866 WeakPolarHBondContact OE2-CE 2.92Å; E838-K866 IonicContact OE2-NZ 3.44Å; E838-K866 PolarHBondContact OE2-NZ 3.06Å |
| 839 | I | 88.3 | Confident | 78 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 177.3 | -68 | 166.6 | 0 | 0 | 0 | 109.7 | E835 E836 A842 E843 | E835-I839 HydrophobicContact CG-CD1 4.07Å; E835-I839 WeakPolarHBondContact O-CG1 3.33Å; E835-I839 PolarHBondContact O-N 3.37Å; E836-I839 PolarHBondContact O-N 3.24Å; I839-A842 PolarHBondContact O-N 3.31Å; I839-E843 WeakPolarHBondContact O-CB 3.47Å; I839-E843 PolarHBondContact O-N 3.05Å |
| 840 | K | 86.3 | Confident | 79.3 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 19% | 0.191 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.3 | -73.8 | -76.2 | 156.8 | -160.9 | 0 | 112.3 | W786 L790 M832 E836 L837 E838 E843 G844 | W786-K840 PolarHBondContact NE1-O 2.71Å; L790-K840 HydrophobicContact CD2-CB 4.17Å; M832-K840 HydrophobicContact CE-CG 4.26Å; M832-K840 HydrophobicContact SD-CG 4.29Å; E836-K840 WeakPolarHBondContact O-CB 3.46Å; E836-K840 WeakPolarHBondContact O-CG 3.28Å; E836-K840 PolarHBondContact O-N 2.92Å; L837-K840 PolarHBondContact O-N 2.98Å; E838-K840 VanDerWaalsContact C-N 3.3Å; E838-K840 PolarHBondContact O-N 3.02Å; K840-E843 WeakPolarHBondContact CD-OE2 3.03Å; K840-E843 WeakPolarHBondContact CE-OE2 3.4Å; K840-E843 IonicContact NZ-OE1 3Å; K840-E843 IonicContact NZ-OE2 3.5Å; K840-E843 PolarHBondContact NZ-OE2 3.36Å; K840-E843 PolarHBondContact O-N 3.48Å; K840-G844 PolarHBondContact O-N 2.88Å |
| 841 | L | 87.2 | Confident | 79.8 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 175.1 | -73.7 | 169.5 | 0 | 0 | 0 | 111.8 | L837 E838 G844 K845 Y855 A858 K859 L862 | L837-L841 HydrophobicContact CD1-CD1 4.38Å; L837-L841 HydrophobicContact CD1-CG 4.46Å; L837-L841 HydrophobicContact CG-CD1 4.18Å; L837-L841 WeakPolarHBondContact O-CB 3.35Å; L837-L841 WeakPolarHBondContact O-CG 3.37Å; L837-L841 PolarHBondContact O-N 3.41Å; E838-L841 PolarHBondContact O-N 3.28Å; L841-G844 PolarHBondContact O-N 3Å; L841-K845 WeakPolarHBondContact O-CB 3.46Å; L841-K845 PolarHBondContact O-N 3.13Å; L841-Y855 HydrophobicContact CB-CE2 4.19Å; L841-Y855 HydrophobicContact CD2-CD1 4.35Å; L841-Y855 HydrophobicContact CD2-CD2 3.55Å; L841-Y855 HydrophobicContact CD2-CE1 4.34Å; L841-Y855 HydrophobicContact CD2-CE2 3.57Å; L841-Y855 HydrophobicContact CD2-CG 3.94Å; L841-Y855 VanDerWaalsContact O-CE2 3.27Å; L841-Y855 WeakPolarHBondContact O-CE2 3.38Å; L841-A858 HydrophobicContact CD1-CB 4.49Å; L841-A858 HydrophobicContact CD2-CB 3.87Å; L841-A858 HydrophobicContact CG-CB 4.48Å; L841-K859 HydrophobicContact CD1-CB 4.25Å; L841-L862 HydrophobicContact CD1-CB 3.89Å; L841-L862 HydrophobicContact CD1-CD2 3.61Å; L841-L862 HydrophobicContact CD1-CG 4.32Å |
| 842 | A | 85.3 | Confident | 80.2 | Confident | 63 Ų | 63 | 50 Ų | 50 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E838 I839 K845 A846 | E838-A842 WeakPolarHBondContact O-CB 3.45Å; E838-A842 PolarHBondContact O-N 3.41Å; I839-A842 PolarHBondContact O-N 3.31Å; A842-K845 PolarHBondContact O-N 3.42Å; A842-A846 WeakPolarHBondContact O-CB 3.36Å; A842-A846 PolarHBondContact O-N 3.33Å |
| 843 | E | 84.9 | Confident | 80 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 27% | 0.271 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.6 | -50.6 | 172.2 | -179 | -175.9 | -171.5 | 0 | 0 | 110.6 | H782 I839 K840 K845 A846 A847 | H782-E843 IonicContact CE1-OE1 2.74Å; H782-E843 PolarHBondContact CE1-OE1 2.95Å; H782-E843 IonicContact NE2-OE1 3.31Å; H782-E843 PolarHBondContact NE2-OE1 3.29Å; I839-E843 WeakPolarHBondContact O-CB 3.47Å; I839-E843 PolarHBondContact O-N 3.05Å; K840-E843 WeakPolarHBondContact CD-OE2 3.03Å; K840-E843 WeakPolarHBondContact CE-OE2 3.4Å; K840-E843 IonicContact NZ-OE1 3Å; K840-E843 IonicContact NZ-OE2 3.5Å; K840-E843 PolarHBondContact NZ-OE2 3.36Å; K840-E843 PolarHBondContact O-N 3.48Å; E843-K845 VanDerWaalsContact C-N 3.34Å; E843-K845 PolarHBondContact O-N 3.04Å; E843-A846 PolarHBondContact O-N 3.07Å; E843-A847 WeakPolarHBondContact O-CB 3.22Å; E843-A847 PolarHBondContact O-N 3.33Å |
| 844 | G | 82.1 | Confident | 80 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K840 L841 G848 Y849 | K840-G844 PolarHBondContact O-N 2.88Å; L841-G844 PolarHBondContact O-N 3Å; G844-G848 PolarHBondContact O-N 3.36Å; G844-Y849 WeakPolarHBondContact O-CA 3.33Å; G844-Y849 WeakPolarHBondContact O-CB 3.32Å; G844-Y849 PolarHBondContact O-N 3.25Å |
| 845 | K | 77.6 | Confident | 80.1 | Confident | 137 Ų | 137 | 54.4 Ų | 54.4 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.8 | -45.2 | 175.9 | -170.5 | 179.7 | 178.1 | -173.8 | 0 | 111.6 | L841 A842 E843 A847 G848 Y855 | L841-K845 WeakPolarHBondContact O-CB 3.46Å; L841-K845 PolarHBondContact O-N 3.13Å; A842-K845 PolarHBondContact O-N 3.42Å; E843-K845 VanDerWaalsContact C-N 3.34Å; E843-K845 PolarHBondContact O-N 3.04Å; K845-A847 VanDerWaalsContact C-N 3.31Å; K845-A847 PolarHBondContact O-N 3.26Å; K845-G848 PolarHBondContact O-N 3.05Å; K845-Y855 HydrophobicContact CB-CE2 4.21Å |
| 846 | A | 73.3 | Confident | 79.9 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 78% | 0.777 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.4 | -36.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A842 E843 G848 | A842-A846 WeakPolarHBondContact O-CB 3.36Å; A842-A846 PolarHBondContact O-N 3.33Å; E843-A846 PolarHBondContact O-N 3.07Å; A846-G848 VanDerWaalsContact C-N 3.29Å; A846-G848 PolarHBondContact O-N 3.16Å |
| 847 | A | 72.4 | Confident | 79.6 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 20% | 0.198 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R779 E843 K845 Y849 | R779-A847 PolarHBondContact NH2-O 2.96Å; E843-A847 WeakPolarHBondContact O-CB 3.22Å; E843-A847 PolarHBondContact O-N 3.33Å; K845-A847 VanDerWaalsContact C-N 3.31Å; K845-A847 PolarHBondContact O-N 3.26Å; A847-Y849 HydrophobicContact CB-CD1 4.19Å; A847-Y849 HydrophobicContact CB-CD2 3.79Å; A847-Y849 HydrophobicContact CB-CE1 3.9Å; A847-Y849 HydrophobicContact CB-CE2 3.47Å; A847-Y849 VanDerWaalsContact CB-CE2 3.47Å; A847-Y849 HydrophobicContact CB-CG 4.14Å |
| 848 | G | 68.1 | Low | 79.6 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 16.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G844 K845 A846 H850 | G844-G848 PolarHBondContact O-N 3.36Å; K845-G848 PolarHBondContact O-N 3.05Å; A846-G848 VanDerWaalsContact C-N 3.29Å; A846-G848 PolarHBondContact O-N 3.16Å; G848-H850 VanDerWaalsContact C-N 3.28Å; G848-H850 PolarHBondContact O-N 3.4Å |
| 849 | Y | 81.2 | Confident | 79.4 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -83 | -0.3 | -178.3 | -52.5 | -26.2 | 0 | 0 | 0 | 114.1 | I624 R779 H782 F783 W786 G844 A847 T851 D852 | I624-Y849 HydrophobicContact CB-CD1 4.06Å; I624-Y849 HydrophobicContact CB-CE1 4.42Å; I624-Y849 HydrophobicContact CD1-CD1 4.23Å; I624-Y849 HydrophobicContact CD1-CE1 3.71Å; I624-Y849 HydrophobicContact CG1-CD1 3.95Å; I624-Y849 HydrophobicContact CG1-CE1 3.91Å; R779-Y849 PolarHBondContact O-OH 2.87Å; H782-Y849 AromaticContact CD2-CE2 3.9Å; H782-Y849 PolarHBondContact CD2-OH 3.49Å; H782-Y849 VanDerWaalsContact CD2-OH 3.25Å; F783-Y849 HydrophobicContact CB-CD1 4.45Å; F783-Y849 HydrophobicContact CB-CE1 3.83Å; F783-Y849 HydrophobicContact CB-CE2 4.11Å; F783-Y849 AromaticContact CD2-CD1 3.62Å; F783-Y849 HydrophobicContact CD2-CD1 3.62Å; F783-Y849 AromaticContact CD2-CD2 3.86Å; F783-Y849 HydrophobicContact CD2-CD2 3.86Å; F783-Y849 AromaticContact CD2-CE1 3.87Å; F783-Y849 HydrophobicContact CD2-CE1 3.87Å; F783-Y849 HydrophobicContact CD2-CE2 4.1Å; F783-Y849 AromaticContact CD2-CG 3.61Å; F783-Y849 HydrophobicContact CD2-CG 3.61Å; F783-Y849 HydrophobicContact CE2-CD1 4.28Å; F783-Y849 HydrophobicContact CE2-CG 4.15Å; F783-Y849 HydrophobicContact CG-CD1 4.38Å; F783-Y849 HydrophobicContact CG-CE1 4.22Å; F783-Y849 PolarHBondContact N-OH 3.09Å; W786-Y849 HydrophobicContact CB-CE2 4.43Å; W786-Y849 AromaticContact CD2-CD2 3.81Å; W786-Y849 HydrophobicContact CD2-CD2 3.81Å; W786-Y849 HydrophobicContact CD2-CE2 4.49Å; W786-Y849 AromaticContact CE3-CD2 3.82Å; W786-Y849 HydrophobicContact CE3-CD2 3.82Å; W786-Y849 HydrophobicContact CE3-CG 4.37Å; W786-Y849 HydrophobicContact CG-CD2 4.15Å; W786-Y849 HydrophobicContact CG-CE2 4.4Å; W786-Y849 HydrophobicContact CZ3-CD2 4.35Å; G844-Y849 WeakPolarHBondContact O-CA 3.33Å; G844-Y849 WeakPolarHBondContact O-CB 3.32Å; G844-Y849 PolarHBondContact O-N 3.25Å; A847-Y849 HydrophobicContact CB-CD1 4.19Å; A847-Y849 HydrophobicContact CB-CD2 3.79Å; A847-Y849 HydrophobicContact CB-CE1 3.9Å; A847-Y849 HydrophobicContact CB-CE2 3.47Å; A847-Y849 VanDerWaalsContact CB-CE2 3.47Å; A847-Y849 HydrophobicContact CB-CG 4.14Å; Y849-T851 PolarHBondContact O-N 3.05Å; Y849-T851 VanDerWaalsContact O-N 3.1Å; Y849-D852 WeakPolarHBondContact O-CB 3.49Å; Y849-D852 PolarHBondContact O-N 3.06Å |
| 850 | H | 72 | Confident | 79.1 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -65.2 | -12.6 | -176.7 | 65.9 | -85.4 | 0 | 0 | 0 | 114.6 | G848 Y855 | G848-H850 VanDerWaalsContact C-N 3.28Å; G848-H850 PolarHBondContact O-N 3.4Å; H850-Y855 HydrophobicContact CB-CD1 4.04Å; H850-Y855 HydrophobicContact CB-CD2 4.25Å; H850-Y855 HydrophobicContact CB-CE1 3.9Å; H850-Y855 HydrophobicContact CB-CE2 4.09Å; H850-Y855 HydrophobicContact CB-CG 4.25Å |
| 851 | T | 66.4 | Low | 78.9 | Confident | 52 Ų | 52 | 49.9 Ų | 49.9 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -83.2 | -10 | 174 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | Y849 | Y849-T851 PolarHBondContact O-N 3.05Å; Y849-T851 VanDerWaalsContact O-N 3.1Å |
| 852 | D | 74.5 | Confident | 78.8 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -80 | 141.7 | 178.6 | -171.7 | -95.4 | 0 | 0 | 0 | 111.5 | F783 R787 Y849 T854 Y855 N856 | F783-D852 HydrophobicContact CE2-CB 4.24Å; F783-D852 HydrophobicContact CZ-CB 4.29Å; R787-D852 IonicContact NE-OD1 3.8Å; Y849-D852 WeakPolarHBondContact O-CB 3.49Å; Y849-D852 PolarHBondContact O-N 3.06Å; D852-T854 PolarHBondContact O-N 3.21Å; D852-T854 WeakPolarHBondContact OD1-CA 3.47Å; D852-T854 WeakPolarHBondContact OD1-CB 3.27Å; D852-T854 PolarHBondContact OD1-N 2.83Å; D852-T854 PolarHBondContact OD1-OG1 3.44Å; D852-Y855 VanDerWaalsContact O-CB 3.26Å; D852-Y855 WeakPolarHBondContact O-CB 3.26Å; D852-Y855 PolarHBondContact O-N 2.97Å; D852-N856 PolarHBondContact O-N 3.5Å |
| 853 | D | 75.2 | Confident | 78.4 | Confident | 123 Ų | 123 | 51.3 Ų | 51.3 | 66% | 0.658 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.9 | -35 | 179.7 | -66 | -29.7 | 0 | 0 | 0 | 112.3 | Y855 N856 D857 | D853-Y855 PolarHBondContact O-N 3.39Å; D853-N856 PolarHBondContact O-N 2.73Å; D853-N856 VanDerWaalsContact O-N 3.12Å; D853-D857 PolarHBondContact O-N 2.73Å |
| 854 | T | 81.5 | Confident | 78.1 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 177.8 | -39.9 | 0 | 0 | 0 | 0 | 110.9 | R787 L790 I794 D852 A858 | R787-T854 HydrophobicContact CG-CG2 4.07Å; R787-T854 PolarHBondContact NE-OG1 2.98Å; R787-T854 VanDerWaalsContact NE-OG1 3.13Å; L790-T854 HydrophobicContact CB-CG2 3.89Å; I794-T854 HydrophobicContact CD1-CG2 3.33Å; I794-T854 VanDerWaalsContact CD1-O 3.31Å; I794-T854 WeakPolarHBondContact CD1-O 3.41Å; D852-T854 PolarHBondContact O-N 3.21Å; D852-T854 WeakPolarHBondContact OD1-CA 3.47Å; D852-T854 WeakPolarHBondContact OD1-CB 3.27Å; D852-T854 PolarHBondContact OD1-N 2.83Å; D852-T854 PolarHBondContact OD1-OG1 3.44Å; T854-A858 WeakPolarHBondContact O-CB 3.41Å; T854-A858 PolarHBondContact O-N 2.86Å |
| 855 | Y | 85.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 175.3 | -176.6 | -85.1 | 0 | 0 | 0 | 111.1 | W786 L841 K845 H850 D852 D853 A858 K859 | W786-Y855 AromaticContact CH2-CD2 3.81Å; W786-Y855 HydrophobicContact CH2-CD2 3.81Å; W786-Y855 HydrophobicContact CH2-CG 4.35Å; W786-Y855 AromaticContact CZ2-CD2 3.85Å; W786-Y855 HydrophobicContact CZ2-CD2 3.85Å; L841-Y855 HydrophobicContact CB-CE2 4.19Å; L841-Y855 HydrophobicContact CD2-CD1 4.35Å; L841-Y855 HydrophobicContact CD2-CD2 3.55Å; L841-Y855 HydrophobicContact CD2-CE1 4.34Å; L841-Y855 HydrophobicContact CD2-CE2 3.57Å; L841-Y855 HydrophobicContact CD2-CG 3.94Å; L841-Y855 VanDerWaalsContact O-CE2 3.27Å; L841-Y855 WeakPolarHBondContact O-CE2 3.38Å; K845-Y855 HydrophobicContact CB-CE2 4.21Å; H850-Y855 HydrophobicContact CB-CD1 4.04Å; H850-Y855 HydrophobicContact CB-CD2 4.25Å; H850-Y855 HydrophobicContact CB-CE1 3.9Å; H850-Y855 HydrophobicContact CB-CE2 4.09Å; H850-Y855 HydrophobicContact CB-CG 4.25Å; D852-Y855 VanDerWaalsContact O-CB 3.26Å; D852-Y855 WeakPolarHBondContact O-CB 3.26Å; D852-Y855 PolarHBondContact O-N 2.97Å; D853-Y855 PolarHBondContact O-N 3.39Å; Y855-A858 PolarHBondContact O-N 3.44Å; Y855-K859 HydrophobicContact CE1-CB 4.41Å; Y855-K859 HydrophobicContact CE1-CD 4.11Å; Y855-K859 VanDerWaalsContact O-CB 3.29Å; Y855-K859 WeakPolarHBondContact O-CB 3.45Å; Y855-K859 PolarHBondContact O-N 3.4Å |
| 856 | N | 77.8 | Confident | 78.3 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | -177.2 | -69 | -42.7 | 0 | 0 | 0 | 111.8 | D852 D853 K859 T860 | D852-N856 PolarHBondContact O-N 3.5Å; D853-N856 PolarHBondContact O-N 2.73Å; D853-N856 VanDerWaalsContact O-N 3.12Å; N856-K859 PolarHBondContact O-N 2.88Å; N856-T860 WeakPolarHBondContact O-CB 3.29Å; N856-T860 PolarHBondContact O-N 3.49Å; N856-T860 PolarHBondContact O-OG1 2.7Å |
| 857 | D | 80.1 | Confident | 78.6 | Confident | 72 Ų | 72 | 48 Ų | 48 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.6 | -48.7 | 173.3 | -73.3 | -18.2 | 0 | 0 | 0 | 111.1 | I794 D853 K859 T860 I861 | I794-D857 HydrophobicContact CD1-CB 3.71Å; I794-D857 HydrophobicContact CG1-CB 3.96Å; I794-D857 HydrophobicContact CG2-CB 3.89Å; D853-D857 PolarHBondContact O-N 2.73Å; D857-K859 VanDerWaalsContact C-N 3.34Å; D857-K859 PolarHBondContact O-N 2.67Å; D857-T860 WeakPolarHBondContact O-CB 3.5Å; D857-T860 PolarHBondContact O-N 3.07Å; D857-I861 WeakPolarHBondContact O-CG1 3.35Å; D857-I861 PolarHBondContact O-N 2.79Å |
| 858 | A | 84.3 | Confident | 79 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L790 I794 L837 L841 T854 Y855 I861 L862 | L790-A858 HydrophobicContact CD1-CB 4.13Å; L790-A858 HydrophobicContact CD2-CB 4.26Å; I794-A858 HydrophobicContact CD1-CB 4.21Å; L837-A858 HydrophobicContact CD1-CB 4.15Å; L841-A858 HydrophobicContact CD1-CB 4.49Å; L841-A858 HydrophobicContact CD2-CB 3.87Å; L841-A858 HydrophobicContact CG-CB 4.48Å; T854-A858 WeakPolarHBondContact O-CB 3.41Å; T854-A858 PolarHBondContact O-N 2.86Å; Y855-A858 PolarHBondContact O-N 3.44Å; A858-I861 WeakPolarHBondContact O-CB 3.5Å; A858-I861 PolarHBondContact O-N 3.43Å; A858-L862 WeakPolarHBondContact O-CB 3.21Å; A858-L862 PolarHBondContact O-N 3.44Å |
| 859 | K | 84.6 | Confident | 79.7 | Confident | 96 Ų | 96 | 49 Ų | 49 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 175 | -173.9 | -177.5 | 177.9 | -170.6 | 0 | 111.7 | L841 Y855 N856 D857 I861 L862 D863 | L841-K859 HydrophobicContact CD1-CB 4.25Å; Y855-K859 HydrophobicContact CE1-CB 4.41Å; Y855-K859 HydrophobicContact CE1-CD 4.11Å; Y855-K859 VanDerWaalsContact O-CB 3.29Å; Y855-K859 WeakPolarHBondContact O-CB 3.45Å; Y855-K859 PolarHBondContact O-N 3.4Å; N856-K859 PolarHBondContact O-N 2.88Å; D857-K859 VanDerWaalsContact C-N 3.34Å; D857-K859 PolarHBondContact O-N 2.67Å; K859-I861 VanDerWaalsContact C-N 3.32Å; K859-I861 PolarHBondContact O-N 2.93Å; K859-L862 WeakPolarHBondContact O-CB 3.41Å; K859-L862 PolarHBondContact O-N 3Å; K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 2.87Å |
| 860 | T | 81.2 | Confident | 79.6 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 42% | 0.417 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | N856 D857 R864 | N856-T860 WeakPolarHBondContact O-CB 3.29Å; N856-T860 PolarHBondContact O-N 3.49Å; N856-T860 PolarHBondContact O-OG1 2.7Å; D857-T860 WeakPolarHBondContact O-CB 3.5Å; D857-T860 PolarHBondContact O-N 3.07Å; T860-R864 WeakPolarHBondContact O-CG 3.38Å; T860-R864 PolarHBondContact O-N 3.2Å; T860-R864 VanDerWaalsContact O-N 3.14Å |
| 861 | I | 82.2 | Confident | 79.9 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 173.5 | -69.6 | 169.5 | 0 | 0 | 0 | 110.6 | I794 L837 D857 A858 K859 R864 G865 L964 L967 | I794-I861 HydrophobicContact CB-CD1 4.31Å; I794-I861 HydrophobicContact CG1-CD1 3.74Å; L837-I861 HydrophobicContact CD2-CG2 4.11Å; D857-I861 WeakPolarHBondContact O-CG1 3.35Å; D857-I861 PolarHBondContact O-N 2.79Å; A858-I861 WeakPolarHBondContact O-CB 3.5Å; A858-I861 PolarHBondContact O-N 3.43Å; K859-I861 VanDerWaalsContact C-N 3.32Å; K859-I861 PolarHBondContact O-N 2.93Å; I861-R864 PolarHBondContact O-N 3.07Å; I861-G865 PolarHBondContact O-N 3.35Å; I861-L964 HydrophobicContact CG2-CD2 4.46Å; I861-L967 HydrophobicContact CG2-CB 4.49Å; I861-L967 HydrophobicContact CG2-CD2 3.96Å |
| 862 | L | 84.3 | Confident | 80.6 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 176.2 | 175.9 | 68.1 | 0 | 0 | 0 | 111.5 | L834 L837 E838 L841 A858 K859 R864 G865 K866 | L834-L862 HydrophobicContact CD1-CD1 3.65Å; L834-L862 HydrophobicContact CG-CD1 4.03Å; L837-L862 HydrophobicContact CD2-CB 3.88Å; L837-L862 HydrophobicContact CD2-CD1 4.33Å; L837-L862 HydrophobicContact CG-CB 4.34Å; L837-L862 HydrophobicContact CG-CD1 4.42Å; E838-L862 HydrophobicContact CG-CD1 3.31Å; E838-L862 HydrophobicContact CG-CD2 3.7Å; E838-L862 HydrophobicContact CG-CG 4.11Å; L841-L862 HydrophobicContact CD1-CB 3.89Å; L841-L862 HydrophobicContact CD1-CD2 3.61Å; L841-L862 HydrophobicContact CD1-CG 4.32Å; A858-L862 WeakPolarHBondContact O-CB 3.21Å; A858-L862 PolarHBondContact O-N 3.44Å; K859-L862 WeakPolarHBondContact O-CB 3.41Å; K859-L862 PolarHBondContact O-N 3Å; L862-R864 VanDerWaalsContact C-N 3.27Å; L862-R864 PolarHBondContact O-N 3.09Å; L862-G865 PolarHBondContact O-N 3.33Å; L862-G865 VanDerWaalsContact O-N 3.09Å; L862-K866 HydrophobicContact CD1-CG 4.32Å; L862-K866 HydrophobicContact CG-CD 4.37Å; L862-K866 HydrophobicContact CG-CG 4.49Å; L862-K866 PolarHBondContact O-N 2.98Å |
| 863 | D | 78.5 | Confident | 80.9 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | -179.5 | -71 | -22.4 | 0 | 0 | 0 | 111.1 | K859 H867 | K859-D863 VanDerWaalsContact O-CG 3.27Å; K859-D863 PolarHBondContact O-N 2.87Å; D863-H867 WeakPolarHBondContact O-CB 3.34Å; D863-H867 PolarHBondContact O-N 3.27Å |
| 864 | R | 77.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 49 Ų | 49 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -44.4 | 172.1 | -72.7 | 177.2 | 178.9 | -169.5 | 4 | 112.4 | T860 I861 L862 H867 L868 L964 | T860-R864 WeakPolarHBondContact O-CG 3.38Å; T860-R864 PolarHBondContact O-N 3.2Å; T860-R864 VanDerWaalsContact O-N 3.14Å; I861-R864 PolarHBondContact O-N 3.07Å; L862-R864 VanDerWaalsContact C-N 3.27Å; L862-R864 PolarHBondContact O-N 3.09Å; R864-H867 WeakPolarHBondContact O-CB 3.31Å; R864-H867 PolarHBondContact O-N 3.4Å; R864-L868 PolarHBondContact O-N 3.26Å; R864-L964 HydrophobicContact CB-CD1 4.36Å; R864-L964 HydrophobicContact CB-CD2 4.41Å |
| 865 | G | 82.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I861 L862 H867 L868 Q869 | I861-G865 PolarHBondContact O-N 3.35Å; L862-G865 PolarHBondContact O-N 3.33Å; L862-G865 VanDerWaalsContact O-N 3.09Å; G865-H867 VanDerWaalsContact C-N 3.31Å; G865-H867 PolarHBondContact O-N 3.13Å; G865-L868 PolarHBondContact O-N 3.2Å; G865-Q869 WeakPolarHBondContact O-CB 3.14Å; G865-Q869 PolarHBondContact O-N 3Å |
| 866 | K | 82.2 | Confident | 79.9 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 27% | 0.274 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.4 | -42 | 173.1 | -76.5 | -172.5 | 172.2 | -171 | 0 | 112.1 | L834 E838 L862 Q869 Q870 | L834-K866 HydrophobicContact CD2-CG 4.07Å; E838-K866 WeakPolarHBondContact OE1-CE 3.41Å; E838-K866 IonicContact OE1-NZ 2.74Å; E838-K866 PolarHBondContact OE1-NZ 3.14Å; E838-K866 VanDerWaalsContact OE2-CE 3.32Å; E838-K866 WeakPolarHBondContact OE2-CE 2.92Å; E838-K866 IonicContact OE2-NZ 3.44Å; E838-K866 PolarHBondContact OE2-NZ 3.06Å; L862-K866 HydrophobicContact CD1-CG 4.32Å; L862-K866 HydrophobicContact CG-CD 4.37Å; L862-K866 HydrophobicContact CG-CG 4.49Å; L862-K866 PolarHBondContact O-N 2.98Å; K866-Q869 PolarHBondContact O-N 2.69Å; K866-Q870 WeakPolarHBondContact O-CB 3.16Å; K866-Q870 VanDerWaalsContact O-CG 3.23Å; K866-Q870 WeakPolarHBondContact O-CG 3.36Å; K866-Q870 PolarHBondContact O-N 3.04Å |
| 867 | H | 79.2 | Confident | 79.4 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 32% | 0.324 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.8 | -172.7 | 67.3 | 0 | 0 | 0 | 112.2 | D863 R864 G865 Q870 I871 F904 | D863-H867 WeakPolarHBondContact O-CB 3.34Å; D863-H867 PolarHBondContact O-N 3.27Å; R864-H867 WeakPolarHBondContact O-CB 3.31Å; R864-H867 PolarHBondContact O-N 3.4Å; G865-H867 VanDerWaalsContact C-N 3.31Å; G865-H867 PolarHBondContact O-N 3.13Å; H867-Q870 PolarHBondContact O-N 3.34Å; H867-I871 WeakPolarHBondContact O-CG1 3.38Å; H867-I871 PolarHBondContact O-N 2.94Å; H867-I871 VanDerWaalsContact O-N 3.09Å; H867-F904 AromaticContact CE1-CD1 3.84Å; H867-F904 AromaticContact CE1-CE1 3.62Å |
| 868 | L | 81.4 | Confident | 78.7 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -39.7 | 176.3 | -65.9 | -177.2 | 0 | 0 | 0 | 112.5 | R864 G865 I871 C872 L940 L957 L964 L969 | R864-L868 PolarHBondContact O-N 3.26Å; G865-L868 PolarHBondContact O-N 3.2Å; L868-I871 HydrophobicContact CD2-CD1 4.41Å; L868-I871 PolarHBondContact O-N 3.48Å; L868-C872 PolarHBondContact O-N 3.19Å; L868-C872 PolarHBondContact O-SG 3.43Å; L868-L940 HydrophobicContact CD2-CD1 4.3Å; L868-L957 HydrophobicContact CD2-CD1 4.03Å; L868-L964 HydrophobicContact CD1-CD1 3.57Å; L868-L969 HydrophobicContact CB-CD1 4.43Å; L868-L969 HydrophobicContact CD1-CD1 3.95Å |
| 869 | Q | 81.4 | Confident | 77.7 | Confident | 50 Ų | 50 | 47.6 Ų | 47.6 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 173.8 | -172.6 | -164.9 | 37.4 | 0 | 0 | 110.6 | L834 G865 K866 I871 C872 V873 D972 | L834-Q869 HydrophobicContact CD2-CB 4.24Å; L834-Q869 HydrophobicContact CD2-CG 4.43Å; G865-Q869 WeakPolarHBondContact O-CB 3.14Å; G865-Q869 PolarHBondContact O-N 3Å; K866-Q869 PolarHBondContact O-N 2.69Å; Q869-I871 VanDerWaalsContact C-N 3.31Å; Q869-I871 PolarHBondContact O-N 3.23Å; Q869-C872 PolarHBondContact O-N 3.08Å; Q869-C872 VanDerWaalsContact O-N 3.12Å; Q869-V873 HydrophobicContact CG-CG2 4.45Å; Q869-V873 VanDerWaalsContact O-CG2 3.3Å; Q869-V873 WeakPolarHBondContact O-CG2 3.26Å; Q869-V873 PolarHBondContact O-N 2.98Å; Q869-D972 PolarHBondContact NE2-OD2 2.76Å |
| 870 | Q | 79.5 | Confident | 76.6 | Confident | 91 Ų | 91 | 45.5 Ų | 45.5 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 176.2 | -75.3 | 174.1 | 6.3 | 0 | 0 | 112.5 | K866 H867 K874 | K866-Q870 WeakPolarHBondContact O-CB 3.16Å; K866-Q870 VanDerWaalsContact O-CG 3.23Å; K866-Q870 WeakPolarHBondContact O-CG 3.36Å; K866-Q870 PolarHBondContact O-N 3.04Å; H867-Q870 PolarHBondContact O-N 3.34Å; Q870-K874 WeakPolarHBondContact O-CB 3.07Å; Q870-K874 VanDerWaalsContact O-CG 3.27Å; Q870-K874 WeakPolarHBondContact O-CG 3.43Å; Q870-K874 PolarHBondContact O-N 3.09Å |
| 871 | I | 79.3 | Confident | 75.2 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.3 | -65.9 | 166.1 | 0 | 0 | 0 | 110.2 | H867 L868 Q869 K874 L875 L944 L957 | H867-I871 WeakPolarHBondContact O-CG1 3.38Å; H867-I871 PolarHBondContact O-N 2.94Å; H867-I871 VanDerWaalsContact O-N 3.09Å; L868-I871 HydrophobicContact CD2-CD1 4.41Å; L868-I871 PolarHBondContact O-N 3.48Å; Q869-I871 VanDerWaalsContact C-N 3.31Å; Q869-I871 PolarHBondContact O-N 3.23Å; I871-K874 PolarHBondContact O-N 2.88Å; I871-L875 HydrophobicContact CG2-CD1 4.04Å; I871-L875 WeakPolarHBondContact O-CG 3.32Å; I871-L875 PolarHBondContact O-N 2.83Å; I871-L944 HydrophobicContact CG2-CD2 4.09Å; I871-L957 HydrophobicContact CB-CD1 4.4Å; I871-L957 HydrophobicContact CG2-CD1 3.96Å; I871-L957 HydrophobicContact CG2-CD2 3.94Å |
| 872 | C | 81 | Confident | 73.6 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | L868 Q869 K874 L875 K876 V975 V978 | L868-C872 PolarHBondContact O-N 3.19Å; L868-C872 PolarHBondContact O-SG 3.43Å; Q869-C872 PolarHBondContact O-N 3.08Å; Q869-C872 VanDerWaalsContact O-N 3.12Å; C872-K874 VanDerWaalsContact C-N 3.33Å; C872-K874 PolarHBondContact O-N 3.34Å; C872-L875 PolarHBondContact O-N 3.29Å; C872-K876 PolarHBondContact O-N 2.77Å; C872-V975 HydrophobicContact CB-CG2 4.36Å; C872-V978 HydrophobicContact CB-CG2 4.38Å |
| 873 | V | 79.4 | Confident | 71.2 | Confident | 73 Ų | 73 | 49 Ų | 49 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | Q869 L875 K876 S974 | Q869-V873 HydrophobicContact CG-CG2 4.45Å; Q869-V873 VanDerWaalsContact O-CG2 3.3Å; Q869-V873 WeakPolarHBondContact O-CG2 3.26Å; Q869-V873 PolarHBondContact O-N 2.98Å; V873-L875 VanDerWaalsContact C-N 3.31Å; V873-L875 PolarHBondContact O-N 3.35Å; V873-K876 WeakPolarHBondContact O-CB 3.13Å; V873-K876 PolarHBondContact O-N 3.32Å; V873-S974 VanDerWaalsContact CG2-OG 3.28Å; V873-S974 WeakPolarHBondContact CG2-OG 3.44Å |
| 874 | K | 76.6 | Confident | 69.1 | Low | 97 Ų | 97 | 52 Ų | 52 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.5 | -22.1 | 179.6 | -67.4 | 178.5 | 177.5 | -173.3 | 0 | 113.6 | Q870 I871 C872 P877 F904 V946 | Q870-K874 WeakPolarHBondContact O-CB 3.07Å; Q870-K874 VanDerWaalsContact O-CG 3.27Å; Q870-K874 WeakPolarHBondContact O-CG 3.43Å; Q870-K874 PolarHBondContact O-N 3.09Å; I871-K874 PolarHBondContact O-N 2.88Å; C872-K874 VanDerWaalsContact C-N 3.33Å; C872-K874 PolarHBondContact O-N 3.34Å; K874-P877 WeakPolarHBondContact O-CD 2.97Å; K874-F904 HydrophobicContact CD-CE2 4.36Å; K874-V946 HydrophobicContact CB-CG1 3.52Å; K874-V946 WeakPolarHBondContact O-CG1 3.3Å |
| 875 | L | 75.2 | Confident | 67 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -77.4 | -23.3 | 175.4 | -76.4 | 168.3 | 0 | 0 | 0 | 113.6 | I871 C872 V873 S878 I879 L944 V946 P949 L954 L957 | I871-L875 HydrophobicContact CG2-CD1 4.04Å; I871-L875 WeakPolarHBondContact O-CG 3.32Å; I871-L875 PolarHBondContact O-N 2.83Å; C872-L875 PolarHBondContact O-N 3.29Å; V873-L875 VanDerWaalsContact C-N 3.31Å; V873-L875 PolarHBondContact O-N 3.35Å; L875-S878 PolarHBondContact O-N 2.95Å; L875-S878 VanDerWaalsContact O-N 3.16Å; L875-I879 HydrophobicContact CB-CD1 3.9Å; L875-I879 WeakPolarHBondContact O-CG1 3.5Å; L875-I879 PolarHBondContact O-N 3.42Å; L875-L944 HydrophobicContact CD2-CD2 4.32Å; L875-V946 HydrophobicContact CD2-CG1 4.1Å; L875-V946 HydrophobicContact CG-CG1 4.21Å; L875-P949 HydrophobicContact CD2-CB 3.63Å; L875-P949 HydrophobicContact CD2-CG 3.66Å; L875-L954 HydrophobicContact CD1-CD2 3.9Å; L875-L954 HydrophobicContact CD2-CD2 4.36Å; L875-L957 HydrophobicContact CD1-CD2 3.26Å |
| 876 | K | 70 | Confident | 64.8 | Low | 49 Ų | 49 | 56.7 Ų | 56.7 | 21% | 0.213 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.4 | -46.7 | -175.4 | -174.5 | -178.3 | 179.2 | -178.1 | 0 | 114 | C872 V873 S878 I879 I880 I977 | C872-K876 PolarHBondContact O-N 2.77Å; V873-K876 WeakPolarHBondContact O-CB 3.13Å; V873-K876 PolarHBondContact O-N 3.32Å; K876-S878 PolarHBondContact O-N 3.31Å; K876-I879 PolarHBondContact O-N 3.46Å; K876-I880 HydrophobicContact CG-CD1 4.19Å; K876-I880 PolarHBondContact O-N 2.61Å; K876-I880 VanDerWaalsContact O-N 3.08Å; K876-I977 HydrophobicContact CD-CD1 3.93Å; K876-I977 HydrophobicContact CG-CD1 4.32Å |
| 877 | P | 67.1 | Low | 62.7 | Low | 80 Ų | 80 | 62.8 Ų | 62.8 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 179.9 | -20.1 | 33.9 | 0 | 0 | 0 | 113.1 | K874 I879 G881 | K874-P877 WeakPolarHBondContact O-CD 2.97Å; P877-I879 VanDerWaalsContact C-N 3.26Å; P877-I879 PolarHBondContact O-N 3.23Å; P877-G881 PolarHBondContact O-N 3.34Å |
| 878 | S | 65.5 | Low | 60.5 | Low | 17 Ų | 17 | 66.6 Ų | 66.6 | 12% | 0.119 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.2 | -21.8 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | L875 K876 V946 | L875-S878 PolarHBondContact O-N 2.95Å; L875-S878 VanDerWaalsContact O-N 3.16Å; K876-S878 PolarHBondContact O-N 3.31Å; S878-V946 PolarHBondContact OG-O 3.14Å |
| 879 | I | 62.4 | Low | 58.1 | Low | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -95 | -55.1 | -176 | -69.4 | 168.7 | 0 | 0 | 0 | 111.8 | L875 K876 P877 L954 V978 L981 S1061 | L875-I879 HydrophobicContact CB-CD1 3.9Å; L875-I879 WeakPolarHBondContact O-CG1 3.5Å; L875-I879 PolarHBondContact O-N 3.42Å; K876-I879 PolarHBondContact O-N 3.46Å; P877-I879 VanDerWaalsContact C-N 3.26Å; P877-I879 PolarHBondContact O-N 3.23Å; I879-L954 HydrophobicContact CD1-CD2 4.19Å; I879-V978 HydrophobicContact CD1-CG2 4.17Å; I879-L981 HydrophobicContact CB-CD2 4.25Å; I879-L981 HydrophobicContact CD1-CD2 3.73Å; I879-L981 HydrophobicContact CG1-CD2 3.75Å; I879-L981 HydrophobicContact CG2-CB 4.12Å; I879-L981 HydrophobicContact CG2-CD1 3.69Å; I879-L981 HydrophobicContact CG2-CD2 3.52Å; I879-L981 HydrophobicContact CG2-CG 3.94Å; I879-S1061 PolarHBondContact O-OG 3Å |
| 880 | I | 61.8 | Low | 55.6 | Low | 52 Ų | 52 | 73.2 Ų | 73.2 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -90.9 | -22.8 | -167.7 | -59.4 | -178.6 | 0 | 0 | 0 | 111.9 | K876 I977 | K876-I880 HydrophobicContact CG-CD1 4.19Å; K876-I880 PolarHBondContact O-N 2.61Å; K876-I880 VanDerWaalsContact O-N 3.08Å; I880-I977 HydrophobicContact CD1-CD1 4.47Å; I880-I977 HydrophobicContact CD1-CG1 4.4Å; I880-I977 HydrophobicContact CD1-CG2 3.65Å; I880-I977 HydrophobicContact CG1-CG2 4.33Å |
| 881 | G | 53.3 | Low | 53.2 | Low | 22 Ų | 22 | 73.6 Ų | 73.6 | 23% | 0.227 | 41% | 0.412 | C | S | . | . | trans | 70.3 | 160.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P877 G883 S1061 | P877-G881 PolarHBondContact O-N 3.34Å; G881-G883 PolarHBondContact O-N 2.78Å; G881-S1061 WeakPolarHBondContact CA-OG 3.44Å; G881-S1061 PolarHBondContact N-OG 3.18Å | ||
| 882 | T | 47.7 | Very low | 50.8 | Low | 115 Ų | 115 | 77 Ų | 77 | 71% | 0.706 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -80.3 | 28.7 | -169.8 | 45.6 | 0 | 0 | 0 | 0 | 114.8 | G1509 | T882-G1509 WeakPolarHBondContact O-CA 3.47Š|
| 883 | G | 34.8 | Very low | 48.4 | Very low | 46 Ų | 46 | 83.4 Ų | 83.4 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -161.8 | 101.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G881 | G881-G883 PolarHBondContact O-N 2.78Š|
| 884 | N | 33.3 | Very low | 45.9 | Very low | 147 Ų | 147 | 85.7 Ų | 85.7 | 79% | 0.786 | 49% | 0.487 | S | S | * | . | trans | 152.8 | 69.1 | 149.7 | -88.4 | -17.8 | 0 | 0 | 0 | 112.1 | ||||
| 885 | T | 34.2 | Very low | 43.8 | Very low | 41 Ų | 41 | 88.7 Ų | 88.7 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | trans | -120.1 | 31.2 | -174.7 | 40.4 | 0 | 0 | 0 | 0 | 117 | K887 K1506 | T885-K887 PolarHBondContact O-N 3.47Å; T885-K887 VanDerWaalsContact O-N 3.15Å; T885-K1506 PolarHBondContact OG1-O 2.99Å | ||
| 886 | D | 35.4 | Very low | 41.4 | Very low | 145 Ų | 145 | 93.7 Ų | 93.7 | 78% | 0.775 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 5.5 | 172.3 | -91.1 | -38 | 0 | 0 | 0 | 115.5 | ||
| 887 | K | 38.5 | Very low | 39.4 | Very low | 191 Ų | 191 | 96.1 Ų | 96.1 | 83% | 0.83 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -1.9 | -178.2 | -82.2 | -175.6 | 177.5 | 174.7 | 0 | 116.2 | T885 | T885-K887 PolarHBondContact O-N 3.47Å; T885-K887 VanDerWaalsContact O-N 3.15Å |
| 888 | F | 33.8 | Very low | 37.6 | Very low | 151 Ų | 151 | 98 Ų | 98 | 66% | 0.662 | 57% | 0.573 | S | S | * | * | trans | -148.1 | 79.1 | -175 | -78.1 | -94 | 0 | 0 | 0 | 112.3 | ||||
| 889 | K | 30 | Very low | 35.9 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 39% | 0.387 | 61% | 0.611 | S | S | . | * | trans | -137.9 | 109.1 | 171.7 | -86.9 | -171.2 | 174 | -173.3 | 0 | 113.6 | D1504 D1507 | K889-D1504 IonicContact NZ-OD2 3.27Å; K889-D1504 PolarHBondContact NZ-OD2 3.45Å; K889-D1507 WeakPolarHBondContact CE-OD2 3.35Å; K889-D1507 IonicContact NZ-OD2 3.15Å; K889-D1507 PolarHBondContact NZ-OD2 3.37Å | ||
| 890 | S | 28.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 80% | 0.797 | 64% | 0.636 | S | S | * | * | trans | 178.3 | 128.9 | 143.8 | 44.1 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 891 | S | 28.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | cis | -157.7 | 137.5 | 13.1 | 36.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 892 | S | 29 | Very low | 31.8 | Very low | 85 Ų | 85 | 115.3 Ų | 115.3 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | -166.3 | 130.2 | 161.6 | 7.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 893 | T | 30.9 | Very low | 31 | Very low | 135 Ų | 135 | 118.1 Ų | 118.1 | 83% | 0.828 | 68% | 0.677 | S | S | * | * | trans | -70.9 | 154.1 | -178.4 | 28.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 894 | N | 27.7 | Very low | 31 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 65% | 0.652 | 67% | 0.666 | S | S | * | * | trans | -61 | 130.1 | -173.5 | -70.2 | -32.3 | 0 | 0 | 0 | 115.3 | D1501 | N894-D1501 PolarHBondContact ND2-OD2 3.08Š| ||
| 895 | I | 31.8 | Very low | 31 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 82% | 0.821 | 66% | 0.655 | S | S | * | * | trans | -128.9 | 117.7 | 155.7 | -62.5 | 179.3 | 0 | 0 | 0 | 109.2 | ||||
| 896 | S | 26 | Very low | 31 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -78.2 | 156 | 179.3 | 170.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 897 | S | 27.8 | Very low | 30.7 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | trans | 110.5 | 115.5 | 146.7 | 78.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 898 | T | 28.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | trans | 57.3 | 104.4 | 140.6 | 31.2 | 0 | 0 | 0 | 0 | 120.3 | N900 | T898-N900 PolarHBondContact O-N 3.19Š| ||
| 899 | V | 30.3 | Very low | 30.1 | Very low | 150 Ų | 150 | 121.3 Ų | 121.3 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | trans | -81.6 | 103.3 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 900 | N | 30.9 | Very low | 30.1 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 54% | 0.535 | 68% | 0.675 | S | S | . | * | trans | -97.9 | 152.3 | 154.5 | -109.7 | -25.4 | 0 | 0 | 0 | 108.6 | T898 V902 | T898-N900 PolarHBondContact O-N 3.19Å; N900-V902 VanDerWaalsContact C-N 3.32Å; N900-V902 PolarHBondContact O-N 3.47Å | ||
| 901 | P | 29.4 | Very low | 30 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | trans | -74.1 | 82.9 | -177.7 | 31.1 | -32.3 | 0 | 0 | 0 | 110.1 | K903 | P901-K903 PolarHBondContact O-N 3.46Š| ||
| 902 | V | 30.9 | Very low | 30 | Very low | 86 Ų | 86 | 121.5 Ų | 121.5 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | trans | -80.7 | 102.7 | -178.2 | -178.3 | 0 | 0 | 0 | 0 | 110 | N900 F904 | N900-V902 VanDerWaalsContact C-N 3.32Å; N900-V902 PolarHBondContact O-N 3.47Å; V902-F904 HydrophobicContact CG1-CD1 4.42Å; V902-F904 HydrophobicContact CG1-CD2 4.3Å; V902-F904 HydrophobicContact CG1-CE1 4.4Å; V902-F904 HydrophobicContact CG1-CE2 4.28Å; V902-F904 HydrophobicContact CG1-CG 4.38Å; V902-F904 HydrophobicContact CG1-CZ 4.35Å; V902-F904 PolarHBondContact O-N 3.15Å | ||
| 903 | K | 30 | Very low | 29.8 | Very low | 174 Ų | 174 | 123.3 Ų | 123.3 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | trans | -62.7 | 115.6 | 154.1 | -74.4 | -178.1 | 175.6 | -175.7 | 0 | 107.9 | P901 Q905 | P901-K903 PolarHBondContact O-N 3.46Å; K903-Q905 PolarHBondContact O-N 2.84Å | ||
| 904 | F | 36.1 | Very low | 29.5 | Very low | 54 Ų | 54 | 123 Ų | 123 | 24% | 0.237 | 67% | 0.669 | C | S | . | * | trans | -77.8 | 92.4 | 175.3 | -82.6 | -81.4 | 0 | 0 | 0 | 110.3 | H867 K874 V902 V946 | H867-F904 AromaticContact CE1-CD1 3.84Å; H867-F904 AromaticContact CE1-CE1 3.62Å; K874-F904 HydrophobicContact CD-CE2 4.36Å; V902-F904 HydrophobicContact CG1-CD1 4.42Å; V902-F904 HydrophobicContact CG1-CD2 4.3Å; V902-F904 HydrophobicContact CG1-CE1 4.4Å; V902-F904 HydrophobicContact CG1-CE2 4.28Å; V902-F904 HydrophobicContact CG1-CG 4.38Å; V902-F904 HydrophobicContact CG1-CZ 4.35Å; V902-F904 PolarHBondContact O-N 3.15Å; F904-V946 HydrophobicContact CD2-CG2 4.45Å | ||
| 905 | Q | 32.4 | Very low | 29.3 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 56% | 0.556 | 67% | 0.671 | S | S | * | * | trans | -85.6 | 117.3 | 159.6 | -89.9 | -176.4 | -8.8 | 0 | 0 | 108.9 | K903 R907 | K903-Q905 PolarHBondContact O-N 2.84Å; Q905-R907 HydrophobicContact CB-CG 4.45Å; Q905-R907 PolarHBondContact O-N 3.25Å | ||
| 906 | T | 33.8 | Very low | 29 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 53% | 0.534 | 67% | 0.674 | S | S | . | * | trans | -68.1 | 80.1 | 166.9 | 44.6 | 0 | 0 | 0 | 0 | 109.4 | R908 | T906-R908 PolarHBondContact O-N 3.36Š| ||
| 907 | R | 30.4 | Very low | 28.9 | Very low | 211 Ų | 211 | 120.7 Ų | 120.7 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | trans | -73.5 | 80.9 | 172.3 | -76.8 | -170.2 | 178 | -169.2 | 0.5 | 110 | Q905 | Q905-R907 HydrophobicContact CB-CG 4.45Å; Q905-R907 PolarHBondContact O-N 3.25Å | ||
| 908 | R | 29.7 | Very low | 28.9 | Very low | 226 Ų | 226 | 120.7 Ų | 120.7 | 85% | 0.853 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 131.2 | 118.7 | 156.7 | -74.7 | 176.8 | -178.8 | -171.9 | 1.4 | 111.5 | T906 A910 | T906-R908 PolarHBondContact O-N 3.36Å; R908-A910 PolarHBondContact O-N 3.39Å |
| 909 | P | 28.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 60% | 0.597 | 68% | 0.677 | S | S | * | * | trans | -69.3 | 125 | 169.2 | 29.1 | -29.2 | 0 | 0 | 0 | 108.1 | T911 | P909-T911 VanDerWaalsContact C-N 3.26Å; P909-T911 PolarHBondContact O-N 2.7Å; P909-T911 PolarHBondContact O-OG1 3.48Å | ||
| 910 | A | 29.9 | Very low | 28.8 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | trans | -77.6 | 85.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | R908 F912 | R908-A910 PolarHBondContact O-N 3.39Å; A910-F912 PolarHBondContact O-N 3.04Å | ||
| 911 | T | 27.2 | Very low | 28.6 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 69% | 0.693 | 69% | 0.688 | S | S | * | * | trans | -71.2 | 108.4 | 179.3 | -28 | 0 | 0 | 0 | 0 | 109.7 | P909 | P909-T911 VanDerWaalsContact C-N 3.26Å; P909-T911 PolarHBondContact O-N 2.7Å; P909-T911 PolarHBondContact O-OG1 3.48Å | ||
| 912 | F | 28.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 121 Ų | 121 | 55% | 0.553 | 69% | 0.693 | S | S | * | * | trans | -94.9 | 108.5 | 160.7 | -86.9 | -87.3 | 0 | 0 | 0 | 108.6 | A910 Y937 | A910-F912 PolarHBondContact O-N 3.04Å; F912-Y937 HydrophobicContact CB-CE2 4.24Å | ||
| 913 | T | 23.6 | Very low | 28.3 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 76% | 0.755 | 70% | 0.7 | S | S | * | * | trans | -86.5 | 108.2 | 172.3 | -49.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 914 | V | 26 | Very low | 28.2 | Very low | 127 Ų | 127 | 119 Ų | 119 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -114.8 | 116.6 | 159.5 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 915 | A | 22.5 | Very low | 27.8 | Very low | 86 Ų | 86 | 121 Ų | 121 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -81 | 124.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 916 | T | 26.2 | Very low | 27.5 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -157.7 | 149 | 149.9 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 917 | S | 23.7 | Very low | 27.1 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -93.3 | 159.3 | -155.7 | 46.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 918 | S | 27.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 77 | 101.5 | 146.3 | 63.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 919 | T | 27 | Very low | 26.7 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 48.1 | 126.9 | 121.5 | 58.8 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 920 | N | 29.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | 111.8 | 122.4 | 134.3 | -71.3 | -12.9 | 0 | 0 | 0 | 120.8 | ||||
| 921 | G | 28.1 | Very low | 26.4 | Very low | 78 Ų | 78 | 130 Ų | 130 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | 121.8 | 82.5 | 125.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 922 | C | 25.8 | Very low | 26.2 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | trans | 20.8 | 129.8 | 141 | -145.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 923 | A | 27.9 | Very low | 26.2 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | 133.8 | 118.7 | 115.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 924 | T | 27.7 | Very low | 26.3 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 89.4 | 139.5 | 149.7 | 63.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 925 | P | 27.4 | Very low | 26.5 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | trans | -121 | 111.8 | -157.6 | 34.3 | -13.6 | 0 | 0 | 0 | 113.7 | ||||
| 926 | H | 25.5 | Very low | 26.8 | Very low | 191 Ų | 191 | 130.8 Ų | 130.8 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | trans | -167.9 | 91.6 | 156.6 | -91 | -57.6 | 0 | 0 | 0 | 109.4 | ||||
| 927 | K | 26.2 | Very low | 27.2 | Very low | 187 Ų | 187 | 131.2 Ų | 131.2 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 179.2 | 152.8 | 159.8 | -104.8 | 162.3 | -174.7 | -179.3 | 0 | 106.3 | I929 | K927-I929 VanDerWaalsContact C-N 3.34Å; K927-I929 WeakPolarHBondContact O-CG1 3.19Å; K927-I929 PolarHBondContact O-N 3.24Å |
| 928 | V | 26.7 | Very low | 28 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | trans | -49.1 | 97.5 | 167 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | K930 | V928-K930 PolarHBondContact O-N 3.41Š| ||
| 929 | I | 24.5 | Very low | 28.7 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 56% | 0.564 | 73% | 0.731 | S | S | * | * | trans | -83.4 | 96 | -172.1 | -52 | -169.9 | 0 | 0 | 0 | 107 | K927 L931 | K927-I929 VanDerWaalsContact C-N 3.34Å; K927-I929 WeakPolarHBondContact O-CG1 3.19Å; K927-I929 PolarHBondContact O-N 3.24Å; I929-L931 HydrophobicContact CG2-CG 4.49Å; I929-L931 PolarHBondContact O-N 3.31Å | ||
| 930 | K | 26 | Very low | 29.6 | Very low | 201 Ų | 201 | 122.3 Ų | 122.3 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | -47 | 101.4 | 141.6 | -83 | -178.1 | 171.6 | -176.7 | 0 | 106 | V928 | V928-K930 PolarHBondContact O-N 3.41Š| ||
| 931 | L | 25.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -57.6 | 133.3 | 175.2 | -88.7 | 136.9 | 0 | 0 | 0 | 107.7 | I929 S933 | I929-L931 HydrophobicContact CG2-CG 4.49Å; I929-L931 PolarHBondContact O-N 3.31Å; L931-S933 PolarHBondContact O-N 3.41Å | ||
| 932 | P | 24.4 | Very low | 31.3 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -64 | 138.3 | -176.1 | 26.3 | -31.6 | 0 | 0 | 0 | 109.6 | N934 | P932-N934 PolarHBondContact O-N 3.12Š| ||
| 933 | S | 28 | Very low | 32.6 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -49.4 | 92.6 | 169.4 | 48.3 | 0 | 0 | 0 | 0 | 110.9 | L931 | L931-S933 PolarHBondContact O-N 3.41Š| ||
| 934 | N | 25.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 80% | 0.802 | 63% | 0.625 | S | S | * | * | trans | -144 | 109.4 | 169 | -105.9 | -11.6 | 0 | 0 | 0 | 108.3 | P932 G936 | P932-N934 PolarHBondContact O-N 3.12Å; N934-G936 PolarHBondContact O-N 3.44Å | ||
| 935 | N | 29.9 | Very low | 36 | Very low | 165 Ų | 165 | 113 Ų | 113 | 88% | 0.882 | 60% | 0.604 | S | S | * | * | trans | -63.7 | 87.5 | -171.3 | -71.2 | -17.6 | 0 | 0 | 0 | 113.3 | ||||
| 936 | G | 29.5 | Very low | 37.8 | Very low | 62 Ų | 62 | 109.3 Ų | 109.3 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | trans | -129 | 113.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N934 | N934-G936 PolarHBondContact O-N 3.44Š| ||
| 937 | Y | 35.1 | Very low | 39.7 | Very low | 153 Ų | 153 | 106.1 Ų | 106.1 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | trans | -51.3 | 135.5 | 178.2 | -69.7 | -88.4 | 0 | 0 | 0 | 111.9 | F912 V939 | F912-Y937 HydrophobicContact CB-CE2 4.24Å; Y937-V939 PolarHBondContact O-N 3.47Å | ||
| 938 | V | 38.8 | Very low | 41.5 | Very low | 35 Ų | 35 | 101.3 Ų | 101.3 | 21% | 0.212 | 55% | 0.553 | C | S | . | * | trans | -82.6 | 102.5 | 170.9 | 174.3 | 0 | 0 | 0 | 0 | 107 | Q963 | V938-Q963 VanDerWaalsContact N-OE1 3.14Š| ||
| 939 | V | 42.2 | Very low | 43.6 | Very low | 77 Ų | 77 | 94.3 Ų | 94.3 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | trans | -83.1 | 124 | 172.5 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | Y937 N941 | Y937-V939 PolarHBondContact O-N 3.47Å; V939-N941 WeakPolarHBondContact CG1-OD1 3.31Å; V939-N941 PolarHBondContact O-N 2.9Å | ||
| 940 | L | 46 | Very low | 45.7 | Very low | 33 Ų | 33 | 95.9 Ų | 95.9 | 17% | 0.173 | 51% | 0.509 | C | S | . | . | trans | -65.7 | 77 | 164 | -76.6 | 167 | 0 | 0 | 0 | 109 | L868 H942 R956 | L868-L940 HydrophobicContact CD2-CD1 4.3Å; L940-H942 VanDerWaalsContact C-N 3.28Å; L940-R956 HydrophobicContact CD2-CB 3.93Å | ||
| 941 | N | 42.8 | Very low | 47.9 | Very low | 127 Ų | 127 | 89 Ų | 89 | 68% | 0.679 | 48% | 0.48 | S | S | * | . | trans | -85.3 | 4.4 | 178.3 | -82.9 | -25.7 | 0 | 0 | 0 | 113 | V939 | V939-N941 WeakPolarHBondContact CG1-OD1 3.31Å; V939-N941 PolarHBondContact O-N 2.9Å | ||
| 942 | H | 51.2 | Low | 50 | Low | 52 Ų | 52 | 87.7 Ų | 87.7 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -116.5 | 141.9 | -178.4 | 66.4 | -74.5 | 0 | 0 | 0 | 110.8 | L940 L944 D953 | L940-H942 VanDerWaalsContact C-N 3.28Å; H942-L944 PolarHBondContact O-N 3.24Å; H942-D953 IonicContact CD2-OD1 3.24Å; H942-D953 PolarHBondContact CD2-OD1 3.3Å; H942-D953 IonicContact NE2-OD1 2.79Å; H942-D953 PolarHBondContact NE2-OD1 3.13Å; H942-D953 VanDerWaalsContact NE2-OD1 3.13Å |
| 943 | E | 52.7 | Low | 52.4 | Low | 117 Ų | 117 | 83.1 Ų | 83.1 | 55% | 0.547 | 44% | 0.436 | S | S | . | . | trans | -63.4 | 115.5 | 171.7 | -66.3 | -175 | 164.6 | 0 | 0 | 108.6 | ||||
| 944 | L | 62.3 | Low | 54.8 | Low | 24 Ų | 24 | 77.5 Ų | 77.5 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | trans | -88.4 | 117.1 | 173.7 | -179.2 | 141.6 | 0 | 0 | 0 | 108.7 | I871 L875 H942 V946 D953 | I871-L944 HydrophobicContact CG2-CD2 4.09Å; L875-L944 HydrophobicContact CD2-CD2 4.32Å; H942-L944 PolarHBondContact O-N 3.24Å; L944-V946 HydrophobicContact CD2-CB 4.44Å; L944-V946 HydrophobicContact CD2-CG2 3.71Å; L944-V946 PolarHBondContact O-N 2.93Å; L944-D953 HydrophobicContact CD1-CB 3.77Å; L944-D953 HydrophobicContact CG-CB 4.23Å | ||
| 945 | D | 65.8 | Low | 57.2 | Low | 77 Ų | 77 | 74.1 Ų | 74.1 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | trans | -80.9 | 104.3 | 173 | -173.7 | -11.8 | 0 | 0 | 0 | 109.2 | N947 N948 P949 | D945-N947 PolarHBondContact O-N 3.44Å; D945-N947 WeakPolarHBondContact OD1-CB 3.45Å; D945-N947 PolarHBondContact OD1-N 3.41Å; D945-N948 HydrophobicContact CB-CB 4.22Å; D945-N948 CarbonylContact O-C 3.59Å; D945-N948 PolarHBondContact O-N 2.95Å; D945-N948 VanDerWaalsContact O-N 3.12Å; D945-N948 PolarHBondContact OD1-N 3.49Å; D945-N948 VanDerWaalsContact OD1-N 3.14Å; D945-N948 WeakPolarHBondContact OD2-CB 3.38Å; D945-P949 WeakPolarHBondContact O-CA 3.49Å; D945-P949 VanDerWaalsContact O-CD 3.32Å; D945-P949 WeakPolarHBondContact O-CD 3.49Å | ||
| 946 | V | 65.3 | Low | 59.4 | Low | 19 Ų | 19 | 69.5 Ų | 69.5 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -67.4 | -24.2 | -177.5 | -170.1 | 0 | 0 | 0 | 0 | 112.2 | K874 L875 S878 F904 L944 | K874-V946 HydrophobicContact CB-CG1 3.52Å; K874-V946 WeakPolarHBondContact O-CG1 3.3Å; L875-V946 HydrophobicContact CD2-CG1 4.1Å; L875-V946 HydrophobicContact CG-CG1 4.21Å; S878-V946 PolarHBondContact OG-O 3.14Å; F904-V946 HydrophobicContact CD2-CG2 4.45Å; L944-V946 HydrophobicContact CD2-CB 4.44Å; L944-V946 HydrophobicContact CD2-CG2 3.71Å; L944-V946 PolarHBondContact O-N 2.93Å |
| 947 | N | 63.7 | Low | 61.8 | Low | 123 Ų | 123 | 66.6 Ų | 66.6 | 66% | 0.658 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -84.1 | -26.7 | 175.7 | -58.2 | -46.1 | 0 | 0 | 0 | 111.1 | D945 P949 R1065 | D945-N947 PolarHBondContact O-N 3.44Å; D945-N947 WeakPolarHBondContact OD1-CB 3.45Å; D945-N947 PolarHBondContact OD1-N 3.41Å; N947-P949 VanDerWaalsContact C-CD 3.5Å; N947-R1065 PolarHBondContact O-NH1 2.95Å; N947-R1065 VanDerWaalsContact O-NH1 3.11Å; N947-R1065 PolarHBondContact O-NH2 3.19Å |
| 948 | N | 65.2 | Low | 64 | Low | 87 Ų | 87 | 60.1 Ų | 60.1 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -129.5 | 57.6 | -179.8 | -161.3 | 21.8 | 0 | 0 | 0 | 114.6 | D945 R950 | D945-N948 HydrophobicContact CB-CB 4.22Å; D945-N948 CarbonylContact O-C 3.59Å; D945-N948 PolarHBondContact O-N 2.95Å; D945-N948 VanDerWaalsContact O-N 3.12Å; D945-N948 PolarHBondContact OD1-N 3.49Å; D945-N948 VanDerWaalsContact OD1-N 3.14Å; D945-N948 WeakPolarHBondContact OD2-CB 3.38Å; N948-R950 PolarHBondContact O-N 3.46Å |
| 949 | P | 70.3 | Confident | 65.7 | Low | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | trans | -65.1 | 130.1 | -179.5 | 24.5 | -37.7 | 0 | 0 | 0 | 112.1 | L875 D945 N947 L954 R1065 | L875-P949 HydrophobicContact CD2-CB 3.63Å; L875-P949 HydrophobicContact CD2-CG 3.66Å; D945-P949 WeakPolarHBondContact O-CA 3.49Å; D945-P949 VanDerWaalsContact O-CD 3.32Å; D945-P949 WeakPolarHBondContact O-CD 3.49Å; N947-P949 VanDerWaalsContact C-CD 3.5Å; P949-L954 HydrophobicContact CB-CD2 4.02Å; P949-L954 HydrophobicContact CB-CG 4.25Å; P949-R1065 VanDerWaalsContact CD-NH1 3.29Å | ||
| 950 | R | 69.3 | Low | 67.3 | Low | 143 Ų | 143 | 58.5 Ų | 58.5 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | trans | -85.4 | 155.5 | 167.9 | -55.1 | 169.3 | -66.5 | -175.4 | 2 | 109.7 | N948 Y952 D953 L954 | N948-R950 PolarHBondContact O-N 3.46Å; R950-Y952 PolarHBondContact O-N 3.43Å; R950-Y952 VanDerWaalsContact O-N 3.16Å; R950-D953 WeakPolarHBondContact CB-OD2 3.35Å; R950-D953 WeakPolarHBondContact CG-OD2 3.46Å; R950-D953 IonicContact CZ-OD1 3.79Å; R950-D953 IonicContact CZ-OD2 2.99Å; R950-D953 PolarHBondContact N-OD2 3.43Å; R950-D953 IonicContact NE-OD1 3.2Å; R950-D953 PolarHBondContact NE-OD1 2.9Å; R950-D953 IonicContact NE-OD2 3.59Å; R950-D953 PolarHBondContact NE-OD2 3.04Å; R950-D953 IonicContact NH2-OD1 3.24Å; R950-D953 PolarHBondContact NH2-OD1 3.2Å; R950-D953 IonicContact NH2-OD2 2.69Å; R950-D953 WeakPolarHBondContact O-CB 3.43Å; R950-D953 PolarHBondContact O-N 2.88Å; R950-L954 PolarHBondContact O-N 3.29Å | ||
| 951 | E | 72 | Confident | 68.9 | Low | 57 Ų | 57 | 57 Ų | 57 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.2 | -38.6 | 175.6 | -174.6 | 176.3 | 172.5 | 0 | 0 | 112.3 | D953 L954 L955 L982 L985 H989 | E951-D953 PolarHBondContact O-N 2.98Å; E951-L954 PolarHBondContact O-N 3.1Å; E951-L955 WeakPolarHBondContact O-CG 3.38Å; E951-L955 PolarHBondContact O-N 3.46Å; E951-L982 HydrophobicContact CG-CD2 4.34Å; E951-L985 HydrophobicContact CG-CD1 4.47Å; E951-H989 IonicContact OE1-CD2 2.99Å; E951-H989 IonicContact OE1-NE2 3.16Å; E951-H989 PolarHBondContact OE1-NE2 2.84Å; E951-H989 IonicContact OE2-CD2 3.3Å; E951-H989 IonicContact OE2-CE1 3.48Å; E951-H989 IonicContact OE2-NE2 3.6Å; E951-H989 PolarHBondContact OE2-NE2 3.5Å |
| 952 | Y | 70.7 | Confident | 70.5 | Confident | 123 Ų | 123 | 56.8 Ų | 56.8 | 48% | 0.482 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -38.4 | 175 | -177.7 | -97.5 | 0 | 0 | 0 | 113.5 | R950 L954 L955 R956 | R950-Y952 PolarHBondContact O-N 3.43Å; R950-Y952 VanDerWaalsContact O-N 3.16Å; Y952-L954 VanDerWaalsContact C-N 3.33Å; Y952-L955 PolarHBondContact O-N 3.44Å; Y952-R956 HydrophobicContact CD1-CG 4.27Å; Y952-R956 HydrophobicContact CE1-CG 3.88Å; Y952-R956 WeakPolarHBondContact O-CG 3.44Å; Y952-R956 PolarHBondContact O-N 2.87Å; Y952-R956 PolarHBondContact OH-NE 3.34Å; Y952-R956 PolarHBondContact OH-NH2 3.24Å |
| 953 | D | 73.1 | Confident | 71.4 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 179.9 | -54.5 | -36.3 | 0 | 0 | 0 | 110.1 | H942 L944 R950 E951 R956 L957 | H942-D953 IonicContact CD2-OD1 3.24Å; H942-D953 PolarHBondContact CD2-OD1 3.3Å; H942-D953 IonicContact NE2-OD1 2.79Å; H942-D953 PolarHBondContact NE2-OD1 3.13Å; H942-D953 VanDerWaalsContact NE2-OD1 3.13Å; L944-D953 HydrophobicContact CD1-CB 3.77Å; L944-D953 HydrophobicContact CG-CB 4.23Å; R950-D953 WeakPolarHBondContact CB-OD2 3.35Å; R950-D953 WeakPolarHBondContact CG-OD2 3.46Å; R950-D953 IonicContact CZ-OD1 3.79Å; R950-D953 IonicContact CZ-OD2 2.99Å; R950-D953 PolarHBondContact N-OD2 3.43Å; R950-D953 IonicContact NE-OD1 3.2Å; R950-D953 PolarHBondContact NE-OD1 2.9Å; R950-D953 IonicContact NE-OD2 3.59Å; R950-D953 PolarHBondContact NE-OD2 3.04Å; R950-D953 IonicContact NH2-OD1 3.24Å; R950-D953 PolarHBondContact NH2-OD1 3.2Å; R950-D953 IonicContact NH2-OD2 2.69Å; R950-D953 WeakPolarHBondContact O-CB 3.43Å; R950-D953 PolarHBondContact O-N 2.88Å; E951-D953 PolarHBondContact O-N 2.98Å; D953-R956 PolarHBondContact O-N 3.09Å; D953-L957 WeakPolarHBondContact O-CB 3.47Å; D953-L957 PolarHBondContact O-N 2.84Å |
| 954 | L | 78.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 175.3 | -61.1 | 172.8 | 0 | 0 | 0 | 112.3 | L875 I879 P949 R950 E951 Y952 L957 M958 V978 L981 L982 Y1062 | L875-L954 HydrophobicContact CD1-CD2 3.9Å; L875-L954 HydrophobicContact CD2-CD2 4.36Å; I879-L954 HydrophobicContact CD1-CD2 4.19Å; P949-L954 HydrophobicContact CB-CD2 4.02Å; P949-L954 HydrophobicContact CB-CG 4.25Å; R950-L954 PolarHBondContact O-N 3.29Å; E951-L954 PolarHBondContact O-N 3.1Å; Y952-L954 VanDerWaalsContact C-N 3.33Å; L954-L957 WeakPolarHBondContact O-CB 3.3Å; L954-L957 PolarHBondContact O-N 2.81Å; L954-M958 WeakPolarHBondContact O-CG 3.16Å; L954-M958 PolarHBondContact O-N 3.32Å; L954-V978 HydrophobicContact CB-CG1 4.41Å; L954-V978 HydrophobicContact CD2-CG1 4.03Å; L954-L981 HydrophobicContact CD1-CD2 3.53Å; L954-L982 HydrophobicContact CB-CD1 4.22Å; L954-L982 HydrophobicContact CB-CD2 4.03Å; L954-L982 HydrophobicContact CB-CG 4.29Å; L954-Y1062 HydrophobicContact CD1-CE2 4.34Å |
| 955 | L | 77.9 | Confident | 72.3 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 174.5 | -73.9 | 169.1 | 0 | 0 | 0 | 111.4 | E951 Y952 L957 M958 E959 L982 | E951-L955 WeakPolarHBondContact O-CG 3.38Å; E951-L955 PolarHBondContact O-N 3.46Å; Y952-L955 PolarHBondContact O-N 3.44Å; L955-L957 VanDerWaalsContact C-N 3.31Å; L955-L957 PolarHBondContact O-N 2.86Å; L955-M958 PolarHBondContact O-N 3.48Å; L955-E959 WeakPolarHBondContact O-CG 3.43Å; L955-E959 PolarHBondContact O-N 3.39Å; L955-L982 HydrophobicContact CD2-CD1 4.28Å; L955-L982 HydrophobicContact CD2-CD2 3.84Å; L955-L982 HydrophobicContact CG-CD2 3.93Å |
| 956 | R | 74.9 | Confident | 72.2 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 26% | 0.26 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 176.3 | -71.7 | -61.9 | -168.9 | -179.3 | 1.4 | 112.9 | L940 Y952 D953 E959 S960 | L940-R956 HydrophobicContact CD2-CB 3.93Å; Y952-R956 HydrophobicContact CD1-CG 4.27Å; Y952-R956 HydrophobicContact CE1-CG 3.88Å; Y952-R956 WeakPolarHBondContact O-CG 3.44Å; Y952-R956 PolarHBondContact O-N 2.87Å; Y952-R956 PolarHBondContact OH-NE 3.34Å; Y952-R956 PolarHBondContact OH-NH2 3.24Å; D953-R956 PolarHBondContact O-N 3.09Å; R956-E959 VanDerWaalsContact CD-OE2 3.23Å; R956-E959 WeakPolarHBondContact CD-OE2 3.31Å; R956-E959 IonicContact CZ-OE2 2.58Å; R956-E959 IonicContact NE-OE2 2.7Å; R956-E959 IonicContact NH1-OE2 3.54Å; R956-E959 PolarHBondContact NH1-OE2 3.28Å; R956-S960 WeakPolarHBondContact O-CB 3.44Å; R956-S960 PolarHBondContact O-N 2.96Å; R956-S960 PolarHBondContact O-OG 3.2Å |
| 957 | L | 79.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 173.5 | -179.8 | 61.9 | 0 | 0 | 0 | 111.6 | L868 I871 L875 D953 L954 L955 S960 C961 | L868-L957 HydrophobicContact CD2-CD1 4.03Å; I871-L957 HydrophobicContact CB-CD1 4.4Å; I871-L957 HydrophobicContact CG2-CD1 3.96Å; I871-L957 HydrophobicContact CG2-CD2 3.94Å; L875-L957 HydrophobicContact CD1-CD2 3.26Å; D953-L957 WeakPolarHBondContact O-CB 3.47Å; D953-L957 PolarHBondContact O-N 2.84Å; L954-L957 WeakPolarHBondContact O-CB 3.3Å; L954-L957 PolarHBondContact O-N 2.81Å; L955-L957 VanDerWaalsContact C-N 3.31Å; L955-L957 PolarHBondContact O-N 2.86Å; L957-S960 WeakPolarHBondContact O-CB 3.3Å; L957-S960 PolarHBondContact O-N 3.14Å; L957-C961 PolarHBondContact O-N 3.02Å; L957-C961 PolarHBondContact O-SG 2.88Å |
| 958 | M | 81.2 | Confident | 73 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -41 | 175 | -67.8 | -57.6 | 88.4 | 0 | 0 | 112.9 | L954 L955 S960 C961 E962 F970 V975 V978 K979 L982 | L954-M958 WeakPolarHBondContact O-CG 3.16Å; L954-M958 PolarHBondContact O-N 3.32Å; L955-M958 PolarHBondContact O-N 3.48Å; M958-S960 PolarHBondContact O-N 2.95Å; M958-C961 PolarHBondContact O-N 2.98Å; M958-C961 VanDerWaalsContact O-N 3.17Å; M958-E962 PolarHBondContact O-N 2.91Å; M958-F970 HydrophobicContact SD-CE1 4.18Å; M958-V975 HydrophobicContact CE-CG1 4.01Å; M958-V975 HydrophobicContact SD-CG1 4.21Å; M958-V978 HydrophobicContact CE-CB 3.72Å; M958-V978 HydrophobicContact CE-CG1 3.5Å; M958-V978 HydrophobicContact CG-CG1 4.34Å; M958-V978 HydrophobicContact SD-CB 4.19Å; M958-V978 HydrophobicContact SD-CG1 3.99Å; M958-K979 HydrophobicContact SD-CB 4.08Å; M958-L982 HydrophobicContact CB-CD1 4.25Å; M958-L982 HydrophobicContact CG-CD1 3.26Å; M958-L982 HydrophobicContact SD-CD1 4.44Å |
| 959 | E | 76 | Confident | 73.7 | Confident | 67 Ų | 67 | 45.2 Ų | 45.2 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.3 | -39.7 | 171.4 | -72 | 175.2 | -177.2 | 0 | 0 | 111.1 | L955 R956 E962 Q963 | L955-E959 WeakPolarHBondContact O-CG 3.43Å; L955-E959 PolarHBondContact O-N 3.39Å; R956-E959 VanDerWaalsContact CD-OE2 3.23Å; R956-E959 WeakPolarHBondContact CD-OE2 3.31Å; R956-E959 IonicContact CZ-OE2 2.58Å; R956-E959 IonicContact NE-OE2 2.7Å; R956-E959 IonicContact NH1-OE2 3.54Å; R956-E959 PolarHBondContact NH1-OE2 3.28Å; E959-E962 PolarHBondContact O-N 3.16Å; E959-Q963 VanDerWaalsContact O-CG 3.3Å; E959-Q963 WeakPolarHBondContact O-CG 3.39Å; E959-Q963 PolarHBondContact O-N 3.3Å; E959-Q963 VanDerWaalsContact O-N 3.09Å |
| 960 | S | 74.5 | Confident | 74.2 | Confident | 11 Ų | 11 | 47 Ų | 47 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -36.5 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | R956 L957 M958 | R956-S960 WeakPolarHBondContact O-CB 3.44Å; R956-S960 PolarHBondContact O-N 2.96Å; R956-S960 PolarHBondContact O-OG 3.2Å; L957-S960 WeakPolarHBondContact O-CB 3.3Å; L957-S960 PolarHBondContact O-N 3.14Å; M958-S960 PolarHBondContact O-N 2.95Å |
| 961 | C | 79.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.3 | -35.4 | 173.9 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | L957 M958 L969 F970 V975 | L957-C961 PolarHBondContact O-N 3.02Å; L957-C961 PolarHBondContact O-SG 2.88Å; M958-C961 PolarHBondContact O-N 2.98Å; M958-C961 VanDerWaalsContact O-N 3.17Å; C961-L969 HydrophobicContact CB-CB 4.3Å; C961-L969 HydrophobicContact CB-CD1 4.35Å; C961-F970 HydrophobicContact CB-CE1 4.44Å; C961-F970 HydrophobicContact CB-CZ 4.4Å; C961-V975 HydrophobicContact CB-CG1 4.21Å |
| 962 | E | 76.5 | Confident | 74.9 | Confident | 124 Ų | 124 | 43.6 Ų | 43.6 | 58% | 0.579 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -68 | -35.9 | 177 | -165.4 | 169.5 | -167.2 | 0 | 0 | 112.8 | M958 E959 L964 H965 F970 | M958-E962 PolarHBondContact O-N 2.91Å; E959-E962 PolarHBondContact O-N 3.16Å; E962-L964 PolarHBondContact O-N 3.18Å; E962-H965 WeakPolarHBondContact O-CB 3.48Å; E962-H965 PolarHBondContact O-N 3.08Å; E962-F970 HydrophobicContact CB-CE2 3.79Å; E962-F970 HydrophobicContact CB-CZ 3.79Å; E962-F970 HydrophobicContact CG-CE2 4.02Å; E962-F970 HydrophobicContact CG-CZ 4.3Å |
| 963 | Q | 71.1 | Confident | 75.2 | Confident | 81 Ų | 81 | 40.6 Ų | 40.6 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -15 | -179.1 | -78.2 | 174.9 | 14.9 | 0 | 0 | 115.1 | V938 E959 H965 | V938-Q963 VanDerWaalsContact N-OE1 3.14Å; E959-Q963 VanDerWaalsContact O-CG 3.3Å; E959-Q963 WeakPolarHBondContact O-CG 3.39Å; E959-Q963 PolarHBondContact O-N 3.3Å; E959-Q963 VanDerWaalsContact O-N 3.09Å; Q963-H965 VanDerWaalsContact C-N 3.32Å |
| 964 | L | 69.7 | Low | 75.4 | Confident | 23 Ų | 23 | 41.3 Ų | 41.3 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.5 | 176.7 | -72.1 | 172.1 | 0 | 0 | 0 | 113.3 | I861 R864 L868 E962 L967 L969 | I861-L964 HydrophobicContact CG2-CD2 4.46Å; R864-L964 HydrophobicContact CB-CD1 4.36Å; R864-L964 HydrophobicContact CB-CD2 4.41Å; L868-L964 HydrophobicContact CD1-CD1 3.57Å; E962-L964 PolarHBondContact O-N 3.18Å; L964-L967 HydrophobicContact CB-CB 4.36Å; L964-L967 WeakPolarHBondContact O-CA 3.4Å; L964-L967 WeakPolarHBondContact O-CB 3.45Å; L964-L967 PolarHBondContact O-N 3.07Å; L964-L969 HydrophobicContact CB-CD1 4.07Å; L964-L969 HydrophobicContact CD1-CD1 3.43Å; L964-L969 VanDerWaalsContact CD1-CD1 3.43Å; L964-L969 HydrophobicContact CG-CD1 4.35Å |
| 965 | H | 63.5 | Low | 75.6 | Confident | 112 Ų | 112 | 41.3 Ų | 41.3 | 52% | 0.519 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.5 | 172.3 | -169.9 | 55 | 0 | 0 | 0 | 110.6 | E962 Q963 | E962-H965 WeakPolarHBondContact O-CB 3.48Å; E962-H965 PolarHBondContact O-N 3.08Å; Q963-H965 VanDerWaalsContact C-N 3.32Å |
| 966 | P | 63.6 | Low | 75.7 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -83.6 | -2.9 | 23.4 | -15 | 33.6 | 0 | 0 | 0 | 118.4 | V792 I793 P796 T831 M832 N968 | V792-P966 WeakPolarHBondContact O-CG 3.4Å; I793-P966 HydrophobicContact CG1-CB 4.48Å; I793-P966 WeakPolarHBondContact O-CD 3.3Å; P796-P966 HydrophobicContact CB-CG 4.15Å; T831-P966 WeakPolarHBondContact CA-O 3.03Å; M832-P966 PolarHBondContact N-O 3.44Å; P966-N968 PolarHBondContact O-N 3.44Å |
| 967 | L | 72 | Confident | 75.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 106.4 | 172.6 | -170 | 73.4 | 0 | 0 | 0 | 108.5 | M832 L834 L837 I861 L964 L969 | M832-L967 CarbonylContact O-C 3.5Å; M832-L967 WeakPolarHBondContact O-CA 3.49Å; L834-L967 HydrophobicContact CD1-CD2 3.97Å; L837-L967 HydrophobicContact CB-CD1 4.05Å; L837-L967 HydrophobicContact CD2-CD1 3.75Å; L837-L967 HydrophobicContact CD2-CD2 4.49Å; I861-L967 HydrophobicContact CG2-CB 4.49Å; I861-L967 HydrophobicContact CG2-CD2 3.96Å; L964-L967 HydrophobicContact CB-CB 4.36Å; L964-L967 WeakPolarHBondContact O-CA 3.4Å; L964-L967 WeakPolarHBondContact O-CB 3.45Å; L964-L967 PolarHBondContact O-N 3.07Å; L967-L969 HydrophobicContact CD2-CD2 4.27Å; L967-L969 HydrophobicContact CD2-CG 4.24Å; L967-L969 HydrophobicContact CG-CG 4.47Å; L967-L969 PolarHBondContact O-N 3.37Å |
| 968 | N | 75 | Confident | 75.9 | Confident | 28 Ų | 28 | 40.3 Ų | 40.3 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | trans | -81.7 | 74.5 | -175 | -170.1 | 4.5 | 0 | 0 | 0 | 110.8 | T831 M832 P966 F970 E971 | T831-N968 HydrophobicContact CG2-CB 4.04Å; M832-N968 PolarHBondContact O-N 3.22Å; P966-N968 PolarHBondContact O-N 3.44Å; N968-F970 PolarHBondContact O-N 2.72Å; N968-F970 WeakPolarHBondContact OD1-CA 3.38Å; N968-F970 VanDerWaalsContact OD1-CB 3.32Å; N968-F970 WeakPolarHBondContact OD1-CB 3.48Å; N968-F970 PolarHBondContact OD1-N 2.89Å; N968-F970 VanDerWaalsContact OD1-N 3.17Å; N968-E971 VanDerWaalsContact ND2-CG 3.35Å; N968-E971 WeakPolarHBondContact ND2-CG 3.21Å; N968-E971 PolarHBondContact ND2-OE1 2.83Å; N968-E971 PolarHBondContact O-N 3.5Å; N968-E971 VanDerWaalsContact O-N 3.13Å; N968-E971 PolarHBondContact OD1-N 2.07Å | ||
| 969 | L | 79.3 | Confident | 75.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -60.4 | -21.9 | 170.3 | -73.2 | 174.7 | 0 | 0 | 0 | 112.2 | L834 L868 C961 L964 L967 E971 D972 V975 | L834-L969 HydrophobicContact CD1-CD2 4.27Å; L868-L969 HydrophobicContact CB-CD1 4.43Å; L868-L969 HydrophobicContact CD1-CD1 3.95Å; C961-L969 HydrophobicContact CB-CB 4.3Å; C961-L969 HydrophobicContact CB-CD1 4.35Å; L964-L969 HydrophobicContact CB-CD1 4.07Å; L964-L969 HydrophobicContact CD1-CD1 3.43Å; L964-L969 VanDerWaalsContact CD1-CD1 3.43Å; L964-L969 HydrophobicContact CG-CD1 4.35Å; L967-L969 HydrophobicContact CD2-CD2 4.27Å; L967-L969 HydrophobicContact CD2-CG 4.24Å; L967-L969 HydrophobicContact CG-CG 4.47Å; L967-L969 PolarHBondContact O-N 3.37Å; L969-E971 PolarHBondContact O-N 3.46Å; L969-D972 VanDerWaalsContact O-CB 3.27Å; L969-D972 WeakPolarHBondContact O-CB 3.34Å; L969-D972 PolarHBondContact O-N 3.01Å; L969-D972 VanDerWaalsContact O-N 3.07Å; L969-V975 HydrophobicContact CB-CG2 4.45Å; L969-V975 WeakPolarHBondContact O-CB 3.49Å; L969-V975 VanDerWaalsContact O-CG2 3.31Å; L969-V975 WeakPolarHBondContact O-CG2 3.33Å |
| 970 | F | 80.3 | Confident | 76 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -70.7 | -10.6 | 176.4 | -66.1 | -72.1 | 0 | 0 | 0 | 113.5 | M958 C961 E962 N968 D972 V975 Q976 K979 | M958-F970 HydrophobicContact SD-CE1 4.18Å; C961-F970 HydrophobicContact CB-CE1 4.44Å; C961-F970 HydrophobicContact CB-CZ 4.4Å; E962-F970 HydrophobicContact CB-CE2 3.79Å; E962-F970 HydrophobicContact CB-CZ 3.79Å; E962-F970 HydrophobicContact CG-CE2 4.02Å; E962-F970 HydrophobicContact CG-CZ 4.3Å; N968-F970 PolarHBondContact O-N 2.72Å; N968-F970 WeakPolarHBondContact OD1-CA 3.38Å; N968-F970 VanDerWaalsContact OD1-CB 3.32Å; N968-F970 WeakPolarHBondContact OD1-CB 3.48Å; N968-F970 PolarHBondContact OD1-N 2.89Å; N968-F970 VanDerWaalsContact OD1-N 3.17Å; F970-D972 VanDerWaalsContact C-N 3.34Å; F970-V975 HydrophobicContact CD1-CG1 3.83Å; F970-V975 HydrophobicContact CE1-CG1 4.34Å; F970-Q976 VanDerWaalsContact O-CD 3.24Å; F970-Q976 WeakPolarHBondContact O-CG 3.44Å; F970-Q976 PolarHBondContact O-NE2 3.37Å; F970-K979 HydrophobicContact CD1-CD 3.89Å; F970-K979 HydrophobicContact CE1-CD 4.29Å |
| 971 | E | 76.1 | Confident | 76.1 | Confident | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -80.6 | -17.5 | 168.3 | -84.8 | 171.6 | -155.9 | 0 | 0 | 112.8 | T833 N968 L969 | T833-E971 VanDerWaalsContact CG2-OE2 3.24Å; T833-E971 WeakPolarHBondContact CG2-OE2 3.48Å; N968-E971 VanDerWaalsContact ND2-CG 3.35Å; N968-E971 WeakPolarHBondContact ND2-CG 3.21Å; N968-E971 PolarHBondContact ND2-OE1 2.83Å; N968-E971 PolarHBondContact O-N 3.5Å; N968-E971 VanDerWaalsContact O-N 3.13Å; N968-E971 PolarHBondContact OD1-N 2.07Å; L969-E971 PolarHBondContact O-N 3.46Å |
| 972 | D | 79.4 | Confident | 76 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -65 | 130.4 | 179 | -174.4 | -86 | 0 | 0 | 0 | 111.2 | Q869 L969 F970 S974 V975 Q976 | Q869-D972 PolarHBondContact NE2-OD2 2.76Å; L969-D972 VanDerWaalsContact O-CB 3.27Å; L969-D972 WeakPolarHBondContact O-CB 3.34Å; L969-D972 PolarHBondContact O-N 3.01Å; L969-D972 VanDerWaalsContact O-N 3.07Å; F970-D972 VanDerWaalsContact C-N 3.34Å; D972-S974 PolarHBondContact O-N 3.26Å; D972-S974 VanDerWaalsContact O-N 3.13Å; D972-S974 WeakPolarHBondContact OD1-CA 3.36Å; D972-S974 WeakPolarHBondContact OD1-CB 3.21Å; D972-S974 PolarHBondContact OD1-N 3.4Å; D972-S974 PolarHBondContact OD1-OG 2.78Å; D972-V975 HydrophobicContact CB-CB 4.27Å; D972-V975 HydrophobicContact CB-CG2 3.98Å; D972-V975 PolarHBondContact O-N 3.5Å; D972-V975 VanDerWaalsContact O-N 3.09Å; D972-V975 PolarHBondContact OD1-N 2.84Å; D972-Q976 PolarHBondContact O-N 3.49Å |
| 973 | P | 78.2 | Confident | 76 | Confident | 61 Ų | 61 | 44 Ų | 44 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.1 | -33.6 | -179.8 | -27.6 | 34.5 | 0 | 0 | 0 | 113.9 | I977 | P973-I977 WeakPolarHBondContact O-CD1 3.33Å; P973-I977 WeakPolarHBondContact O-CG1 3.11Å; P973-I977 PolarHBondContact O-N 2.97Å; P973-I977 VanDerWaalsContact O-N 3.09Å |
| 974 | S | 77.2 | Confident | 76 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 12% | 0.119 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73 | -37.6 | -179.2 | -40.4 | 0 | 0 | 0 | 0 | 111.6 | V873 D972 V978 | V873-S974 VanDerWaalsContact CG2-OG 3.28Å; V873-S974 WeakPolarHBondContact CG2-OG 3.44Å; D972-S974 PolarHBondContact O-N 3.26Å; D972-S974 VanDerWaalsContact O-N 3.13Å; D972-S974 WeakPolarHBondContact OD1-CA 3.36Å; D972-S974 WeakPolarHBondContact OD1-CB 3.21Å; D972-S974 PolarHBondContact OD1-N 3.4Å; D972-S974 PolarHBondContact OD1-OG 2.78Å; S974-V978 PolarHBondContact O-N 3.47Å |
| 975 | V | 82.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.3 | -40.6 | 176 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | C872 M958 C961 L969 F970 D972 I977 V978 K979 | C872-V975 HydrophobicContact CB-CG2 4.36Å; M958-V975 HydrophobicContact CE-CG1 4.01Å; M958-V975 HydrophobicContact SD-CG1 4.21Å; C961-V975 HydrophobicContact CB-CG1 4.21Å; L969-V975 HydrophobicContact CB-CG2 4.45Å; L969-V975 WeakPolarHBondContact O-CB 3.49Å; L969-V975 VanDerWaalsContact O-CG2 3.31Å; L969-V975 WeakPolarHBondContact O-CG2 3.33Å; F970-V975 HydrophobicContact CD1-CG1 3.83Å; F970-V975 HydrophobicContact CE1-CG1 4.34Å; D972-V975 HydrophobicContact CB-CB 4.27Å; D972-V975 HydrophobicContact CB-CG2 3.98Å; D972-V975 PolarHBondContact O-N 3.5Å; D972-V975 VanDerWaalsContact O-N 3.09Å; D972-V975 PolarHBondContact OD1-N 2.84Å; V975-I977 VanDerWaalsContact C-N 3.27Å; V975-I977 PolarHBondContact O-N 3.49Å; V975-V978 PolarHBondContact O-N 2.58Å; V975-V978 VanDerWaalsContact O-N 3.13Å; V975-K979 WeakPolarHBondContact O-CB 3.4Å; V975-K979 PolarHBondContact O-N 2.86Å |
| 976 | Q | 80.3 | Confident | 76.6 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58 | -38.4 | 173.4 | -79.4 | -74.1 | -8.6 | 0 | 0 | 112.4 | F970 D972 K979 R980 | F970-Q976 VanDerWaalsContact O-CD 3.24Å; F970-Q976 WeakPolarHBondContact O-CG 3.44Å; F970-Q976 PolarHBondContact O-NE2 3.37Å; D972-Q976 PolarHBondContact O-N 3.49Å; Q976-K979 PolarHBondContact O-N 3.35Å; Q976-R980 WeakPolarHBondContact O-CB 3.44Å; Q976-R980 PolarHBondContact O-N 3.43Å |
| 977 | I | 77.3 | Confident | 77 | Confident | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.205 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.9 | -48 | 174.2 | -76.6 | 162.6 | 0 | 0 | 0 | 111.1 | K876 I880 P973 V975 R980 L981 | K876-I977 HydrophobicContact CD-CD1 3.93Å; K876-I977 HydrophobicContact CG-CD1 4.32Å; I880-I977 HydrophobicContact CD1-CD1 4.47Å; I880-I977 HydrophobicContact CD1-CG1 4.4Å; I880-I977 HydrophobicContact CD1-CG2 3.65Å; I880-I977 HydrophobicContact CG1-CG2 4.33Å; P973-I977 WeakPolarHBondContact O-CD1 3.33Å; P973-I977 WeakPolarHBondContact O-CG1 3.11Å; P973-I977 PolarHBondContact O-N 2.97Å; P973-I977 VanDerWaalsContact O-N 3.09Å; V975-I977 VanDerWaalsContact C-N 3.27Å; V975-I977 PolarHBondContact O-N 3.49Å; I977-R980 PolarHBondContact O-N 3.45Å; I977-L981 PolarHBondContact O-N 2.88Å |
| 978 | V | 80.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 179.8 | -179 | 0 | 0 | 0 | 0 | 111.3 | C872 I879 L954 M958 S974 V975 R980 L981 L982 | C872-V978 HydrophobicContact CB-CG2 4.38Å; I879-V978 HydrophobicContact CD1-CG2 4.17Å; L954-V978 HydrophobicContact CB-CG1 4.41Å; L954-V978 HydrophobicContact CD2-CG1 4.03Å; M958-V978 HydrophobicContact CE-CB 3.72Å; M958-V978 HydrophobicContact CE-CG1 3.5Å; M958-V978 HydrophobicContact CG-CG1 4.34Å; M958-V978 HydrophobicContact SD-CB 4.19Å; M958-V978 HydrophobicContact SD-CG1 3.99Å; S974-V978 PolarHBondContact O-N 3.47Å; V975-V978 PolarHBondContact O-N 2.58Å; V975-V978 VanDerWaalsContact O-N 3.13Å; V978-R980 PolarHBondContact O-N 3.17Å; V978-L981 WeakPolarHBondContact O-CB 3.05Å; V978-L981 PolarHBondContact O-N 3.35Å; V978-L982 HydrophobicContact CG1-CD1 4.33Å; V978-L982 PolarHBondContact O-N 3.3Å |
| 979 | K | 81.8 | Confident | 77 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.1 | -175.1 | 177.5 | -176.9 | 172 | 0 | 111.8 | M958 F970 V975 Q976 L982 S983 | M958-K979 HydrophobicContact SD-CB 4.08Å; F970-K979 HydrophobicContact CD1-CD 3.89Å; F970-K979 HydrophobicContact CE1-CD 4.29Å; V975-K979 WeakPolarHBondContact O-CB 3.4Å; V975-K979 PolarHBondContact O-N 2.86Å; Q976-K979 PolarHBondContact O-N 3.35Å; K979-L982 PolarHBondContact O-N 3.03Å; K979-S983 PolarHBondContact O-N 2.98Å |
| 980 | R | 77.3 | Confident | 76.6 | Confident | 118 Ų | 118 | 51.8 Ų | 51.8 | 45% | 0.445 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.6 | -175 | 179.2 | 177 | -176.5 | -0.3 | 110.8 | Q976 I977 V978 L982 S983 Q984 | Q976-R980 WeakPolarHBondContact O-CB 3.44Å; Q976-R980 PolarHBondContact O-N 3.43Å; I977-R980 PolarHBondContact O-N 3.45Å; V978-R980 PolarHBondContact O-N 3.17Å; R980-L982 PolarHBondContact O-N 2.96Å; R980-S983 PolarHBondContact O-N 2.79Å; R980-S983 PolarHBondContact O-OG 3.26Å; R980-Q984 HydrophobicContact CG-CG 4.43Å; R980-Q984 WeakPolarHBondContact O-CG 3.48Å; R980-Q984 PolarHBondContact O-N 3.01Å |
| 981 | L | 76.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.7 | -51.2 | 173.5 | 175.2 | 74.2 | 0 | 0 | 0 | 111.2 | I879 L954 I977 V978 S983 Q984 L985 F1059 | I879-L981 HydrophobicContact CB-CD2 4.25Å; I879-L981 HydrophobicContact CD1-CD2 3.73Å; I879-L981 HydrophobicContact CG1-CD2 3.75Å; I879-L981 HydrophobicContact CG2-CB 4.12Å; I879-L981 HydrophobicContact CG2-CD1 3.69Å; I879-L981 HydrophobicContact CG2-CD2 3.52Å; I879-L981 HydrophobicContact CG2-CG 3.94Å; L954-L981 HydrophobicContact CD1-CD2 3.53Å; I977-L981 PolarHBondContact O-N 2.88Å; V978-L981 WeakPolarHBondContact O-CB 3.05Å; V978-L981 PolarHBondContact O-N 3.35Å; L981-S983 VanDerWaalsContact C-N 3.3Å; L981-S983 PolarHBondContact O-N 3.42Å; L981-Q984 CarbonylContact O-C 3.53Å; L981-Q984 PolarHBondContact O-N 3.01Å; L981-Q984 VanDerWaalsContact O-N 3.13Å; L981-L985 HydrophobicContact CD1-CD1 4.21Å; L981-L985 HydrophobicContact CD1-CG 4.22Å; L981-L985 HydrophobicContact CD2-CD1 4.21Å; L981-L985 HydrophobicContact CG-CD1 3.84Å; L981-L985 HydrophobicContact CG-CG 4.24Å; L981-L985 WeakPolarHBondContact O-CB 3.39Å; L981-L985 WeakPolarHBondContact O-CG 3.14Å; L981-L985 PolarHBondContact O-N 3.01Å; L981-F1059 HydrophobicContact CD1-CD1 3.59Å; L981-F1059 HydrophobicContact CD1-CE1 3.41Å; L981-F1059 VanDerWaalsContact CD1-CE1 3.41Å; L981-F1059 HydrophobicContact CD1-CZ 4.36Å |
| 982 | L | 78.1 | Confident | 76 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | -179.9 | -77 | 165.5 | 0 | 0 | 0 | 112.6 | E951 L954 L955 M958 V978 K979 R980 Q984 L985 T986 | E951-L982 HydrophobicContact CG-CD2 4.34Å; L954-L982 HydrophobicContact CB-CD1 4.22Å; L954-L982 HydrophobicContact CB-CD2 4.03Å; L954-L982 HydrophobicContact CB-CG 4.29Å; L955-L982 HydrophobicContact CD2-CD1 4.28Å; L955-L982 HydrophobicContact CD2-CD2 3.84Å; L955-L982 HydrophobicContact CG-CD2 3.93Å; M958-L982 HydrophobicContact CB-CD1 4.25Å; M958-L982 HydrophobicContact CG-CD1 3.26Å; M958-L982 HydrophobicContact SD-CD1 4.44Å; V978-L982 HydrophobicContact CG1-CD1 4.33Å; V978-L982 PolarHBondContact O-N 3.3Å; K979-L982 PolarHBondContact O-N 3.03Å; R980-L982 PolarHBondContact O-N 2.96Å; L982-Q984 VanDerWaalsContact C-N 3.35Å; L982-L985 PolarHBondContact O-N 3.32Å; L982-T986 WeakPolarHBondContact O-CB 3.12Å; L982-T986 PolarHBondContact O-N 3.01Å; L982-T986 PolarHBondContact O-OG1 3.47Å |
| 983 | S | 76.5 | Confident | 75.7 | Confident | 67 Ų | 67 | 50.1 Ų | 50.1 | 47% | 0.469 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.5 | 76.6 | 0 | 0 | 0 | 0 | 112.3 | K979 R980 L981 T986 R987 | K979-S983 PolarHBondContact O-N 2.98Å; R980-S983 PolarHBondContact O-N 2.79Å; R980-S983 PolarHBondContact O-OG 3.26Å; L981-S983 VanDerWaalsContact C-N 3.3Å; L981-S983 PolarHBondContact O-N 3.42Å; S983-T986 PolarHBondContact O-N 3.5Å; S983-R987 PolarHBondContact O-N 3.06Å |
| 984 | Q | 70.9 | Confident | 75.5 | Confident | 44 Ų | 44 | 49.2 Ų | 49.2 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.7 | -37 | 178.3 | -67.7 | 172.6 | -58.4 | 0 | 0 | 111.7 | R980 L981 L982 T986 R987 W988 F1059 | R980-Q984 HydrophobicContact CG-CG 4.43Å; R980-Q984 WeakPolarHBondContact O-CG 3.48Å; R980-Q984 PolarHBondContact O-N 3.01Å; L981-Q984 CarbonylContact O-C 3.53Å; L981-Q984 PolarHBondContact O-N 3.01Å; L981-Q984 VanDerWaalsContact O-N 3.13Å; L982-Q984 VanDerWaalsContact C-N 3.35Å; Q984-T986 VanDerWaalsContact C-N 3.33Å; Q984-T986 PolarHBondContact O-N 2.94Å; Q984-R987 PolarHBondContact O-N 3.41Å; Q984-W988 WeakPolarHBondContact O-CB 3.37Å; Q984-W988 PolarHBondContact O-N 2.78Å; Q984-F1059 HydrophobicContact CB-CE1 4.31Å; Q984-F1059 HydrophobicContact CB-CE2 4Å; Q984-F1059 HydrophobicContact CB-CZ 3.35Å; Q984-F1059 VanDerWaalsContact CD-CZ 3.49Å; Q984-F1059 HydrophobicContact CG-CZ 4Å; Q984-F1059 VanDerWaalsContact OE1-CZ 3.3Å |
| 985 | L | 73.1 | Confident | 75.5 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 171.1 | -74.7 | 172.4 | 0 | 0 | 0 | 111.4 | E951 L981 L982 W988 H989 Y1062 V1066 | E951-L985 HydrophobicContact CG-CD1 4.47Å; L981-L985 HydrophobicContact CD1-CD1 4.21Å; L981-L985 HydrophobicContact CD1-CG 4.22Å; L981-L985 HydrophobicContact CD2-CD1 4.21Å; L981-L985 HydrophobicContact CG-CD1 3.84Å; L981-L985 HydrophobicContact CG-CG 4.24Å; L981-L985 WeakPolarHBondContact O-CB 3.39Å; L981-L985 WeakPolarHBondContact O-CG 3.14Å; L981-L985 PolarHBondContact O-N 3.01Å; L982-L985 PolarHBondContact O-N 3.32Å; L985-W988 WeakPolarHBondContact O-CB 3.2Å; L985-W988 PolarHBondContact O-N 3.24Å; L985-H989 WeakPolarHBondContact O-CB 3.5Å; L985-H989 PolarHBondContact O-CD2 3.45Å; L985-H989 PolarHBondContact O-N 3.22Å; L985-Y1062 HydrophobicContact CD1-CE1 3.69Å; L985-Y1062 HydrophobicContact CD2-CD1 3.99Å; L985-Y1062 HydrophobicContact CD2-CE1 3.65Å; L985-Y1062 HydrophobicContact CG-CE1 4.28Å; L985-V1066 HydrophobicContact CD2-CG2 4.38Å |
| 986 | T | 72.7 | Confident | 75.2 | Confident | 89 Ų | 89 | 48.5 Ų | 48.5 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.1 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | L982 S983 Q984 W988 H989 Q990 | L982-T986 WeakPolarHBondContact O-CB 3.12Å; L982-T986 PolarHBondContact O-N 3.01Å; L982-T986 PolarHBondContact O-OG1 3.47Å; S983-T986 PolarHBondContact O-N 3.5Å; Q984-T986 VanDerWaalsContact C-N 3.33Å; Q984-T986 PolarHBondContact O-N 2.94Å; T986-W988 VanDerWaalsContact C-N 3.27Å; T986-W988 PolarHBondContact O-N 3.36Å; T986-H989 PolarHBondContact O-N 3.32Å; T986-Q990 PolarHBondContact O-N 3.3Å; T986-Q990 VanDerWaalsContact O-N 3.08Å |
| 987 | R | 73.3 | Confident | 74.8 | Confident | 167 Ų | 167 | 47.6 Ų | 47.6 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -38.2 | 174.6 | -178.2 | 178.9 | 173.1 | -178 | -4.3 | 111.5 | S983 Q984 Q990 S991 | S983-R987 PolarHBondContact O-N 3.06Å; Q984-R987 PolarHBondContact O-N 3.41Å; R987-Q990 PolarHBondContact O-N 3.5Å; R987-S991 WeakPolarHBondContact O-CB 3.49Å; R987-S991 PolarHBondContact O-N 2.91Å; R987-S991 PolarHBondContact O-OG 3.49Å |
| 988 | W | 73 | Confident | 74.8 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.038 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -49.8 | 177.2 | 172.2 | 60.9 | 0 | 0 | 0 | 112.1 | Q984 L985 T986 Q990 S991 A992 F1051 L1055 V1066 E1068 W1069 | Q984-W988 WeakPolarHBondContact O-CB 3.37Å; Q984-W988 PolarHBondContact O-N 2.78Å; L985-W988 WeakPolarHBondContact O-CB 3.2Å; L985-W988 PolarHBondContact O-N 3.24Å; T986-W988 VanDerWaalsContact C-N 3.27Å; T986-W988 PolarHBondContact O-N 3.36Å; W988-Q990 PolarHBondContact O-N 3.48Å; W988-S991 CarbonylContact O-C 3.5Å; W988-S991 PolarHBondContact O-N 2.9Å; W988-A992 WeakPolarHBondContact O-CB 3.47Å; W988-A992 PolarHBondContact O-N 3.47Å; W988-F1051 AromaticContact CD1-CZ 3.59Å; W988-F1051 AromaticContact NE1-CE1 3.88Å; W988-F1051 AromaticContact NE1-CZ 3.51Å; W988-L1055 HydrophobicContact CB-CD2 4.39Å; W988-L1055 HydrophobicContact CD2-CD2 4.22Å; W988-L1055 HydrophobicContact CG-CD1 4.42Å; W988-L1055 HydrophobicContact CG-CD2 3.64Å; W988-L1055 HydrophobicContact CG-CG 4.47Å; W988-V1066 HydrophobicContact CE3-CB 4.47Å; W988-V1066 HydrophobicContact CE3-CG1 3.74Å; W988-V1066 HydrophobicContact CH2-CB 3.29Å; W988-V1066 HydrophobicContact CH2-CG1 3.15Å; W988-V1066 HydrophobicContact CH2-CG2 4.25Å; W988-V1066 HydrophobicContact CZ2-CB 4.05Å; W988-V1066 HydrophobicContact CZ2-CG1 4.24Å; W988-V1066 HydrophobicContact CZ3-CB 3.64Å; W988-V1066 HydrophobicContact CZ3-CG1 2.91Å; W988-V1066 HydrophobicContact CZ3-CG2 4.43Å; W988-E1068 HydrophobicContact CH2-CB 3.48Å; W988-E1068 VanDerWaalsContact CH2-CB 3.48Å; W988-E1068 HydrophobicContact CH2-CG 4.11Å; W988-E1068 VanDerWaalsContact CH2-OE2 3.25Å; W988-E1068 WeakPolarHBondContact CH2-OE2 3.38Å; W988-E1068 HydrophobicContact CZ2-CB 3.86Å; W988-E1068 HydrophobicContact CZ3-CB 4.26Å; W988-E1068 HydrophobicContact CZ3-CG 4.43Å; W988-E1068 VanDerWaalsContact CZ3-OE2 3.3Å; W988-E1068 WeakPolarHBondContact CZ3-OE2 3.35Å; W988-W1069 HydrophobicContact CZ2-CB 4.2Å |
| 989 | H | 73 | Confident | 74.7 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.7 | -41 | 174.5 | -80.5 | -58.8 | 0 | 0 | 0 | 111.6 | E951 L985 T986 R993 E1068 | E951-H989 IonicContact OE1-CD2 2.99Å; E951-H989 IonicContact OE1-NE2 3.16Å; E951-H989 PolarHBondContact OE1-NE2 2.84Å; E951-H989 IonicContact OE2-CD2 3.3Å; E951-H989 IonicContact OE2-CE1 3.48Å; E951-H989 IonicContact OE2-NE2 3.6Å; E951-H989 PolarHBondContact OE2-NE2 3.5Å; L985-H989 WeakPolarHBondContact O-CB 3.5Å; L985-H989 PolarHBondContact O-CD2 3.45Å; L985-H989 PolarHBondContact O-N 3.22Å; T986-H989 PolarHBondContact O-N 3.32Å; H989-R993 WeakPolarHBondContact O-CG 3.37Å; H989-R993 PolarHBondContact O-N 3.24Å; H989-E1068 IonicContact CE1-OE1 2.8Å; H989-E1068 PolarHBondContact CE1-OE1 2.84Å; H989-E1068 IonicContact CE1-OE2 3.9Å; H989-E1068 IonicContact ND1-OE1 3.48Å; H989-E1068 PolarHBondContact ND1-OE1 2.95Å; H989-E1068 IonicContact ND1-OE2 2.67Å |
| 990 | Q | 71.6 | Confident | 74.3 | Confident | 84 Ų | 84 | 41.6 Ų | 41.6 | 39% | 0.393 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.6 | -48.8 | 175.2 | -173.1 | 53.4 | 45 | 0 | 0 | 111.9 | T986 R987 W988 A992 R993 D994 | T986-Q990 PolarHBondContact O-N 3.3Å; T986-Q990 VanDerWaalsContact O-N 3.08Å; R987-Q990 PolarHBondContact O-N 3.5Å; W988-Q990 PolarHBondContact O-N 3.48Å; Q990-A992 VanDerWaalsContact C-N 3.31Å; Q990-A992 PolarHBondContact O-N 3.45Å; Q990-R993 WeakPolarHBondContact O-CB 3.36Å; Q990-R993 PolarHBondContact O-N 2.93Å; Q990-R993 VanDerWaalsContact O-N 3.14Å; Q990-D994 PolarHBondContact NE2-OD1 3.12Å; Q990-D994 VanDerWaalsContact NE2-OD1 3.13Å; Q990-D994 PolarHBondContact NE2-OD2 3.39Å; Q990-D994 VanDerWaalsContact O-CG 3.28Å; Q990-D994 PolarHBondContact O-N 3.39Å; Q990-D994 VanDerWaalsContact O-OD2 3.13Å |
| 991 | S | 72.1 | Confident | 74 | Confident | 18 Ų | 18 | 39.2 Ų | 39.2 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -36.8 | 179.4 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | R987 W988 D994 I995 | R987-S991 WeakPolarHBondContact O-CB 3.49Å; R987-S991 PolarHBondContact O-N 2.91Å; R987-S991 PolarHBondContact O-OG 3.49Å; W988-S991 CarbonylContact O-C 3.5Å; W988-S991 PolarHBondContact O-N 2.9Å; S991-D994 PolarHBondContact O-N 3.22Å; S991-I995 WeakPolarHBondContact O-CB 3.23Å; S991-I995 WeakPolarHBondContact O-CG1 3.3Å; S991-I995 PolarHBondContact O-N 3.14Å |
| 992 | A | 72.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W988 Q990 I995 I996 F1051 L1072 | W988-A992 WeakPolarHBondContact O-CB 3.47Å; W988-A992 PolarHBondContact O-N 3.47Å; Q990-A992 VanDerWaalsContact C-N 3.31Å; Q990-A992 PolarHBondContact O-N 3.45Å; A992-I995 PolarHBondContact O-N 2.87Å; A992-I996 WeakPolarHBondContact O-CB 3.46Å; A992-I996 WeakPolarHBondContact O-CD1 3.23Å; A992-I996 WeakPolarHBondContact O-CG1 3.41Å; A992-I996 PolarHBondContact O-N 3.47Å; A992-F1051 HydrophobicContact CB-CE1 4.32Å; A992-F1051 HydrophobicContact CB-CZ 3.99Å; A992-L1072 HydrophobicContact CB-CD1 4.22Å |
| 993 | R | 72.7 | Confident | 73.5 | Confident | 115 Ų | 115 | 39 Ų | 39 | 43% | 0.434 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.3 | -70.1 | 173.5 | -167.2 | 155 | 3.8 | 111.6 | H989 Q990 I995 I996 N997 M1159 | H989-R993 WeakPolarHBondContact O-CG 3.37Å; H989-R993 PolarHBondContact O-N 3.24Å; Q990-R993 WeakPolarHBondContact O-CB 3.36Å; Q990-R993 PolarHBondContact O-N 2.93Å; Q990-R993 VanDerWaalsContact O-N 3.14Å; R993-I995 VanDerWaalsContact C-N 3.31Å; R993-I995 PolarHBondContact O-N 3.09Å; R993-I996 PolarHBondContact O-N 2.64Å; R993-N997 WeakPolarHBondContact O-CB 3.34Å; R993-N997 PolarHBondContact O-N 3.41Å; R993-N997 PolarHBondContact O-ND2 3.31Å; R993-M1159 HydrophobicContact CG-CE 3.67Å; R993-M1159 HydrophobicContact CG-CG 4.26Å; R993-M1159 HydrophobicContact CG-SD 4.46Å |
| 994 | D | 73.8 | Confident | 72.9 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -37.3 | -178.1 | -63.3 | -30.3 | 0 | 0 | 0 | 111.1 | Q990 S991 N997 L998 I1024 | Q990-D994 PolarHBondContact NE2-OD1 3.12Å; Q990-D994 VanDerWaalsContact NE2-OD1 3.13Å; Q990-D994 PolarHBondContact NE2-OD2 3.39Å; Q990-D994 VanDerWaalsContact O-CG 3.28Å; Q990-D994 PolarHBondContact O-N 3.39Å; Q990-D994 VanDerWaalsContact O-OD2 3.13Å; S991-D994 PolarHBondContact O-N 3.22Å; D994-N997 PolarHBondContact O-N 3.05Å; D994-L998 WeakPolarHBondContact O-CB 3.43Å; D994-L998 PolarHBondContact O-N 3.13Å; D994-I1024 HydrophobicContact CB-CD1 4.2Å; D994-I1024 HydrophobicContact CB-CG1 3.62Å |
| 995 | I | 77.3 | Confident | 72.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -43.3 | 172.5 | -74.5 | 171.8 | 0 | 0 | 0 | 112.5 | S991 A992 R993 N997 L998 L999 I1024 L1048 F1051 | S991-I995 WeakPolarHBondContact O-CB 3.23Å; S991-I995 WeakPolarHBondContact O-CG1 3.3Å; S991-I995 PolarHBondContact O-N 3.14Å; A992-I995 PolarHBondContact O-N 2.87Å; R993-I995 VanDerWaalsContact C-N 3.31Å; R993-I995 PolarHBondContact O-N 3.09Å; I995-N997 PolarHBondContact O-N 2.77Å; I995-L998 PolarHBondContact O-N 3.12Å; I995-L999 HydrophobicContact CG2-CD1 3.65Å; I995-L999 HydrophobicContact CG2-CG 4.04Å; I995-L999 WeakPolarHBondContact O-CB 3.48Å; I995-L999 VanDerWaalsContact O-CG 3.23Å; I995-L999 WeakPolarHBondContact O-CG 3.46Å; I995-L999 PolarHBondContact O-N 3.48Å; I995-I1024 HydrophobicContact CD1-CG2 3.67Å; I995-I1024 HydrophobicContact CG1-CD1 3.98Å; I995-I1024 HydrophobicContact CG1-CG1 4.34Å; I995-I1024 HydrophobicContact CG1-CG2 3.49Å; I995-I1024 VanDerWaalsContact CG1-CG2 3.49Å; I995-L1048 HydrophobicContact CG2-CD1 4.5Å; I995-F1051 HydrophobicContact CD1-CB 3.35Å; I995-F1051 HydrophobicContact CD1-CD1 3.43Å; I995-F1051 VanDerWaalsContact CD1-CD1 3.43Å; I995-F1051 HydrophobicContact CD1-CD2 3.05Å; I995-F1051 HydrophobicContact CD1-CE1 3.85Å; I995-F1051 HydrophobicContact CD1-CE2 3.5Å; I995-F1051 VanDerWaalsContact CD1-CE2 3.5Å; I995-F1051 HydrophobicContact CD1-CG 2.97Å; I995-F1051 HydrophobicContact CD1-CZ 3.85Å; I995-F1051 HydrophobicContact CG1-CD2 4.49Å; I995-F1051 HydrophobicContact CG1-CG 4.46Å |
| 996 | I | 75.6 | Confident | 71.2 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 176.2 | -71.8 | 165.9 | 0 | 0 | 0 | 109.9 | A992 R993 L999 C1000 L1072 M1159 A1162 I1166 | A992-I996 WeakPolarHBondContact O-CB 3.46Å; A992-I996 WeakPolarHBondContact O-CD1 3.23Å; A992-I996 WeakPolarHBondContact O-CG1 3.41Å; A992-I996 PolarHBondContact O-N 3.47Å; R993-I996 PolarHBondContact O-N 2.64Å; I996-L999 PolarHBondContact O-N 2.92Å; I996-C1000 VanDerWaalsContact O-CB 3.28Å; I996-C1000 WeakPolarHBondContact O-CB 3.41Å; I996-C1000 PolarHBondContact O-N 3.07Å; I996-L1072 HydrophobicContact CD1-CD2 4.46Å; I996-L1072 HydrophobicContact CG1-CD2 3.99Å; I996-M1159 HydrophobicContact CD1-CG 3.56Å; I996-M1159 HydrophobicContact CD1-SD 3.82Å; I996-A1162 HydrophobicContact CG2-CB 3.61Å; I996-I1166 HydrophobicContact CG2-CD1 4.21Å |
| 997 | N | 72.8 | Confident | 70.2 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 174.8 | -73.1 | -33.6 | 0 | 0 | 0 | 112.3 | R993 D994 I995 C1000 N1001 | R993-N997 WeakPolarHBondContact O-CB 3.34Å; R993-N997 PolarHBondContact O-N 3.41Å; R993-N997 PolarHBondContact O-ND2 3.31Å; D994-N997 PolarHBondContact O-N 3.05Å; I995-N997 PolarHBondContact O-N 2.77Å; N997-C1000 WeakPolarHBondContact O-CB 3.5Å; N997-C1000 PolarHBondContact O-N 3.04Å; N997-N1001 PolarHBondContact O-N 2.77Å; N997-N1001 PolarHBondContact O-ND2 2.77Å; N997-N1001 VanDerWaalsContact O-ND2 3.12Å |
| 998 | L | 77.1 | Confident | 68.9 | Low | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.5 | 177.3 | 56.6 | 0 | 0 | 0 | 111.7 | D994 I995 N1001 L1002 F1015 L1021 I1024 I1047 | D994-L998 WeakPolarHBondContact O-CB 3.43Å; D994-L998 PolarHBondContact O-N 3.13Å; I995-L998 PolarHBondContact O-N 3.12Å; L998-N1001 PolarHBondContact O-N 2.82Å; L998-L1002 HydrophobicContact CD1-CD1 3.96Å; L998-L1002 HydrophobicContact CD1-CG 4.25Å; L998-L1002 HydrophobicContact CG-CD1 3.93Å; L998-L1002 WeakPolarHBondContact O-CB 3.26Å; L998-L1002 WeakPolarHBondContact O-CG 3.33Å; L998-L1002 PolarHBondContact O-N 3.21Å; L998-F1015 HydrophobicContact CD1-CE1 3.43Å; L998-F1015 VanDerWaalsContact CD1-CE1 3.43Å; L998-F1015 HydrophobicContact CD1-CZ 3.48Å; L998-F1015 VanDerWaalsContact CD1-CZ 3.48Å; L998-L1021 HydrophobicContact CD2-CD2 4.38Å; L998-I1024 HydrophobicContact CB-CD1 4.06Å; L998-I1024 HydrophobicContact CD2-CD1 3.47Å; L998-I1024 VanDerWaalsContact CD2-CD1 3.47Å; L998-I1024 HydrophobicContact CG-CD1 4.4Å; L998-I1047 HydrophobicContact CD2-CD1 3.83Å; L998-I1047 HydrophobicContact CD2-CG2 3.97Å; L998-I1047 HydrophobicContact CG-CD1 4.25Å |
| 999 | L | 77.2 | Confident | 67.5 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175.7 | -69.7 | 173 | 0 | 0 | 0 | 111.6 | I995 I996 N1001 L1002 I1003 A1044 L1048 L1075 I1166 | I995-L999 HydrophobicContact CG2-CD1 3.65Å; I995-L999 HydrophobicContact CG2-CG 4.04Å; I995-L999 WeakPolarHBondContact O-CB 3.48Å; I995-L999 VanDerWaalsContact O-CG 3.23Å; I995-L999 WeakPolarHBondContact O-CG 3.46Å; I995-L999 PolarHBondContact O-N 3.48Å; I996-L999 PolarHBondContact O-N 2.92Å; L999-N1001 VanDerWaalsContact C-N 3.33Å; L999-N1001 PolarHBondContact O-N 2.84Å; L999-L1002 PolarHBondContact O-N 3.22Å; L999-I1003 HydrophobicContact CB-CD1 4.38Å; L999-I1003 VanDerWaalsContact O-CB 3.24Å; L999-I1003 WeakPolarHBondContact O-CB 3.41Å; L999-I1003 VanDerWaalsContact O-CG1 3.24Å; L999-I1003 WeakPolarHBondContact O-CG1 3.15Å; L999-I1003 PolarHBondContact O-N 2.86Å; L999-A1044 HydrophobicContact CD2-CB 3.57Å; L999-L1048 HydrophobicContact CD1-CD1 4.24Å; L999-L1075 HydrophobicContact CD1-CD2 3.89Å; L999-I1166 HydrophobicContact CB-CD1 3.91Å |
| 1000 | C | 74.2 | Confident | 66 | Low | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.5 | -51.4 | 170.8 | -93.4 | 0 | 0 | 0 | 0 | 110 | I996 N997 L1002 I1003 L1004 I1166 | I996-C1000 VanDerWaalsContact O-CB 3.28Å; I996-C1000 WeakPolarHBondContact O-CB 3.41Å; I996-C1000 PolarHBondContact O-N 3.07Å; N997-C1000 WeakPolarHBondContact O-CB 3.5Å; N997-C1000 PolarHBondContact O-N 3.04Å; C1000-L1002 PolarHBondContact O-N 2.9Å; C1000-I1003 PolarHBondContact O-N 3.04Å; C1000-L1004 HydrophobicContact CB-CD1 4.07Å; C1000-L1004 WeakPolarHBondContact O-CB 3.48Å; C1000-L1004 WeakPolarHBondContact O-CD1 3.46Å; C1000-L1004 VanDerWaalsContact O-CG 3.3Å; C1000-L1004 WeakPolarHBondContact O-CG 3.2Å; C1000-L1004 PolarHBondContact O-N 2.8Å; C1000-I1166 HydrophobicContact CB-CD1 4.34Å; C1000-I1166 VanDerWaalsContact SG-CD1 3.52Å |
| 1001 | N | 71.1 | Confident | 64.5 | Low | 68 Ų | 68 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -39.4 | -179.1 | -71.1 | -37.3 | 0 | 0 | 0 | 112.8 | N997 L998 L999 T1005 F1015 | N997-N1001 PolarHBondContact O-N 2.77Å; N997-N1001 PolarHBondContact O-ND2 2.77Å; N997-N1001 VanDerWaalsContact O-ND2 3.12Å; L998-N1001 PolarHBondContact O-N 2.82Å; L999-N1001 VanDerWaalsContact C-N 3.33Å; L999-N1001 PolarHBondContact O-N 2.84Å; N1001-T1005 WeakPolarHBondContact O-CB 3.34Å; N1001-T1005 WeakPolarHBondContact O-CG2 2.88Å; N1001-T1005 PolarHBondContact O-N 3.26Å; N1001-T1005 PolarHBondContact O-OG1 2.86Å; N1001-F1015 HydrophobicContact CB-CD1 4.43Å; N1001-F1015 HydrophobicContact CB-CD2 4.07Å; N1001-F1015 HydrophobicContact CB-CE1 4.15Å; N1001-F1015 HydrophobicContact CB-CE2 3.78Å; N1001-F1015 HydrophobicContact CB-CG 4.39Å; N1001-F1015 HydrophobicContact CB-CZ 3.82Å; N1001-F1015 WeakPolarHBondContact ND2-CE2 3.03Å |
| 1002 | L | 72.2 | Confident | 62.7 | Low | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 177.8 | -73.4 | 165.5 | 0 | 0 | 0 | 113.2 | L998 L999 C1000 T1005 I1017 I1047 | L998-L1002 HydrophobicContact CD1-CD1 3.96Å; L998-L1002 HydrophobicContact CD1-CG 4.25Å; L998-L1002 HydrophobicContact CG-CD1 3.93Å; L998-L1002 WeakPolarHBondContact O-CB 3.26Å; L998-L1002 WeakPolarHBondContact O-CG 3.33Å; L998-L1002 PolarHBondContact O-N 3.21Å; L999-L1002 PolarHBondContact O-N 3.22Å; C1000-L1002 PolarHBondContact O-N 2.9Å; L1002-T1005 PolarHBondContact O-OG1 3.46Å; L1002-I1017 HydrophobicContact CD2-CD1 4.05Å; L1002-I1017 HydrophobicContact CD2-CG1 4.47Å; L1002-I1047 HydrophobicContact CD1-CD1 3.53Å |
| 1003 | I | 71.3 | Confident | 61.2 | Low | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -86.5 | -34.8 | -175.4 | -62.5 | 170.1 | 0 | 0 | 0 | 111.3 | L999 C1000 L1079 I1166 L1169 | L999-I1003 HydrophobicContact CB-CD1 4.38Å; L999-I1003 VanDerWaalsContact O-CB 3.24Å; L999-I1003 WeakPolarHBondContact O-CB 3.41Å; L999-I1003 VanDerWaalsContact O-CG1 3.24Å; L999-I1003 WeakPolarHBondContact O-CG1 3.15Å; L999-I1003 PolarHBondContact O-N 2.86Å; C1000-I1003 PolarHBondContact O-N 3.04Å; I1003-L1079 HydrophobicContact CD1-CD2 4.47Å; I1003-I1166 HydrophobicContact CD1-CG2 3.65Å; I1003-L1169 HydrophobicContact CG2-CB 4.25Å; I1003-L1169 HydrophobicContact CG2-CD1 4.2Å |
| 1004 | L | 64.1 | Low | 59.8 | Low | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.3 | -32.3 | 179.5 | -75.7 | 159 | 0 | 0 | 0 | 113.6 | C1000 N1006 A1007 T1008 L1169 | C1000-L1004 HydrophobicContact CB-CD1 4.07Å; C1000-L1004 WeakPolarHBondContact O-CB 3.48Å; C1000-L1004 WeakPolarHBondContact O-CD1 3.46Å; C1000-L1004 VanDerWaalsContact O-CG 3.3Å; C1000-L1004 WeakPolarHBondContact O-CG 3.2Å; C1000-L1004 PolarHBondContact O-N 2.8Å; L1004-N1006 PolarHBondContact O-N 2.9Å; L1004-A1007 PolarHBondContact O-N 2.75Å; L1004-A1007 VanDerWaalsContact O-N 3.15Å; L1004-T1008 PolarHBondContact O-N 3.2Å; L1004-T1008 PolarHBondContact O-OG1 3.23Å; L1004-L1169 HydrophobicContact CD2-CD1 3.61Å; L1004-L1169 HydrophobicContact CG-CD1 4.07Å |
| 1005 | T | 58.6 | Low | 58.6 | Low | 71 Ų | 71 | 66.6 Ų | 66.6 | 44% | 0.436 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -25.9 | 177.5 | 37.7 | 0 | 0 | 0 | 0 | 112.6 | N1001 L1002 | N1001-T1005 WeakPolarHBondContact O-CB 3.34Å; N1001-T1005 WeakPolarHBondContact O-CG2 2.88Å; N1001-T1005 PolarHBondContact O-N 3.26Å; N1001-T1005 PolarHBondContact O-OG1 2.86Å; L1002-T1005 PolarHBondContact O-OG1 3.46Å |
| 1006 | N | 50.2 | Low | 57.6 | Low | 102 Ų | 102 | 68.7 Ų | 68.7 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -86.3 | -20.1 | 176.6 | -138.7 | -3.9 | 0 | 0 | 0 | 113 | L1004 T1040 | L1004-N1006 PolarHBondContact O-N 2.9Å; N1006-T1040 PolarHBondContact ND2-OG1 3.09Å |
| 1007 | A | 50.6 | Low | 56.9 | Low | 58 Ų | 58 | 69.9 Ų | 69.9 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -87.7 | -23.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1004 L1169 | L1004-A1007 PolarHBondContact O-N 2.75Å; L1004-A1007 VanDerWaalsContact O-N 3.15Å; A1007-L1169 HydrophobicContact CB-CD2 4.03Å |
| 1008 | T | 47.3 | Very low | 56.2 | Low | 63 Ų | 63 | 70.6 Ų | 70.6 | 39% | 0.387 | 41% | 0.408 | S | S | . | . | trans | -121.4 | 97.6 | 178.2 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | L1004 S1010 | L1004-T1008 PolarHBondContact O-N 3.2Å; L1004-T1008 PolarHBondContact O-OG1 3.23Å; T1008-S1010 PolarHBondContact O-N 3.28Å | ||
| 1009 | R | 43.1 | Very low | 55.3 | Low | 259 Ų | 259 | 75.2 Ų | 75.2 | 98% | 0.977 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 19.3 | 176.3 | -76.7 | -176.5 | 174.3 | 176 | -1.5 | 114.9 | ||
| 1010 | S | 40.5 | Very low | 54.6 | Low | 99 Ų | 99 | 76.5 Ų | 76.5 | 69% | 0.692 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | 6.4 | -165.5 | 67.5 | 0 | 0 | 0 | 0 | 116.6 | T1008 | T1008-S1010 PolarHBondContact O-N 3.28Š|
| 1011 | I | 40.3 | Very low | 54.2 | Low | 106 Ų | 106 | 76.8 Ų | 76.8 | 54% | 0.544 | 44% | 0.443 | S | S | . | . | trans | -124.3 | 88 | 178.7 | -53.1 | 178 | 0 | 0 | 0 | 110.1 | T1013 | I1011-T1013 HydrophobicContact CG2-CG2 4.13Å; I1011-T1013 PolarHBondContact O-N 3.29Å | ||
| 1012 | S | 34.7 | Very low | 53.8 | Low | 127 Ų | 127 | 77.4 Ų | 77.4 | 89% | 0.888 | 45% | 0.453 | S | S | * | . | trans | -80.2 | 81.4 | 169.2 | 50 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1013 | T | 40.6 | Very low | 53.2 | Low | 98 Ų | 98 | 83.1 Ų | 83.1 | 60% | 0.601 | 48% | 0.483 | S | S | * | . | trans | -116.3 | 121.5 | 164.1 | 47.1 | 0 | 0 | 0 | 0 | 107.9 | I1011 F1015 | I1011-T1013 HydrophobicContact CG2-CG2 4.13Å; I1011-T1013 PolarHBondContact O-N 3.29Å; T1013-F1015 PolarHBondContact O-N 2.95Å | ||
| 1014 | S | 44.2 | Very low | 52.7 | Low | 129 Ų | 129 | 83.6 Ų | 83.6 | 90% | 0.902 | 49% | 0.485 | S | S | * | . | trans | -57.6 | 95.1 | 178.3 | 51.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1015 | F | 47.9 | Very low | 52.5 | Low | 69 Ų | 69 | 83.2 Ų | 83.2 | 30% | 0.303 | 50% | 0.496 | S | S | . | . | trans | -86 | 107.3 | 174.3 | -175.8 | -102.7 | 0 | 0 | 0 | 108.8 | L998 N1001 T1013 I1017 S1020 | L998-F1015 HydrophobicContact CD1-CE1 3.43Å; L998-F1015 VanDerWaalsContact CD1-CE1 3.43Å; L998-F1015 HydrophobicContact CD1-CZ 3.48Å; L998-F1015 VanDerWaalsContact CD1-CZ 3.48Å; N1001-F1015 HydrophobicContact CB-CD1 4.43Å; N1001-F1015 HydrophobicContact CB-CD2 4.07Å; N1001-F1015 HydrophobicContact CB-CE1 4.15Å; N1001-F1015 HydrophobicContact CB-CE2 3.78Å; N1001-F1015 HydrophobicContact CB-CG 4.39Å; N1001-F1015 HydrophobicContact CB-CZ 3.82Å; N1001-F1015 WeakPolarHBondContact ND2-CE2 3.03Å; T1013-F1015 PolarHBondContact O-N 2.95Å; F1015-I1017 HydrophobicContact CD1-CG1 3.79Å; F1015-I1017 HydrophobicContact CE1-CG1 3.91Å; F1015-I1017 PolarHBondContact O-N 2.98Å; F1015-S1020 VanDerWaalsContact CZ-OG 3.23Å; F1015-S1020 WeakPolarHBondContact CZ-OG 3.4Å | ||
| 1016 | S | 56 | Low | 52.7 | Low | 45 Ų | 45 | 80.2 Ų | 80.2 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | trans | -76.9 | 98.1 | 174.4 | 175.6 | 0 | 0 | 0 | 0 | 109 | S1018 D1019 S1020 | S1016-S1018 PolarHBondContact O-N 3.45Å; S1016-S1018 PolarHBondContact OG-OG 3.26Å; S1016-D1019 WeakPolarHBondContact CB-OD2 3.47Å; S1016-D1019 PolarHBondContact O-N 2.75Å; S1016-D1019 PolarHBondContact OG-N 2.81Å; S1016-D1019 PolarHBondContact OG-OD2 3Å; S1016-S1020 PolarHBondContact O-N 3.36Å; S1016-S1020 PolarHBondContact O-OG 3.06Å | ||
| 1017 | I | 60.3 | Low | 53.1 | Low | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.138 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -58.8 | -34.3 | 176.3 | -64.2 | 170.1 | 0 | 0 | 0 | 110.2 | L1002 F1015 D1019 S1020 L1021 F1035 | L1002-I1017 HydrophobicContact CD2-CD1 4.05Å; L1002-I1017 HydrophobicContact CD2-CG1 4.47Å; F1015-I1017 HydrophobicContact CD1-CG1 3.79Å; F1015-I1017 HydrophobicContact CE1-CG1 3.91Å; F1015-I1017 PolarHBondContact O-N 2.98Å; I1017-D1019 PolarHBondContact O-N 2.56Å; I1017-S1020 PolarHBondContact O-N 2.62Å; I1017-L1021 HydrophobicContact CG2-CD1 3.62Å; I1017-L1021 HydrophobicContact CG2-CG 4.03Å; I1017-L1021 VanDerWaalsContact O-CG 3.26Å; I1017-L1021 WeakPolarHBondContact O-CG 3.35Å; I1017-L1021 PolarHBondContact O-N 3.31Å; I1017-F1035 HydrophobicContact CG2-CE1 4.08Å |
| 1018 | S | 59.2 | Low | 53.6 | Low | 80 Ų | 80 | 78.9 Ų | 78.9 | 56% | 0.559 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.5 | -38 | 178 | 41.9 | 0 | 0 | 0 | 0 | 114 | S1016 S1020 S1022 | S1016-S1018 PolarHBondContact O-N 3.45Å; S1016-S1018 PolarHBondContact OG-OG 3.26Å; S1018-S1020 VanDerWaalsContact C-N 3.33Å; S1018-S1022 PolarHBondContact O-N 2.79Å |
| 1019 | D | 58.7 | Low | 54.2 | Low | 100 Ų | 100 | 83 Ų | 83 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.6 | -22.6 | 179.2 | -63.8 | -37.5 | 0 | 0 | 0 | 112.5 | S1016 I1017 S1022 N1023 | S1016-D1019 WeakPolarHBondContact CB-OD2 3.47Å; S1016-D1019 PolarHBondContact O-N 2.75Å; S1016-D1019 PolarHBondContact OG-N 2.81Å; S1016-D1019 PolarHBondContact OG-OD2 3Å; I1017-D1019 PolarHBondContact O-N 2.56Å; D1019-S1022 PolarHBondContact O-OG 2.71Å; D1019-S1022 VanDerWaalsContact O-OG 3.07Å; D1019-N1023 PolarHBondContact O-ND2 2.82Å |
| 1020 | S | 62.1 | Low | 54.9 | Low | 28 Ų | 28 | 73.6 Ų | 73.6 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -83.9 | -34.6 | 177.4 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | F1015 S1016 I1017 S1018 N1023 I1024 | F1015-S1020 VanDerWaalsContact CZ-OG 3.23Å; F1015-S1020 WeakPolarHBondContact CZ-OG 3.4Å; S1016-S1020 PolarHBondContact O-N 3.36Å; S1016-S1020 PolarHBondContact O-OG 3.06Å; I1017-S1020 PolarHBondContact O-N 2.62Å; S1018-S1020 VanDerWaalsContact C-N 3.33Å; S1020-N1023 PolarHBondContact O-N 2.82Å; S1020-I1024 VanDerWaalsContact O-CD1 3.25Å; S1020-I1024 WeakPolarHBondContact O-CD1 3.43Å; S1020-I1024 VanDerWaalsContact O-CG1 3.26Å; S1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; S1020-I1024 PolarHBondContact O-N 3.11Å |
| 1021 | L | 64.4 | Low | 56.1 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.7 | -38 | 177 | -73.6 | 166.4 | 0 | 0 | 0 | 112.9 | L998 I1017 N1023 I1024 G1025 I1026 L1031 I1047 | L998-L1021 HydrophobicContact CD2-CD2 4.38Å; I1017-L1021 HydrophobicContact CG2-CD1 3.62Å; I1017-L1021 HydrophobicContact CG2-CG 4.03Å; I1017-L1021 VanDerWaalsContact O-CG 3.26Å; I1017-L1021 WeakPolarHBondContact O-CG 3.35Å; I1017-L1021 PolarHBondContact O-N 3.31Å; L1021-N1023 VanDerWaalsContact C-N 3.32Å; L1021-N1023 PolarHBondContact O-N 3.22Å; L1021-I1024 PolarHBondContact O-N 3.33Å; L1021-G1025 PolarHBondContact O-N 2.83Å; L1021-I1026 HydrophobicContact CD2-CB 4.25Å; L1021-I1026 HydrophobicContact CD2-CD1 4.25Å; L1021-I1026 HydrophobicContact CD2-CG2 4.32Å; L1021-I1026 PolarHBondContact O-N 3.1Å; L1021-L1031 HydrophobicContact CD1-CD1 3.59Å; L1021-L1031 HydrophobicContact CD2-CD1 4.32Å; L1021-I1047 HydrophobicContact CD2-CG1 4.3Å |
| 1022 | S | 62.9 | Low | 57.3 | Low | 81 Ų | 81 | 67.6 Ų | 67.6 | 57% | 0.566 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.4 | -34.3 | 177.4 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | S1018 D1019 I1024 | S1018-S1022 PolarHBondContact O-N 2.79Å; D1019-S1022 PolarHBondContact O-OG 2.71Å; D1019-S1022 VanDerWaalsContact O-OG 3.07Å; S1022-I1024 VanDerWaalsContact C-N 3.3Å; S1022-I1024 PolarHBondContact O-N 3.1Å |
| 1023 | N | 61.3 | Low | 58.6 | Low | 125 Ų | 125 | 69.8 Ų | 69.8 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.7 | -23 | 175.3 | -72.2 | -34.4 | 0 | 0 | 0 | 113.3 | D1019 S1020 L1021 | D1019-N1023 PolarHBondContact O-ND2 2.82Å; S1020-N1023 PolarHBondContact O-N 2.82Å; L1021-N1023 VanDerWaalsContact C-N 3.32Å; L1021-N1023 PolarHBondContact O-N 3.22Å |
| 1024 | I | 59.9 | Low | 59.9 | Low | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -93.8 | -5.8 | -177.3 | -63.7 | 164.4 | 0 | 0 | 0 | 111.8 | D994 I995 L998 S1020 L1021 S1022 I1026 | D994-I1024 HydrophobicContact CB-CD1 4.2Å; D994-I1024 HydrophobicContact CB-CG1 3.62Å; I995-I1024 HydrophobicContact CD1-CG2 3.67Å; I995-I1024 HydrophobicContact CG1-CD1 3.98Å; I995-I1024 HydrophobicContact CG1-CG1 4.34Å; I995-I1024 HydrophobicContact CG1-CG2 3.49Å; I995-I1024 VanDerWaalsContact CG1-CG2 3.49Å; L998-I1024 HydrophobicContact CB-CD1 4.06Å; L998-I1024 HydrophobicContact CD2-CD1 3.47Å; L998-I1024 VanDerWaalsContact CD2-CD1 3.47Å; L998-I1024 HydrophobicContact CG-CD1 4.4Å; S1020-I1024 VanDerWaalsContact O-CD1 3.25Å; S1020-I1024 WeakPolarHBondContact O-CD1 3.43Å; S1020-I1024 VanDerWaalsContact O-CG1 3.26Å; S1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; S1020-I1024 PolarHBondContact O-N 3.11Å; L1021-I1024 PolarHBondContact O-N 3.33Å; S1022-I1024 VanDerWaalsContact C-N 3.3Å; S1022-I1024 PolarHBondContact O-N 3.1Å; I1024-I1026 VanDerWaalsContact C-N 3.35Å; I1024-I1026 HydrophobicContact CG2-CD1 4.01Å; I1024-I1026 HydrophobicContact CG2-CG1 4.05Å |
| 1025 | G | 59.9 | Low | 61.2 | Low | 52 Ų | 52 | 64.7 Ų | 64.7 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 19.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1021 | L1021-G1025 PolarHBondContact O-N 2.83Š|
| 1026 | I | 62.2 | Low | 62.4 | Low | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.046 | 41% | 0.413 | C | S | . | . | trans | -91.5 | 112.4 | 171.9 | -58 | -179.5 | 0 | 0 | 0 | 107.2 | L1021 I1024 C1030 L1031 I1047 | L1021-I1026 HydrophobicContact CD2-CB 4.25Å; L1021-I1026 HydrophobicContact CD2-CD1 4.25Å; L1021-I1026 HydrophobicContact CD2-CG2 4.32Å; L1021-I1026 PolarHBondContact O-N 3.1Å; I1024-I1026 VanDerWaalsContact C-N 3.35Å; I1024-I1026 HydrophobicContact CG2-CD1 4.01Å; I1024-I1026 HydrophobicContact CG2-CG1 4.05Å; I1026-C1030 HydrophobicContact CG2-CB 4.33Å; I1026-L1031 HydrophobicContact CG2-CD2 4.37Å; I1026-L1031 HydrophobicContact CG2-CG 4.39Å; I1026-I1047 HydrophobicContact CD1-CG2 4.29Å | ||
| 1027 | S | 59.9 | Low | 63 | Low | 52 Ų | 52 | 70.4 Ų | 70.4 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | trans | -63.9 | 141.8 | 171.9 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | D1029 C1030 | S1027-D1029 PolarHBondContact O-N 2.88Å; S1027-D1029 VanDerWaalsContact O-N 3.09Å; S1027-D1029 PolarHBondContact OG-N 3.2Å; S1027-D1029 PolarHBondContact OG-OD2 3.21Å; S1027-C1030 WeakPolarHBondContact O-CB 3.39Å; S1027-C1030 PolarHBondContact O-N 3.42Å | ||
| 1028 | A | 60.2 | Low | 63.4 | Low | 79 Ų | 79 | 72.3 Ų | 72.3 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -56.5 | -24.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | C1030 L1031 | A1028-C1030 PolarHBondContact O-N 3.25Å; A1028-L1031 PolarHBondContact O-N 3.19Å |
| 1029 | D | 59.6 | Low | 64 | Low | 149 Ų | 149 | 70.9 Ų | 70.9 | 80% | 0.797 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -70.8 | -16.9 | 177 | -49 | -42.5 | 0 | 0 | 0 | 113.6 | S1027 | S1027-D1029 PolarHBondContact O-N 2.88Å; S1027-D1029 VanDerWaalsContact O-N 3.09Å; S1027-D1029 PolarHBondContact OG-N 3.2Å; S1027-D1029 PolarHBondContact OG-OD2 3.21Å |
| 1030 | C | 57.9 | Low | 64.8 | Low | 62 Ų | 62 | 67.8 Ų | 67.8 | 42% | 0.419 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -87.3 | -8 | 180 | -61 | 0 | 0 | 0 | 0 | 113.2 | I1026 S1027 A1028 H1050 | I1026-C1030 HydrophobicContact CG2-CB 4.33Å; S1027-C1030 WeakPolarHBondContact O-CB 3.39Å; S1027-C1030 PolarHBondContact O-N 3.42Å; A1028-C1030 PolarHBondContact O-N 3.25Å; C1030-H1050 VanDerWaalsContact CB-CE1 3.45Å; C1030-H1050 WeakPolarHBondContact CB-CE1 3.16Å; C1030-H1050 WeakPolarHBondContact CB-NE2 3.48Å |
| 1031 | L | 65.5 | Low | 65.5 | Low | 22 Ų | 22 | 66.6 Ų | 66.6 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -95.6 | 146.6 | -178.6 | -64.7 | 172.6 | 0 | 0 | 0 | 110.3 | L1021 I1026 A1028 F1035 I1046 | L1021-L1031 HydrophobicContact CD1-CD1 3.59Å; L1021-L1031 HydrophobicContact CD2-CD1 4.32Å; I1026-L1031 HydrophobicContact CG2-CD2 4.37Å; I1026-L1031 HydrophobicContact CG2-CG 4.39Å; A1028-L1031 PolarHBondContact O-N 3.19Å; L1031-F1035 HydrophobicContact CB-CB 4.18Å; L1031-F1035 HydrophobicContact CB-CD2 4.24Å; L1031-F1035 HydrophobicContact CB-CG 4.2Å; L1031-F1035 HydrophobicContact CD1-CD1 4.08Å; L1031-F1035 HydrophobicContact CD1-CD2 4.31Å; L1031-F1035 HydrophobicContact CD1-CE1 4.23Å; L1031-F1035 HydrophobicContact CD1-CE2 4.45Å; L1031-F1035 HydrophobicContact CD1-CG 4.12Å; L1031-F1035 HydrophobicContact CD1-CZ 4.41Å; L1031-F1035 HydrophobicContact CD2-CD2 3.83Å; L1031-F1035 HydrophobicContact CD2-CE2 3.79Å; L1031-F1035 HydrophobicContact CD2-CG 4.43Å; L1031-F1035 HydrophobicContact CD2-CZ 4.37Å; L1031-F1035 HydrophobicContact CG-CD2 4.35Å; L1031-F1035 HydrophobicContact CG-CG 4.49Å; L1031-I1046 HydrophobicContact CD2-CG2 3.81Å |
| 1032 | P | 65.1 | Low | 66.1 | Low | 58 Ų | 58 | 66.8 Ų | 66.8 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | trans | -55.2 | 142.3 | 173.1 | -23.2 | 32.7 | 0 | 0 | 0 | 111.2 | D1034 F1035 F1038 I1046 | P1032-D1034 PolarHBondContact O-N 3.37Å; P1032-F1035 VanDerWaalsContact O-CB 3.3Å; P1032-F1035 WeakPolarHBondContact O-CB 3.37Å; P1032-F1035 PolarHBondContact O-N 3.32Å; P1032-F1038 HydrophobicContact CB-CE2 3.96Å; P1032-F1038 HydrophobicContact CB-CZ 4.49Å; P1032-F1038 HydrophobicContact CG-CE2 4.29Å; P1032-I1046 HydrophobicContact CG-CD1 4.24Å | ||
| 1033 | N | 63.9 | Low | 67 | Low | 172 Ų | 172 | 63.7 Ų | 63.7 | 92% | 0.92 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -27 | 178.2 | -71.5 | -24.3 | 0 | 0 | 0 | 113.3 | ||
| 1034 | D | 67 | Low | 67.9 | Low | 113 Ų | 113 | 57.8 Ų | 57.8 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 21.1 | 179.1 | -59.7 | -39.5 | 0 | 0 | 0 | 113.5 | P1032 H1036 A1037 F1038 | P1032-D1034 PolarHBondContact O-N 3.37Å; D1034-H1036 PolarHBondContact O-N 3.07Å; D1034-H1036 VanDerWaalsContact O-N 3.08Å; D1034-A1037 HydrophobicContact CB-CB 4.23Å; D1034-A1037 WeakPolarHBondContact O-CA 3.5Å; D1034-A1037 VanDerWaalsContact O-CB 3.31Å; D1034-A1037 WeakPolarHBondContact O-CB 3.25Å; D1034-A1037 PolarHBondContact O-N 2.94Å; D1034-F1038 HydrophobicContact CB-CE2 4.17Å; D1034-F1038 WeakPolarHBondContact O-CD2 3.46Å; D1034-F1038 WeakPolarHBondContact O-CE2 3.36Å |
| 1035 | F | 71.1 | Confident | 69.1 | Low | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.035 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -48.8 | -41.3 | -174.5 | -177.7 | -106 | 0 | 0 | 0 | 113.7 | I1017 L1031 P1032 A1037 F1038 Q1043 I1046 I1047 | I1017-F1035 HydrophobicContact CG2-CE1 4.08Å; L1031-F1035 HydrophobicContact CB-CB 4.18Å; L1031-F1035 HydrophobicContact CB-CD2 4.24Å; L1031-F1035 HydrophobicContact CB-CG 4.2Å; L1031-F1035 HydrophobicContact CD1-CD1 4.08Å; L1031-F1035 HydrophobicContact CD1-CD2 4.31Å; L1031-F1035 HydrophobicContact CD1-CE1 4.23Å; L1031-F1035 HydrophobicContact CD1-CE2 4.45Å; L1031-F1035 HydrophobicContact CD1-CG 4.12Å; L1031-F1035 HydrophobicContact CD1-CZ 4.41Å; L1031-F1035 HydrophobicContact CD2-CD2 3.83Å; L1031-F1035 HydrophobicContact CD2-CE2 3.79Å; L1031-F1035 HydrophobicContact CD2-CG 4.43Å; L1031-F1035 HydrophobicContact CD2-CZ 4.37Å; L1031-F1035 HydrophobicContact CG-CD2 4.35Å; L1031-F1035 HydrophobicContact CG-CG 4.49Å; P1032-F1035 VanDerWaalsContact O-CB 3.3Å; P1032-F1035 WeakPolarHBondContact O-CB 3.37Å; P1032-F1035 PolarHBondContact O-N 3.32Å; F1035-A1037 VanDerWaalsContact C-N 3.3Å; F1035-A1037 PolarHBondContact O-N 2.56Å; F1035-F1038 PolarHBondContact O-N 3.01Å; F1035-Q1043 HydrophobicContact CE1-CG 4.33Å; F1035-Q1043 HydrophobicContact CE2-CB 4.15Å; F1035-Q1043 HydrophobicContact CE2-CG 4.15Å; F1035-Q1043 HydrophobicContact CZ-CB 3.93Å; F1035-Q1043 HydrophobicContact CZ-CG 3.99Å; F1035-Q1043 PolarHBondContact O-NE2 2.84Å; F1035-I1046 HydrophobicContact CD2-CD1 4.22Å; F1035-I1046 HydrophobicContact CD2-CG2 4.11Å; F1035-I1046 HydrophobicContact CE2-CB 4.16Å; F1035-I1046 HydrophobicContact CE2-CD1 4.43Å; F1035-I1046 HydrophobicContact CE2-CG2 3.93Å; F1035-I1047 HydrophobicContact CE2-CG1 4.33Å; F1035-I1047 HydrophobicContact CZ-CD1 3.89Å; F1035-I1047 HydrophobicContact CZ-CG1 4.04Å |
| 1036 | H | 72.5 | Confident | 70.1 | Confident | 148 Ų | 148 | 57 Ų | 57 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -75.1 | -13.4 | 179 | -66.9 | -64.7 | 0 | 0 | 0 | 114.6 | D1034 | D1034-H1036 PolarHBondContact O-N 3.07Å; D1034-H1036 VanDerWaalsContact O-N 3.08Å |
| 1037 | A | 69.2 | Low | 71 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -87.3 | -12.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1034 F1035 | D1034-A1037 HydrophobicContact CB-CB 4.23Å; D1034-A1037 WeakPolarHBondContact O-CA 3.5Å; D1034-A1037 VanDerWaalsContact O-CB 3.31Å; D1034-A1037 WeakPolarHBondContact O-CB 3.25Å; D1034-A1037 PolarHBondContact O-N 2.94Å; F1035-A1037 VanDerWaalsContact C-N 3.3Å; F1035-A1037 PolarHBondContact O-N 2.56Å |
| 1038 | F | 68 | Low | 72.1 | Confident | 68 Ų | 68 | 54 Ų | 54 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.3 | 154.6 | 177.1 | -74.2 | -76.2 | 0 | 0 | 0 | 112.5 | P1032 D1034 F1035 D1042 Q1043 I1046 | P1032-F1038 HydrophobicContact CB-CE2 3.96Å; P1032-F1038 HydrophobicContact CB-CZ 4.49Å; P1032-F1038 HydrophobicContact CG-CE2 4.29Å; D1034-F1038 HydrophobicContact CB-CE2 4.17Å; D1034-F1038 WeakPolarHBondContact O-CD2 3.46Å; D1034-F1038 WeakPolarHBondContact O-CE2 3.36Å; F1035-F1038 PolarHBondContact O-N 3.01Å; F1038-D1042 HydrophobicContact CB-CB 3.64Å; F1038-D1042 HydrophobicContact CD1-CB 3.79Å; F1038-D1042 HydrophobicContact CG-CB 4.05Å; F1038-Q1043 HydrophobicContact CB-CG 4.1Å; F1038-Q1043 PolarHBondContact O-NE2 3.08Å; F1038-I1046 HydrophobicContact CD1-CD1 4.36Å; F1038-I1046 HydrophobicContact CD2-CD1 3.93Å; F1038-I1046 HydrophobicContact CE2-CD1 4.14Å; F1038-I1046 HydrophobicContact CG-CD1 4.04Å; F1038-I1046 HydrophobicContact CZ-CD1 4.44Å |
| 1039 | S | 73.8 | Confident | 73.1 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | trans | -62 | 158.2 | 171.1 | 75.4 | 0 | 0 | 0 | 0 | 110.8 | D1041 D1042 Q1043 | S1039-D1041 PolarHBondContact O-N 3.27Å; S1039-D1041 VanDerWaalsContact O-N 3.09Å; S1039-D1042 WeakPolarHBondContact CB-OD2 3.5Å; S1039-D1042 PolarHBondContact O-N 3.38Å; S1039-D1042 PolarHBondContact OG-N 3.14Å; S1039-D1042 VanDerWaalsContact OG-N 3.14Å; S1039-D1042 PolarHBondContact OG-OD2 3.3Å; S1039-Q1043 WeakPolarHBondContact O-CG 3.5Å; S1039-Q1043 PolarHBondContact O-N 2.87Å | ||
| 1040 | T | 74.5 | Confident | 74 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.1 | -29.2 | 176.9 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | N1006 A1044 | N1006-T1040 PolarHBondContact ND2-OG1 3.09Å; T1040-A1044 VanDerWaalsContact O-CB 3.3Å; T1040-A1044 WeakPolarHBondContact O-CB 3.34Å; T1040-A1044 PolarHBondContact O-N 3.44Å |
| 1041 | D | 76.3 | Confident | 75.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.7 | -41.5 | 177 | -68 | 3.7 | 0 | 0 | 0 | 112.1 | S1039 Q1043 A1044 L1045 R1173 | S1039-D1041 PolarHBondContact O-N 3.27Å; S1039-D1041 VanDerWaalsContact O-N 3.09Å; D1041-Q1043 VanDerWaalsContact C-N 3.32Å; D1041-A1044 PolarHBondContact O-N 2.71Å; D1041-L1045 VanDerWaalsContact O-CB 3.29Å; D1041-L1045 WeakPolarHBondContact O-CB 3.4Å; D1041-L1045 PolarHBondContact O-N 3.1Å; D1041-R1173 VanDerWaalsContact CG-NH1 3.32Å; D1041-R1173 VanDerWaalsContact CG-NH2 3.26Å; D1041-R1173 IonicContact OD1-CZ 2.82Å; D1041-R1173 IonicContact OD1-NH1 4Å; D1041-R1173 PolarHBondContact OD1-NH1 2.85Å; D1041-R1173 IonicContact OD1-NH2 3.1Å; D1041-R1173 PolarHBondContact OD1-NH2 3.32Å; D1041-R1173 IonicContact OD2-CZ 2.71Å; D1041-R1173 IonicContact OD2-NH1 2.94Å; D1041-R1173 PolarHBondContact OD2-NH1 3.05Å; D1041-R1173 IonicContact OD2-NH2 2.82Å; D1041-R1173 PolarHBondContact OD2-NH2 3.47Å |
| 1042 | D | 77.3 | Confident | 75.9 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 174 | -73.6 | -66.5 | 0 | 0 | 0 | 110.1 | F1038 S1039 L1045 I1046 R1087 | F1038-D1042 HydrophobicContact CB-CB 3.64Å; F1038-D1042 HydrophobicContact CD1-CB 3.79Å; F1038-D1042 HydrophobicContact CG-CB 4.05Å; S1039-D1042 WeakPolarHBondContact CB-OD2 3.5Å; S1039-D1042 PolarHBondContact O-N 3.38Å; S1039-D1042 PolarHBondContact OG-N 3.14Å; S1039-D1042 VanDerWaalsContact OG-N 3.14Å; S1039-D1042 PolarHBondContact OG-OD2 3.3Å; D1042-L1045 PolarHBondContact O-N 2.91Å; D1042-I1046 WeakPolarHBondContact O-CB 3.45Å; D1042-I1046 WeakPolarHBondContact O-CD1 3.49Å; D1042-I1046 WeakPolarHBondContact O-CG1 3.24Å; D1042-I1046 PolarHBondContact O-N 3.12Å; D1042-R1087 IonicContact OD1-CZ 2.79Å; D1042-R1087 IonicContact OD1-NE 2.73Å; D1042-R1087 PolarHBondContact OD1-NE 2.77Å; D1042-R1087 IonicContact OD1-NH2 3.49Å; D1042-R1087 PolarHBondContact OD1-NH2 3.26Å |
| 1043 | Q | 81 | Confident | 76.5 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 172.6 | -70.6 | 173.8 | 2.7 | 0 | 0 | 111.4 | F1035 F1038 S1039 D1041 L1045 I1046 I1047 | F1035-Q1043 HydrophobicContact CE1-CG 4.33Å; F1035-Q1043 HydrophobicContact CE2-CB 4.15Å; F1035-Q1043 HydrophobicContact CE2-CG 4.15Å; F1035-Q1043 HydrophobicContact CZ-CB 3.93Å; F1035-Q1043 HydrophobicContact CZ-CG 3.99Å; F1035-Q1043 PolarHBondContact O-NE2 2.84Å; F1038-Q1043 HydrophobicContact CB-CG 4.1Å; F1038-Q1043 PolarHBondContact O-NE2 3.08Å; S1039-Q1043 WeakPolarHBondContact O-CG 3.5Å; S1039-Q1043 PolarHBondContact O-N 2.87Å; D1041-Q1043 VanDerWaalsContact C-N 3.32Å; Q1043-L1045 PolarHBondContact O-N 2.91Å; Q1043-I1046 PolarHBondContact O-N 3.43Å; Q1043-I1047 WeakPolarHBondContact O-CD1 3.47Å; Q1043-I1047 VanDerWaalsContact O-CG1 3.29Å; Q1043-I1047 WeakPolarHBondContact O-CG1 3.34Å; Q1043-I1047 PolarHBondContact O-N 2.81Å |
| 1044 | A | 81.2 | Confident | 77 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L999 T1040 D1041 L1048 L1079 | L999-A1044 HydrophobicContact CD2-CB 3.57Å; T1040-A1044 VanDerWaalsContact O-CB 3.3Å; T1040-A1044 WeakPolarHBondContact O-CB 3.34Å; T1040-A1044 PolarHBondContact O-N 3.44Å; D1041-A1044 PolarHBondContact O-N 2.71Å; A1044-L1048 WeakPolarHBondContact O-CB 3.45Å; A1044-L1048 PolarHBondContact O-N 3.13Å; A1044-L1079 HydrophobicContact CB-CD1 4.09Å |
| 1045 | L | 84.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.8 | 179.7 | 62.9 | 0 | 0 | 0 | 111.5 | D1041 D1042 Q1043 L1048 D1049 R1076 L1079 R1080 C1083 | D1041-L1045 VanDerWaalsContact O-CB 3.29Å; D1041-L1045 WeakPolarHBondContact O-CB 3.4Å; D1041-L1045 PolarHBondContact O-N 3.1Å; D1042-L1045 PolarHBondContact O-N 2.91Å; Q1043-L1045 PolarHBondContact O-N 2.91Å; L1045-L1048 PolarHBondContact O-N 3.32Å; L1045-D1049 VanDerWaalsContact O-CB 3.32Å; L1045-D1049 WeakPolarHBondContact O-CB 3.05Å; L1045-D1049 PolarHBondContact O-N 3.31Å; L1045-R1076 HydrophobicContact CD1-CG 4.09Å; L1045-L1079 HydrophobicContact CB-CB 4.47Å; L1045-L1079 HydrophobicContact CD1-CB 4.22Å; L1045-R1080 HydrophobicContact CD1-CB 4.11Å; L1045-R1080 HydrophobicContact CD2-CB 4.33Å; L1045-C1083 HydrophobicContact CD2-CB 4.08Å |
| 1046 | I | 81.9 | Confident | 77.3 | Confident | 35 Ų | 35 | 44.2 Ų | 44.2 | 18% | 0.179 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -45.9 | 178.4 | -70.5 | 161.8 | 0 | 0 | 0 | 110.9 | L1031 P1032 F1035 F1038 D1042 Q1043 L1048 H1050 | L1031-I1046 HydrophobicContact CD2-CG2 3.81Å; P1032-I1046 HydrophobicContact CG-CD1 4.24Å; F1035-I1046 HydrophobicContact CD2-CD1 4.22Å; F1035-I1046 HydrophobicContact CD2-CG2 4.11Å; F1035-I1046 HydrophobicContact CE2-CB 4.16Å; F1035-I1046 HydrophobicContact CE2-CD1 4.43Å; F1035-I1046 HydrophobicContact CE2-CG2 3.93Å; F1038-I1046 HydrophobicContact CD1-CD1 4.36Å; F1038-I1046 HydrophobicContact CD2-CD1 3.93Å; F1038-I1046 HydrophobicContact CE2-CD1 4.14Å; F1038-I1046 HydrophobicContact CG-CD1 4.04Å; F1038-I1046 HydrophobicContact CZ-CD1 4.44Å; D1042-I1046 WeakPolarHBondContact O-CB 3.45Å; D1042-I1046 WeakPolarHBondContact O-CD1 3.49Å; D1042-I1046 WeakPolarHBondContact O-CG1 3.24Å; D1042-I1046 PolarHBondContact O-N 3.12Å; Q1043-I1046 PolarHBondContact O-N 3.43Å; I1046-L1048 VanDerWaalsContact C-N 3.33Å; I1046-L1048 PolarHBondContact O-N 2.74Å; I1046-H1050 WeakPolarHBondContact O-CB 3.38Å; I1046-H1050 PolarHBondContact O-N 3.42Å |
| 1047 | I | 81.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 177.3 | -70.5 | 161.5 | 0 | 0 | 0 | 110.7 | L998 L1002 L1021 I1026 F1035 Q1043 F1051 | L998-I1047 HydrophobicContact CD2-CD1 3.83Å; L998-I1047 HydrophobicContact CD2-CG2 3.97Å; L998-I1047 HydrophobicContact CG-CD1 4.25Å; L1002-I1047 HydrophobicContact CD1-CD1 3.53Å; L1021-I1047 HydrophobicContact CD2-CG1 4.3Å; I1026-I1047 HydrophobicContact CD1-CG2 4.29Å; F1035-I1047 HydrophobicContact CE2-CG1 4.33Å; F1035-I1047 HydrophobicContact CZ-CD1 3.89Å; F1035-I1047 HydrophobicContact CZ-CG1 4.04Å; Q1043-I1047 WeakPolarHBondContact O-CD1 3.47Å; Q1043-I1047 VanDerWaalsContact O-CG1 3.29Å; Q1043-I1047 WeakPolarHBondContact O-CG1 3.34Å; Q1043-I1047 PolarHBondContact O-N 2.81Å; I1047-F1051 WeakPolarHBondContact O-CB 3.29Å; I1047-F1051 PolarHBondContact O-N 3.16Å; I1047-F1051 VanDerWaalsContact O-N 3.12Å |
| 1048 | L | 82.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72 | -38.3 | -177.3 | -172.9 | 59.9 | 0 | 0 | 0 | 112.6 | I995 L999 A1044 L1045 I1046 L1052 L1072 L1075 R1076 L1079 | I995-L1048 HydrophobicContact CG2-CD1 4.5Å; L999-L1048 HydrophobicContact CD1-CD1 4.24Å; A1044-L1048 WeakPolarHBondContact O-CB 3.45Å; A1044-L1048 PolarHBondContact O-N 3.13Å; L1045-L1048 PolarHBondContact O-N 3.32Å; I1046-L1048 VanDerWaalsContact C-N 3.33Å; I1046-L1048 PolarHBondContact O-N 2.74Å; L1048-L1052 HydrophobicContact CD1-CD1 4.04Å; L1048-L1052 HydrophobicContact CD1-CG 4.3Å; L1048-L1052 HydrophobicContact CG-CD1 3.97Å; L1048-L1052 WeakPolarHBondContact O-CB 3.48Å; L1048-L1052 VanDerWaalsContact O-CG 3.29Å; L1048-L1052 WeakPolarHBondContact O-CG 3.47Å; L1048-L1052 PolarHBondContact O-N 3.24Å; L1048-L1072 HydrophobicContact CD1-CB 4.04Å; L1048-L1072 HydrophobicContact CD1-CD2 3.96Å; L1048-L1072 HydrophobicContact CD1-CG 4.49Å; L1048-L1075 HydrophobicContact CD2-CB 4.18Å; L1048-L1075 HydrophobicContact CD2-CD2 4.21Å; L1048-L1075 HydrophobicContact CD2-CG 4Å; L1048-R1076 HydrophobicContact CD2-CB 3.76Å; L1048-R1076 HydrophobicContact CG-CB 4.09Å; L1048-L1079 HydrophobicContact CD2-CD1 3.91Å |
| 1049 | D | 81.1 | Confident | 76.8 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 173.7 | -87.9 | -12.9 | 0 | 0 | 0 | 110.5 | L1045 F1051 L1052 E1053 R1076 | L1045-D1049 VanDerWaalsContact O-CB 3.32Å; L1045-D1049 WeakPolarHBondContact O-CB 3.05Å; L1045-D1049 PolarHBondContact O-N 3.31Å; D1049-F1051 VanDerWaalsContact C-N 3.32Å; D1049-F1051 PolarHBondContact O-N 3.28Å; D1049-L1052 PolarHBondContact O-N 2.92Å; D1049-E1053 WeakPolarHBondContact O-CB 3.15Å; D1049-E1053 WeakPolarHBondContact O-CG 2.77Å; D1049-E1053 PolarHBondContact O-N 2.94Å; D1049-R1076 WeakPolarHBondContact OD1-CD 3.24Å; D1049-R1076 VanDerWaalsContact OD1-CG 3.27Å; D1049-R1076 WeakPolarHBondContact OD1-CG 3.42Å |
| 1050 | H | 79.3 | Confident | 76.4 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 20% | 0.199 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | -178.8 | -165 | 72 | 0 | 0 | 0 | 112.1 | C1030 I1046 N1054 | C1030-H1050 VanDerWaalsContact CB-CE1 3.45Å; C1030-H1050 WeakPolarHBondContact CB-CE1 3.16Å; C1030-H1050 WeakPolarHBondContact CB-NE2 3.48Å; I1046-H1050 WeakPolarHBondContact O-CB 3.38Å; I1046-H1050 PolarHBondContact O-N 3.42Å; H1050-N1054 PolarHBondContact CD2-ND2 2.86Å; H1050-N1054 VanDerWaalsContact CD2-ND2 3.3Å; H1050-N1054 PolarHBondContact NE2-ND2 3.22Å; H1050-N1054 VanDerWaalsContact NE2-ND2 3.16Å; H1050-N1054 WeakPolarHBondContact O-CB 3.24Å; H1050-N1054 PolarHBondContact O-N 3.13Å; H1050-N1054 VanDerWaalsContact O-N 3.08Å; H1050-N1054 PolarHBondContact O-ND2 3.04Å |
| 1051 | F | 81.7 | Confident | 75.9 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -50.2 | 175.5 | 177.7 | -116.6 | 0 | 0 | 0 | 113 | W988 A992 I995 I1047 D1049 E1053 N1054 L1055 L1072 | W988-F1051 AromaticContact CD1-CZ 3.59Å; W988-F1051 AromaticContact NE1-CE1 3.88Å; W988-F1051 AromaticContact NE1-CZ 3.51Å; A992-F1051 HydrophobicContact CB-CE1 4.32Å; A992-F1051 HydrophobicContact CB-CZ 3.99Å; I995-F1051 HydrophobicContact CD1-CB 3.35Å; I995-F1051 HydrophobicContact CD1-CD1 3.43Å; I995-F1051 VanDerWaalsContact CD1-CD1 3.43Å; I995-F1051 HydrophobicContact CD1-CD2 3.05Å; I995-F1051 HydrophobicContact CD1-CE1 3.85Å; I995-F1051 HydrophobicContact CD1-CE2 3.5Å; I995-F1051 VanDerWaalsContact CD1-CE2 3.5Å; I995-F1051 HydrophobicContact CD1-CG 2.97Å; I995-F1051 HydrophobicContact CD1-CZ 3.85Å; I995-F1051 HydrophobicContact CG1-CD2 4.49Å; I995-F1051 HydrophobicContact CG1-CG 4.46Å; I1047-F1051 WeakPolarHBondContact O-CB 3.29Å; I1047-F1051 PolarHBondContact O-N 3.16Å; I1047-F1051 VanDerWaalsContact O-N 3.12Å; D1049-F1051 VanDerWaalsContact C-N 3.32Å; D1049-F1051 PolarHBondContact O-N 3.28Å; F1051-E1053 VanDerWaalsContact C-N 3.34Å; F1051-E1053 PolarHBondContact O-N 3.12Å; F1051-N1054 PolarHBondContact O-N 3.42Å; F1051-L1055 HydrophobicContact CD1-CD1 3.78Å; F1051-L1055 HydrophobicContact CD2-CD1 3.93Å; F1051-L1055 HydrophobicContact CE1-CD1 3.43Å; F1051-L1055 VanDerWaalsContact CE1-CD1 3.43Å; F1051-L1055 HydrophobicContact CE2-CD1 3.61Å; F1051-L1055 HydrophobicContact CG-CD1 4.04Å; F1051-L1055 HydrophobicContact CZ-CD1 3.38Å; F1051-L1055 WeakPolarHBondContact O-CD1 3.3Å; F1051-L1055 PolarHBondContact O-N 3.21Å; F1051-L1055 VanDerWaalsContact O-N 3.09Å; F1051-L1072 HydrophobicContact CD1-CD1 4.23Å; F1051-L1072 HydrophobicContact CE1-CD1 3.64Å |
| 1052 | L | 81.7 | Confident | 75.6 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -33.7 | -177 | -72.3 | 170.7 | 0 | 0 | 0 | 112.3 | L1048 D1049 R1056 L1072 N1073 R1076 | L1048-L1052 HydrophobicContact CD1-CD1 4.04Å; L1048-L1052 HydrophobicContact CD1-CG 4.3Å; L1048-L1052 HydrophobicContact CG-CD1 3.97Å; L1048-L1052 WeakPolarHBondContact O-CB 3.48Å; L1048-L1052 VanDerWaalsContact O-CG 3.29Å; L1048-L1052 WeakPolarHBondContact O-CG 3.47Å; L1048-L1052 PolarHBondContact O-N 3.24Å; D1049-L1052 PolarHBondContact O-N 2.92Å; L1052-R1056 WeakPolarHBondContact O-CB 3.36Å; L1052-R1056 PolarHBondContact O-N 2.95Å; L1052-L1072 HydrophobicContact CD2-CB 4.06Å; L1052-N1073 HydrophobicContact CD1-CB 4.35Å; L1052-R1076 HydrophobicContact CD1-CB 3.88Å; L1052-R1076 HydrophobicContact CD1-CG 4.37Å |
| 1053 | E | 77.1 | Confident | 75.2 | Confident | 124 Ų | 124 | 39.7 Ų | 39.7 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -70.1 | -44.6 | 174 | -72.6 | -155.6 | 158.1 | 0 | 0 | 112.6 | D1049 F1051 L1055 R1056 S1057 | D1049-E1053 WeakPolarHBondContact O-CB 3.15Å; D1049-E1053 WeakPolarHBondContact O-CG 2.77Å; D1049-E1053 PolarHBondContact O-N 2.94Å; F1051-E1053 VanDerWaalsContact C-N 3.34Å; F1051-E1053 PolarHBondContact O-N 3.12Å; E1053-L1055 PolarHBondContact O-N 2.6Å; E1053-R1056 PolarHBondContact O-N 3.15Å; E1053-S1057 PolarHBondContact O-N 3.2Å |
| 1054 | N | 74.7 | Confident | 74.6 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56 | -42.5 | 174.5 | -74.6 | -15.9 | 0 | 0 | 0 | 111.1 | H1050 F1051 S1057 E1058 | H1050-N1054 PolarHBondContact CD2-ND2 2.86Å; H1050-N1054 VanDerWaalsContact CD2-ND2 3.3Å; H1050-N1054 PolarHBondContact NE2-ND2 3.22Å; H1050-N1054 VanDerWaalsContact NE2-ND2 3.16Å; H1050-N1054 WeakPolarHBondContact O-CB 3.24Å; H1050-N1054 PolarHBondContact O-N 3.13Å; H1050-N1054 VanDerWaalsContact O-N 3.08Å; H1050-N1054 PolarHBondContact O-ND2 3.04Å; F1051-N1054 PolarHBondContact O-N 3.42Å; N1054-S1057 PolarHBondContact O-N 2.99Å; N1054-S1057 PolarHBondContact O-OG 3.09Å; N1054-E1058 PolarHBondContact O-N 2.74Å; N1054-E1058 VanDerWaalsContact O-N 3.11Å |
| 1055 | L | 68.9 | Low | 73.9 | Confident | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.5 | -96.3 | 145.2 | 0 | 0 | 0 | 115.2 | W988 F1051 E1053 S1057 E1058 F1059 V1063 | W988-L1055 HydrophobicContact CB-CD2 4.39Å; W988-L1055 HydrophobicContact CD2-CD2 4.22Å; W988-L1055 HydrophobicContact CG-CD1 4.42Å; W988-L1055 HydrophobicContact CG-CD2 3.64Å; W988-L1055 HydrophobicContact CG-CG 4.47Å; F1051-L1055 HydrophobicContact CD1-CD1 3.78Å; F1051-L1055 HydrophobicContact CD2-CD1 3.93Å; F1051-L1055 HydrophobicContact CE1-CD1 3.43Å; F1051-L1055 VanDerWaalsContact CE1-CD1 3.43Å; F1051-L1055 HydrophobicContact CE2-CD1 3.61Å; F1051-L1055 HydrophobicContact CG-CD1 4.04Å; F1051-L1055 HydrophobicContact CZ-CD1 3.38Å; F1051-L1055 WeakPolarHBondContact O-CD1 3.3Å; F1051-L1055 PolarHBondContact O-N 3.21Å; F1051-L1055 VanDerWaalsContact O-N 3.09Å; E1053-L1055 PolarHBondContact O-N 2.6Å; L1055-S1057 PolarHBondContact O-N 3.09Å; L1055-E1058 PolarHBondContact O-N 3Å; L1055-E1058 VanDerWaalsContact O-N 3.16Å; L1055-F1059 HydrophobicContact CD2-CD2 4.34Å; L1055-F1059 PolarHBondContact O-N 3.5Å; L1055-V1063 HydrophobicContact CB-CG1 4.26Å; L1055-V1063 HydrophobicContact CD2-CG1 4.34Å; L1055-V1063 VanDerWaalsContact O-CG1 3.31Å; L1055-V1063 WeakPolarHBondContact O-CG1 3.49Å |
| 1056 | R | 74.7 | Confident | 73.1 | Confident | 142 Ų | 142 | 48.3 Ų | 48.3 | 54% | 0.536 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.3 | -32.4 | 177.7 | -171.9 | -180 | -176.4 | -167.2 | -1.6 | 110.8 | L1052 E1053 P1060 | L1052-R1056 WeakPolarHBondContact O-CB 3.36Å; L1052-R1056 PolarHBondContact O-N 2.95Å; E1053-R1056 PolarHBondContact O-N 3.15Å; R1056-P1060 WeakPolarHBondContact O-CA 3.31Å |
| 1057 | S | 68.6 | Low | 72.4 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 59% | 0.594 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -70.6 | -35.6 | 174.5 | 83.2 | 0 | 0 | 0 | 0 | 113 | E1053 N1054 L1055 | E1053-S1057 PolarHBondContact O-N 3.2Å; N1054-S1057 PolarHBondContact O-N 2.99Å; N1054-S1057 PolarHBondContact O-OG 3.09Å; L1055-S1057 PolarHBondContact O-N 3.09Å |
| 1058 | E | 64.1 | Low | 71.9 | Confident | 106 Ų | 106 | 51.9 Ų | 51.9 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -80.9 | -33.8 | 180 | -72.4 | -166.8 | 166.9 | 0 | 0 | 113.7 | N1054 L1055 | N1054-E1058 PolarHBondContact O-N 2.74Å; N1054-E1058 VanDerWaalsContact O-N 3.11Å; L1055-E1058 PolarHBondContact O-N 3Å; L1055-E1058 VanDerWaalsContact O-N 3.16Å |
| 1059 | F | 66.5 | Low | 71.6 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | trans | -136.2 | 57.8 | -175.1 | -56.8 | -73.2 | 0 | 0 | 0 | 114.5 | L981 Q984 L1055 S1061 Y1062 V1063 | L981-F1059 HydrophobicContact CD1-CD1 3.59Å; L981-F1059 HydrophobicContact CD1-CE1 3.41Å; L981-F1059 VanDerWaalsContact CD1-CE1 3.41Å; L981-F1059 HydrophobicContact CD1-CZ 4.36Å; Q984-F1059 HydrophobicContact CB-CE1 4.31Å; Q984-F1059 HydrophobicContact CB-CE2 4Å; Q984-F1059 HydrophobicContact CB-CZ 3.35Å; Q984-F1059 VanDerWaalsContact CD-CZ 3.49Å; Q984-F1059 HydrophobicContact CG-CZ 4Å; Q984-F1059 VanDerWaalsContact OE1-CZ 3.3Å; L1055-F1059 HydrophobicContact CD2-CD2 4.34Å; L1055-F1059 PolarHBondContact O-N 3.5Å; F1059-S1061 PolarHBondContact O-N 2.94Å; F1059-Y1062 PolarHBondContact O-N 3.01Å; F1059-V1063 HydrophobicContact CB-CG1 3.85Å; F1059-V1063 WeakPolarHBondContact O-CG1 3.45Å; F1059-V1063 WeakPolarHBondContact O-CG2 3.45Å; F1059-V1063 PolarHBondContact O-N 2.85Å | ||
| 1060 | P | 64.4 | Low | 71.3 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28 | -167.9 | 18.7 | -31.2 | 0 | 0 | 0 | 115.1 | R1056 Y1064 | R1056-P1060 WeakPolarHBondContact O-CA 3.31Å; P1060-Y1064 VanDerWaalsContact O-CE2 3.3Å; P1060-Y1064 WeakPolarHBondContact O-CE2 3.42Å |
| 1061 | S | 64 | Low | 71.1 | Confident | 38 Ų | 38 | 54.6 Ų | 54.6 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -17.2 | -179.8 | 39 | 0 | 0 | 0 | 0 | 115.2 | I879 G881 F1059 | I879-S1061 PolarHBondContact O-OG 3Å; G881-S1061 WeakPolarHBondContact CA-OG 3.44Å; G881-S1061 PolarHBondContact N-OG 3.18Å; F1059-S1061 PolarHBondContact O-N 2.94Å |
| 1062 | Y | 70.6 | Confident | 71.1 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -23.4 | -177.9 | -165.2 | -92.3 | 0 | 0 | 0 | 112.9 | L954 L985 F1059 Y1064 R1065 V1066 | L954-Y1062 HydrophobicContact CD1-CE2 4.34Å; L985-Y1062 HydrophobicContact CD1-CE1 3.69Å; L985-Y1062 HydrophobicContact CD2-CD1 3.99Å; L985-Y1062 HydrophobicContact CD2-CE1 3.65Å; L985-Y1062 HydrophobicContact CG-CE1 4.28Å; F1059-Y1062 PolarHBondContact O-N 3.01Å; Y1062-Y1064 VanDerWaalsContact C-N 3.26Å; Y1062-Y1064 PolarHBondContact O-N 2.78Å; Y1062-Y1064 VanDerWaalsContact O-N 3.13Å; Y1062-R1065 WeakPolarHBondContact O-CB 3.44Å; Y1062-R1065 PolarHBondContact O-N 3.43Å; Y1062-V1066 HydrophobicContact CD1-CG2 3.93Å; Y1062-V1066 HydrophobicContact CE1-CG2 4.03Å |
| 1063 | V | 68.8 | Low | 71.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -53.2 | -37.3 | -177.6 | -78 | 0 | 0 | 0 | 0 | 114.3 | L1055 F1059 R1065 V1066 W1069 | L1055-V1063 HydrophobicContact CB-CG1 4.26Å; L1055-V1063 HydrophobicContact CD2-CG1 4.34Å; L1055-V1063 VanDerWaalsContact O-CG1 3.31Å; L1055-V1063 WeakPolarHBondContact O-CG1 3.49Å; F1059-V1063 HydrophobicContact CB-CG1 3.85Å; F1059-V1063 WeakPolarHBondContact O-CG1 3.45Å; F1059-V1063 WeakPolarHBondContact O-CG2 3.45Å; F1059-V1063 PolarHBondContact O-N 2.85Å; V1063-R1065 PolarHBondContact O-N 3.11Å; V1063-V1066 PolarHBondContact O-N 3.06Å; V1063-W1069 HydrophobicContact CB-CG 4.32Å; V1063-W1069 VanDerWaalsContact O-CB 3.24Å; V1063-W1069 WeakPolarHBondContact O-CB 3.29Å; V1063-W1069 VanDerWaalsContact O-CG 3.28Å |
| 1064 | Y | 68.6 | Low | 71.4 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -68.3 | -15.6 | -179.6 | -54.9 | -76.6 | 0 | 0 | 0 | 113.6 | P1060 Y1062 W1069 | P1060-Y1064 VanDerWaalsContact O-CE2 3.3Å; P1060-Y1064 WeakPolarHBondContact O-CE2 3.42Å; Y1062-Y1064 VanDerWaalsContact C-N 3.26Å; Y1062-Y1064 PolarHBondContact O-N 2.78Å; Y1062-Y1064 VanDerWaalsContact O-N 3.13Å; Y1064-W1069 HydrophobicContact CD1-CE3 4.2Å; Y1064-W1069 AromaticContact CD1-CH2 3.31Å; Y1064-W1069 HydrophobicContact CD1-CH2 3.31Å; Y1064-W1069 AromaticContact CD1-CZ2 3.74Å; Y1064-W1069 HydrophobicContact CD1-CZ2 3.74Å; Y1064-W1069 AromaticContact CD1-CZ3 3.56Å; Y1064-W1069 HydrophobicContact CD1-CZ3 3.56Å; Y1064-W1069 AromaticContact CE1-CH2 3.38Å; Y1064-W1069 HydrophobicContact CE1-CH2 3.38Å; Y1064-W1069 AromaticContact CE1-CZ2 3.55Å; Y1064-W1069 HydrophobicContact CE1-CZ2 3.55Å; Y1064-W1069 HydrophobicContact CE1-CZ3 4.13Å |
| 1065 | R | 66.6 | Low | 71.9 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 37% | 0.37 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -91.3 | -7 | -178.2 | -56 | -176.8 | -176.6 | -162.1 | -5.7 | 113 | N947 P949 Y1062 V1063 | N947-R1065 PolarHBondContact O-NH1 2.95Å; N947-R1065 VanDerWaalsContact O-NH1 3.11Å; N947-R1065 PolarHBondContact O-NH2 3.19Å; P949-R1065 VanDerWaalsContact CD-NH1 3.29Å; Y1062-R1065 WeakPolarHBondContact O-CB 3.44Å; Y1062-R1065 PolarHBondContact O-N 3.43Å; V1063-R1065 PolarHBondContact O-N 3.11Å |
| 1066 | V | 68 | Low | 72.7 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -98.3 | 129.1 | -175.6 | -137.8 | 0 | 0 | 0 | 0 | 111.1 | L985 W988 Y1062 V1063 E1068 W1069 | L985-V1066 HydrophobicContact CD2-CG2 4.38Å; W988-V1066 HydrophobicContact CE3-CB 4.47Å; W988-V1066 HydrophobicContact CE3-CG1 3.74Å; W988-V1066 HydrophobicContact CH2-CB 3.29Å; W988-V1066 HydrophobicContact CH2-CG1 3.15Å; W988-V1066 HydrophobicContact CH2-CG2 4.25Å; W988-V1066 HydrophobicContact CZ2-CB 4.05Å; W988-V1066 HydrophobicContact CZ2-CG1 4.24Å; W988-V1066 HydrophobicContact CZ3-CB 3.64Å; W988-V1066 HydrophobicContact CZ3-CG1 2.91Å; W988-V1066 HydrophobicContact CZ3-CG2 4.43Å; Y1062-V1066 HydrophobicContact CD1-CG2 3.93Å; Y1062-V1066 HydrophobicContact CE1-CG2 4.03Å; V1063-V1066 PolarHBondContact O-N 3.06Å; V1066-E1068 VanDerWaalsContact C-N 3.33Å; V1066-E1068 PolarHBondContact O-N 2.9Å; V1066-W1069 WeakPolarHBondContact O-CB 3.09Å; V1066-W1069 PolarHBondContact O-N 2.92Å; V1066-W1069 VanDerWaalsContact O-N 3.15Å |
| 1067 | S | 67.1 | Low | 73.1 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 58% | 0.58 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -57.8 | -41.6 | -167.9 | 28.1 | 0 | 0 | 0 | 0 | 113.7 | W1069 | S1067-W1069 VanDerWaalsContact C-N 3.32Å; S1067-W1069 PolarHBondContact O-N 3.32Å |
| 1068 | E | 70.5 | Confident | 73.8 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.9 | -26.7 | -175.9 | -57.3 | 74.9 | 174.9 | 0 | 0 | 111.1 | W988 H989 V1066 S1071 L1072 M1159 | W988-E1068 HydrophobicContact CH2-CB 3.48Å; W988-E1068 VanDerWaalsContact CH2-CB 3.48Å; W988-E1068 HydrophobicContact CH2-CG 4.11Å; W988-E1068 VanDerWaalsContact CH2-OE2 3.25Å; W988-E1068 WeakPolarHBondContact CH2-OE2 3.38Å; W988-E1068 HydrophobicContact CZ2-CB 3.86Å; W988-E1068 HydrophobicContact CZ3-CB 4.26Å; W988-E1068 HydrophobicContact CZ3-CG 4.43Å; W988-E1068 VanDerWaalsContact CZ3-OE2 3.3Å; W988-E1068 WeakPolarHBondContact CZ3-OE2 3.35Å; H989-E1068 IonicContact CE1-OE1 2.8Å; H989-E1068 PolarHBondContact CE1-OE1 2.84Å; H989-E1068 IonicContact CE1-OE2 3.9Å; H989-E1068 IonicContact ND1-OE1 3.48Å; H989-E1068 PolarHBondContact ND1-OE1 2.95Å; H989-E1068 IonicContact ND1-OE2 2.67Å; V1066-E1068 VanDerWaalsContact C-N 3.33Å; V1066-E1068 PolarHBondContact O-N 2.9Å; E1068-S1071 PolarHBondContact O-N 3.39Å; E1068-L1072 VanDerWaalsContact O-CB 3.31Å; E1068-L1072 WeakPolarHBondContact O-CB 3.26Å; E1068-L1072 VanDerWaalsContact O-CG 3.31Å; E1068-L1072 WeakPolarHBondContact O-CG 3.43Å; E1068-L1072 PolarHBondContact O-N 3.41Å; E1068-M1159 HydrophobicContact CG-CE 4.1Å; E1068-M1159 HydrophobicContact CG-SD 3.53Å; E1068-M1159 VanDerWaalsContact CG-SD 3.53Å |
| 1069 | W | 77.3 | Confident | 74.9 | Confident | 27 Ų | 27 | 35.3 Ų | 35.3 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62 | -47.6 | 177.6 | -179.1 | 91.1 | 0 | 0 | 0 | 111.2 | W988 V1063 Y1064 V1066 S1067 S1071 L1072 N1073 | W988-W1069 HydrophobicContact CZ2-CB 4.2Å; V1063-W1069 HydrophobicContact CB-CG 4.32Å; V1063-W1069 VanDerWaalsContact O-CB 3.24Å; V1063-W1069 WeakPolarHBondContact O-CB 3.29Å; V1063-W1069 VanDerWaalsContact O-CG 3.28Å; Y1064-W1069 HydrophobicContact CD1-CE3 4.2Å; Y1064-W1069 AromaticContact CD1-CH2 3.31Å; Y1064-W1069 HydrophobicContact CD1-CH2 3.31Å; Y1064-W1069 AromaticContact CD1-CZ2 3.74Å; Y1064-W1069 HydrophobicContact CD1-CZ2 3.74Å; Y1064-W1069 AromaticContact CD1-CZ3 3.56Å; Y1064-W1069 HydrophobicContact CD1-CZ3 3.56Å; Y1064-W1069 AromaticContact CE1-CH2 3.38Å; Y1064-W1069 HydrophobicContact CE1-CH2 3.38Å; Y1064-W1069 AromaticContact CE1-CZ2 3.55Å; Y1064-W1069 HydrophobicContact CE1-CZ2 3.55Å; Y1064-W1069 HydrophobicContact CE1-CZ3 4.13Å; V1066-W1069 WeakPolarHBondContact O-CB 3.09Å; V1066-W1069 PolarHBondContact O-N 2.92Å; V1066-W1069 VanDerWaalsContact O-N 3.15Å; S1067-W1069 VanDerWaalsContact C-N 3.32Å; S1067-W1069 PolarHBondContact O-N 3.32Å; W1069-S1071 VanDerWaalsContact C-N 3.3Å; W1069-S1071 PolarHBondContact O-N 2.83Å; W1069-L1072 PolarHBondContact O-N 2.89Å; W1069-N1073 HydrophobicContact CD2-CB 4.41Å; W1069-N1073 HydrophobicContact CH2-CB 4.38Å; W1069-N1073 WeakPolarHBondContact CH2-ND2 3.42Å; W1069-N1073 HydrophobicContact CZ2-CB 4.32Å; W1069-N1073 HydrophobicContact CZ3-CB 4.48Å; W1069-N1073 WeakPolarHBondContact O-CB 3.49Å; W1069-N1073 PolarHBondContact O-N 3.2Å |
| 1070 | N | 73.7 | Confident | 75.8 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 179 | -72.8 | -49.8 | 0 | 0 | 0 | 111.2 | F1074 | N1070-F1074 WeakPolarHBondContact O-CB 3.43Å; N1070-F1074 PolarHBondContact O-N 3.44Å |
| 1071 | S | 75.3 | Confident | 76.9 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 26% | 0.259 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.7 | -45.4 | -179.7 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | E1068 W1069 F1074 L1075 L1163 | E1068-S1071 PolarHBondContact O-N 3.39Å; W1069-S1071 VanDerWaalsContact C-N 3.3Å; W1069-S1071 PolarHBondContact O-N 2.83Å; S1071-F1074 PolarHBondContact O-N 3.44Å; S1071-L1075 WeakPolarHBondContact O-CB 3.43Å; S1071-L1075 PolarHBondContact O-N 2.7Å; S1071-L1163 VanDerWaalsContact CB-CD2 3.45Å |
| 1072 | L | 81.5 | Confident | 77.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.7 | -39.1 | 178.8 | -72.7 | 175.5 | 0 | 0 | 0 | 111.6 | A992 I996 L1048 F1051 L1052 E1068 W1069 F1074 L1075 R1076 | A992-L1072 HydrophobicContact CB-CD1 4.22Å; I996-L1072 HydrophobicContact CD1-CD2 4.46Å; I996-L1072 HydrophobicContact CG1-CD2 3.99Å; L1048-L1072 HydrophobicContact CD1-CB 4.04Å; L1048-L1072 HydrophobicContact CD1-CD2 3.96Å; L1048-L1072 HydrophobicContact CD1-CG 4.49Å; F1051-L1072 HydrophobicContact CD1-CD1 4.23Å; F1051-L1072 HydrophobicContact CE1-CD1 3.64Å; L1052-L1072 HydrophobicContact CD2-CB 4.06Å; E1068-L1072 VanDerWaalsContact O-CB 3.31Å; E1068-L1072 WeakPolarHBondContact O-CB 3.26Å; E1068-L1072 VanDerWaalsContact O-CG 3.31Å; E1068-L1072 WeakPolarHBondContact O-CG 3.43Å; E1068-L1072 PolarHBondContact O-N 3.41Å; W1069-L1072 PolarHBondContact O-N 2.89Å; L1072-F1074 VanDerWaalsContact C-N 3.34Å; L1072-L1075 WeakPolarHBondContact O-CB 3.13Å; L1072-L1075 PolarHBondContact O-N 3.03Å; L1072-R1076 PolarHBondContact O-N 2.6Å |
| 1073 | N | 81.8 | Confident | 78.5 | Confident | 23 Ų | 23 | 36.5 Ų | 36.5 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.9 | -175.4 | 43.8 | 0 | 0 | 0 | 111.8 | L1052 W1069 R1076 H1077 | L1052-N1073 HydrophobicContact CD1-CB 4.35Å; W1069-N1073 HydrophobicContact CD2-CB 4.41Å; W1069-N1073 HydrophobicContact CH2-CB 4.38Å; W1069-N1073 WeakPolarHBondContact CH2-ND2 3.42Å; W1069-N1073 HydrophobicContact CZ2-CB 4.32Å; W1069-N1073 HydrophobicContact CZ3-CB 4.48Å; W1069-N1073 WeakPolarHBondContact O-CB 3.49Å; W1069-N1073 PolarHBondContact O-N 3.2Å; N1073-R1076 WeakPolarHBondContact O-CB 3.16Å; N1073-R1076 PolarHBondContact O-N 2.84Å; N1073-R1076 PolarHBondContact OD1-NE 3.39Å; N1073-R1076 PolarHBondContact OD1-NH2 2.84Å; N1073-H1077 PolarHBondContact O-CD2 3.34Å; N1073-H1077 PolarHBondContact O-N 2.7Å; N1073-H1077 VanDerWaalsContact O-N 3.14Å |
| 1074 | F | 83.7 | Confident | 79 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.096 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.4 | -41.2 | 173.4 | -175.1 | -113.2 | 0 | 0 | 0 | 112 | N1070 S1071 L1072 R1076 H1077 A1078 I1111 Q1114 L1115 I1118 M1167 | N1070-F1074 WeakPolarHBondContact O-CB 3.43Å; N1070-F1074 PolarHBondContact O-N 3.44Å; S1071-F1074 PolarHBondContact O-N 3.44Å; L1072-F1074 VanDerWaalsContact C-N 3.34Å; F1074-R1076 VanDerWaalsContact C-N 3.3Å; F1074-R1076 PolarHBondContact O-N 3.26Å; F1074-H1077 PolarHBondContact O-N 2.91Å; F1074-A1078 PolarHBondContact O-N 2.84Å; F1074-A1078 VanDerWaalsContact O-N 3.09Å; F1074-I1111 HydrophobicContact CE2-CG2 4.38Å; F1074-I1111 HydrophobicContact CZ-CG2 4.11Å; F1074-Q1114 HydrophobicContact CE1-CB 4.29Å; F1074-Q1114 HydrophobicContact CE2-CB 3.65Å; F1074-Q1114 HydrophobicContact CE2-CG 4.4Å; F1074-Q1114 HydrophobicContact CZ-CB 3.35Å; F1074-L1115 HydrophobicContact CD1-CD2 4.25Å; F1074-L1115 HydrophobicContact CE1-CB 4.33Å; F1074-L1115 HydrophobicContact CE1-CD2 3.5Å; F1074-L1115 HydrophobicContact CE1-CG 3.51Å; F1074-L1115 HydrophobicContact CZ-CD2 4.31Å; F1074-L1115 HydrophobicContact CZ-CG 3.82Å; F1074-I1118 HydrophobicContact CD1-CD1 3.64Å; F1074-I1118 HydrophobicContact CE1-CD1 3.55Å; F1074-I1118 HydrophobicContact CZ-CD1 4.41Å; F1074-M1167 HydrophobicContact CD1-CE 4.45Å |
| 1075 | L | 84.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 172.6 | -178.1 | 63.4 | 0 | 0 | 0 | 112.2 | L999 L1048 S1071 L1072 A1078 L1079 I1166 V1170 | L999-L1075 HydrophobicContact CD1-CD2 3.89Å; L1048-L1075 HydrophobicContact CD2-CB 4.18Å; L1048-L1075 HydrophobicContact CD2-CD2 4.21Å; L1048-L1075 HydrophobicContact CD2-CG 4Å; S1071-L1075 WeakPolarHBondContact O-CB 3.43Å; S1071-L1075 PolarHBondContact O-N 2.7Å; L1072-L1075 WeakPolarHBondContact O-CB 3.13Å; L1072-L1075 PolarHBondContact O-N 3.03Å; L1075-A1078 PolarHBondContact O-N 2.87Å; L1075-L1079 HydrophobicContact CD1-CD1 4.42Å; L1075-L1079 HydrophobicContact CD1-CG 4.35Å; L1075-L1079 HydrophobicContact CG-CD1 4.08Å; L1075-L1079 HydrophobicContact CG-CG 4.45Å; L1075-L1079 WeakPolarHBondContact O-CB 3.22Å; L1075-L1079 WeakPolarHBondContact O-CG 3.47Å; L1075-L1079 PolarHBondContact O-N 3.33Å; L1075-I1166 HydrophobicContact CD1-CG2 3.76Å; L1075-I1166 HydrophobicContact CD2-CG2 3.9Å; L1075-V1170 HydrophobicContact CD1-CG2 3.94Å |
| 1076 | R | 86 | Confident | 80.1 | Confident | 46 Ų | 46 | 31.1 Ų | 31.1 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 173.2 | 175.4 | -173.4 | 65.1 | 156.8 | 9.1 | 111.6 | L1045 L1048 D1049 L1052 L1072 N1073 F1074 A1078 L1079 R1080 | L1045-R1076 HydrophobicContact CD1-CG 4.09Å; L1048-R1076 HydrophobicContact CD2-CB 3.76Å; L1048-R1076 HydrophobicContact CG-CB 4.09Å; D1049-R1076 WeakPolarHBondContact OD1-CD 3.24Å; D1049-R1076 VanDerWaalsContact OD1-CG 3.27Å; D1049-R1076 WeakPolarHBondContact OD1-CG 3.42Å; L1052-R1076 HydrophobicContact CD1-CB 3.88Å; L1052-R1076 HydrophobicContact CD1-CG 4.37Å; L1072-R1076 PolarHBondContact O-N 2.6Å; N1073-R1076 WeakPolarHBondContact O-CB 3.16Å; N1073-R1076 PolarHBondContact O-N 2.84Å; N1073-R1076 PolarHBondContact OD1-NE 3.39Å; N1073-R1076 PolarHBondContact OD1-NH2 2.84Å; F1074-R1076 VanDerWaalsContact C-N 3.3Å; F1074-R1076 PolarHBondContact O-N 3.26Å; R1076-A1078 VanDerWaalsContact C-N 3.33Å; R1076-A1078 PolarHBondContact O-N 2.92Å; R1076-L1079 PolarHBondContact O-N 3.17Å; R1076-R1080 VanDerWaalsContact O-CB 3.23Å; R1076-R1080 WeakPolarHBondContact O-CB 3.49Å; R1076-R1080 PolarHBondContact O-N 3.15Å |
| 1077 | H | 82.9 | Confident | 80.2 | Confident | 60 Ų | 60 | 36.9 Ų | 36.9 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 177.7 | -73.9 | -69.1 | 0 | 0 | 0 | 112.2 | N1073 F1074 R1080 W1081 | N1073-H1077 PolarHBondContact O-CD2 3.34Å; N1073-H1077 PolarHBondContact O-N 2.7Å; N1073-H1077 VanDerWaalsContact O-N 3.14Å; F1074-H1077 PolarHBondContact O-N 2.91Å; H1077-R1080 PolarHBondContact O-N 3.06Å; H1077-W1081 PolarHBondContact O-N 3.1Å |
| 1078 | A | 85 | Confident | 80.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1074 L1075 R1076 W1081 L1082 I1111 L1115 V1170 M1174 | F1074-A1078 PolarHBondContact O-N 2.84Å; F1074-A1078 VanDerWaalsContact O-N 3.09Å; L1075-A1078 PolarHBondContact O-N 2.87Å; R1076-A1078 VanDerWaalsContact C-N 3.33Å; R1076-A1078 PolarHBondContact O-N 2.92Å; A1078-W1081 PolarHBondContact O-N 3.14Å; A1078-L1082 PolarHBondContact O-N 2.94Å; A1078-I1111 HydrophobicContact CB-CG2 3.88Å; A1078-L1115 HydrophobicContact CB-CD1 4.28Å; A1078-V1170 HydrophobicContact CB-CG1 3.65Å; A1078-M1174 HydrophobicContact CB-SD 3.82Å |
| 1079 | L | 85.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 175 | -75.9 | 172.2 | 0 | 0 | 0 | 111.9 | I1003 A1044 L1045 L1048 L1075 R1076 W1081 L1082 C1083 V1170 | I1003-L1079 HydrophobicContact CD1-CD2 4.47Å; A1044-L1079 HydrophobicContact CB-CD1 4.09Å; L1045-L1079 HydrophobicContact CB-CB 4.47Å; L1045-L1079 HydrophobicContact CD1-CB 4.22Å; L1048-L1079 HydrophobicContact CD2-CD1 3.91Å; L1075-L1079 HydrophobicContact CD1-CD1 4.42Å; L1075-L1079 HydrophobicContact CD1-CG 4.35Å; L1075-L1079 HydrophobicContact CG-CD1 4.08Å; L1075-L1079 HydrophobicContact CG-CG 4.45Å; L1075-L1079 WeakPolarHBondContact O-CB 3.22Å; L1075-L1079 WeakPolarHBondContact O-CG 3.47Å; L1075-L1079 PolarHBondContact O-N 3.33Å; R1076-L1079 PolarHBondContact O-N 3.17Å; L1079-W1081 VanDerWaalsContact C-N 3.33Å; L1079-W1081 PolarHBondContact O-N 3.37Å; L1079-L1082 PolarHBondContact O-N 2.99Å; L1079-C1083 WeakPolarHBondContact O-CB 3.44Å; L1079-C1083 PolarHBondContact O-N 3.17Å; L1079-C1083 PolarHBondContact O-SG 3.09Å; L1079-V1170 HydrophobicContact CD2-CG2 4.44Å |
| 1080 | R | 86 | Confident | 79.6 | Confident | 136 Ų | 136 | 42.7 Ų | 42.7 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 176 | -173.2 | 172.4 | -179.5 | 170 | 1.1 | 111.8 | L1045 R1076 H1077 C1083 I1084 | L1045-R1080 HydrophobicContact CD1-CB 4.11Å; L1045-R1080 HydrophobicContact CD2-CB 4.33Å; R1076-R1080 VanDerWaalsContact O-CB 3.23Å; R1076-R1080 WeakPolarHBondContact O-CB 3.49Å; R1076-R1080 PolarHBondContact O-N 3.15Å; H1077-R1080 PolarHBondContact O-N 3.06Å; R1080-C1083 PolarHBondContact O-N 2.94Å; R1080-I1084 HydrophobicContact CG-CD1 4.07Å; R1080-I1084 VanDerWaalsContact O-CG1 3.3Å; R1080-I1084 WeakPolarHBondContact O-CG1 3.45Å; R1080-I1084 PolarHBondContact O-N 3.12Å |
| 1081 | W | 88.7 | Confident | 78.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -41.3 | 173.1 | -170 | 98.2 | 0 | 0 | 0 | 111.6 | H1077 A1078 L1079 Y1085 Y1104 F1107 I1111 M1174 L1178 L1181 | H1077-W1081 PolarHBondContact O-N 3.1Å; A1078-W1081 PolarHBondContact O-N 3.14Å; L1079-W1081 VanDerWaalsContact C-N 3.33Å; L1079-W1081 PolarHBondContact O-N 3.37Å; W1081-Y1085 WeakPolarHBondContact O-CB 3.45Å; W1081-Y1085 PolarHBondContact O-N 3Å; W1081-Y1085 VanDerWaalsContact O-N 3.1Å; W1081-Y1104 AromaticContact CD1-CZ 3.79Å; W1081-Y1104 HydrophobicContact CD2-CE1 4.32Å; W1081-Y1104 AromaticContact CE2-CE1 3.67Å; W1081-Y1104 HydrophobicContact CZ2-CD1 4.48Å; W1081-Y1104 AromaticContact CZ2-CE1 3.96Å; W1081-Y1104 HydrophobicContact CZ2-CE1 3.96Å; W1081-Y1104 AromaticContact NE1-CD1 3.92Å; W1081-Y1104 AromaticContact NE1-CE1 3.53Å; W1081-Y1104 AromaticContact NE1-CZ 3.68Å; W1081-Y1104 PolarHBondContact NE1-O 2.78Å; W1081-Y1104 PolarHBondContact O-OH 3.27Å; W1081-F1107 AromaticContact CD1-CD1 3.84Å; W1081-I1111 HydrophobicContact CB-CD1 3.95Å; W1081-I1111 HydrophobicContact CG-CD1 4.21Å; W1081-M1174 HydrophobicContact CB-CE 4.29Å; W1081-M1174 HydrophobicContact CD2-CE 3.72Å; W1081-M1174 HydrophobicContact CE3-CE 3.58Å; W1081-M1174 HydrophobicContact CE3-CG 3.97Å; W1081-M1174 HydrophobicContact CE3-SD 4.4Å; W1081-M1174 HydrophobicContact CG-CE 4.03Å; W1081-M1174 HydrophobicContact CZ3-CB 4.3Å; W1081-M1174 HydrophobicContact CZ3-CE 4.17Å; W1081-M1174 HydrophobicContact CZ3-CG 4.12Å; W1081-L1178 HydrophobicContact CH2-CB 3.95Å; W1081-L1178 HydrophobicContact CH2-CD1 4.3Å; W1081-L1178 HydrophobicContact CZ2-CB 4.38Å; W1081-L1178 HydrophobicContact CZ2-CD1 3.87Å; W1081-L1181 HydrophobicContact CH2-CD1 4.07Å; W1081-L1181 HydrophobicContact CZ2-CD1 3.82Å |
| 1082 | L | 84.2 | Confident | 77.9 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.4 | -76 | 172.2 | 0 | 0 | 0 | 112.5 | A1078 L1079 Y1085 S1086 V1170 R1173 M1174 | A1078-L1082 PolarHBondContact O-N 2.94Å; L1079-L1082 PolarHBondContact O-N 2.99Å; L1082-Y1085 WeakPolarHBondContact O-CB 3.19Å; L1082-Y1085 PolarHBondContact O-N 3.46Å; L1082-S1086 PolarHBondContact O-N 3.32Å; L1082-S1086 PolarHBondContact O-OG 2.84Å; L1082-V1170 HydrophobicContact CD1-CG1 3.92Å; L1082-R1173 HydrophobicContact CD1-CB 4.28Å; L1082-R1173 HydrophobicContact CD2-CB 4.14Å; L1082-M1174 HydrophobicContact CD1-CG 4.06Å; L1082-M1174 HydrophobicContact CD2-CG 3.71Å; L1082-M1174 HydrophobicContact CG-CG 3.74Å |
| 1083 | C | 82.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | -179.9 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | L1045 L1079 R1080 Y1085 S1086 R1087 | L1045-C1083 HydrophobicContact CD2-CB 4.08Å; L1079-C1083 WeakPolarHBondContact O-CB 3.44Å; L1079-C1083 PolarHBondContact O-N 3.17Å; L1079-C1083 PolarHBondContact O-SG 3.09Å; R1080-C1083 PolarHBondContact O-N 2.94Å; C1083-Y1085 VanDerWaalsContact C-N 3.34Å; C1083-S1086 PolarHBondContact O-N 3.14Å; C1083-R1087 WeakPolarHBondContact O-CB 3.32Å; C1083-R1087 VanDerWaalsContact O-CG 3.23Å; C1083-R1087 WeakPolarHBondContact O-CG 3.29Å; C1083-R1087 PolarHBondContact O-N 3.15Å |
| 1084 | I | 78.9 | Confident | 75.3 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.6 | -66.3 | 163.8 | 0 | 0 | 0 | 110.5 | R1080 R1087 H1088 Y1104 | R1080-I1084 HydrophobicContact CG-CD1 4.07Å; R1080-I1084 VanDerWaalsContact O-CG1 3.3Å; R1080-I1084 WeakPolarHBondContact O-CG1 3.45Å; R1080-I1084 PolarHBondContact O-N 3.12Å; I1084-R1087 PolarHBondContact O-N 3.2Å; I1084-H1088 PolarHBondContact O-N 3.21Å; I1084-H1088 VanDerWaalsContact O-N 3.14Å; I1084-Y1104 HydrophobicContact CB-CE2 3.91Å; I1084-Y1104 WeakPolarHBondContact CB-OH 3.44Å; I1084-Y1104 HydrophobicContact CD1-CE2 4.26Å; I1084-Y1104 HydrophobicContact CG2-CD2 4.33Å; I1084-Y1104 HydrophobicContact CG2-CE2 3.39Å; I1084-Y1104 WeakPolarHBondContact CG2-OH 3.49Å |
| 1085 | Y | 82 | Confident | 74.3 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 174 | 171.7 | -99.8 | 0 | 0 | 0 | 111.3 | W1081 L1082 C1083 R1087 H1088 D1089 Y1104 S1177 N1180 L1181 | W1081-Y1085 WeakPolarHBondContact O-CB 3.45Å; W1081-Y1085 PolarHBondContact O-N 3Å; W1081-Y1085 VanDerWaalsContact O-N 3.1Å; L1082-Y1085 WeakPolarHBondContact O-CB 3.19Å; L1082-Y1085 PolarHBondContact O-N 3.46Å; C1083-Y1085 VanDerWaalsContact C-N 3.34Å; Y1085-R1087 VanDerWaalsContact C-N 3.29Å; Y1085-R1087 PolarHBondContact O-N 3.27Å; Y1085-H1088 PolarHBondContact O-N 3.35Å; Y1085-H1088 VanDerWaalsContact O-N 3.14Å; Y1085-D1089 HydrophobicContact CE1-CB 4.37Å; Y1085-D1089 WeakPolarHBondContact O-CB 3.41Å; Y1085-D1089 PolarHBondContact O-N 3.11Å; Y1085-Y1104 PolarHBondContact N-OH 3.21Å; Y1085-Y1104 VanDerWaalsContact N-OH 3.09Å; Y1085-S1177 VanDerWaalsContact CD1-CB 3.48Å; Y1085-S1177 WeakPolarHBondContact CD1-OG 3.37Å; Y1085-S1177 VanDerWaalsContact CE1-CB 3.43Å; Y1085-S1177 WeakPolarHBondContact CE1-OG 2.96Å; Y1085-N1180 WeakPolarHBondContact OH-CB 3.35Å; Y1085-N1180 PolarHBondContact OH-ND2 3.02Å; Y1085-L1181 HydrophobicContact CD2-CD1 3.58Å; Y1085-L1181 HydrophobicContact CD2-CD2 4.49Å; Y1085-L1181 HydrophobicContact CD2-CG 3.87Å; Y1085-L1181 HydrophobicContact CE2-CD1 4.07Å; Y1085-L1181 HydrophobicContact CE2-CG 3.86Å |
| 1086 | S | 76 | Confident | 73.5 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -34 | 179.7 | -68.1 | 0 | 0 | 0 | 0 | 113 | L1082 C1083 N1090 | L1082-S1086 PolarHBondContact O-N 3.32Å; L1082-S1086 PolarHBondContact O-OG 2.84Å; C1083-S1086 PolarHBondContact O-N 3.14Å; S1086-N1090 WeakPolarHBondContact O-CB 3.41Å; S1086-N1090 PolarHBondContact O-N 2.79Å; S1086-N1090 PolarHBondContact O-ND2 3.37Å; S1086-N1090 VanDerWaalsContact O-ND2 3.13Å |
| 1087 | R | 71.9 | Confident | 72.6 | Confident | 129 Ų | 129 | 58.6 Ų | 58.6 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 174 | -73.4 | 171.6 | -168.7 | -174.7 | 4.3 | 112 | D1042 C1083 I1084 Y1085 N1091 | D1042-R1087 IonicContact OD1-CZ 2.79Å; D1042-R1087 IonicContact OD1-NE 2.73Å; D1042-R1087 PolarHBondContact OD1-NE 2.77Å; D1042-R1087 IonicContact OD1-NH2 3.49Å; D1042-R1087 PolarHBondContact OD1-NH2 3.26Å; C1083-R1087 WeakPolarHBondContact O-CB 3.32Å; C1083-R1087 VanDerWaalsContact O-CG 3.23Å; C1083-R1087 WeakPolarHBondContact O-CG 3.29Å; C1083-R1087 PolarHBondContact O-N 3.15Å; I1084-R1087 PolarHBondContact O-N 3.2Å; Y1085-R1087 VanDerWaalsContact C-N 3.29Å; Y1085-R1087 PolarHBondContact O-N 3.27Å; R1087-N1091 WeakPolarHBondContact O-CB 3.37Å; R1087-N1091 PolarHBondContact O-N 3.21Å |
| 1088 | H | 69.5 | Low | 71.7 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.6 | -33.8 | 175.5 | -91.7 | -81.4 | 0 | 0 | 0 | 113.2 | I1084 Y1085 N1091 T1094 W1096 | I1084-H1088 PolarHBondContact O-N 3.21Å; I1084-H1088 VanDerWaalsContact O-N 3.14Å; Y1085-H1088 PolarHBondContact O-N 3.35Å; Y1085-H1088 VanDerWaalsContact O-N 3.14Å; H1088-N1091 CarbonylContact O-C 3.55Å; H1088-T1094 PolarHBondContact ND1-OG1 3.13Å; H1088-W1096 HydrophobicContact CB-CH2 4.38Å; H1088-W1096 HydrophobicContact CB-CZ2 3.53Å; H1088-W1096 AromaticContact CD2-CH2 3.66Å; H1088-W1096 AromaticContact CD2-CZ2 3.6Å; H1088-W1096 AromaticContact CG-CE2 3.64Å; H1088-W1096 AromaticContact CG-CH2 3.95Å; H1088-W1096 AromaticContact CG-CZ2 3.37Å; H1088-W1096 AromaticContact CG-NE1 3.99Å; H1088-W1096 AromaticContact ND1-CE2 3.58Å; H1088-W1096 AromaticContact ND1-CZ2 3.82Å; H1088-W1096 AromaticContact ND1-NE1 3.68Å |
| 1089 | D | 69.8 | Low | 70.6 | Confident | 95 Ų | 95 | 61.2 Ų | 61.2 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.4 | -36.5 | 178.7 | -161.3 | 45.4 | 0 | 0 | 0 | 111.9 | Y1085 | Y1085-D1089 HydrophobicContact CE1-CB 4.37Å; Y1085-D1089 WeakPolarHBondContact O-CB 3.41Å; Y1085-D1089 PolarHBondContact O-N 3.11Å |
| 1090 | N | 63 | Low | 69.7 | Low | 128 Ų | 128 | 68.3 Ų | 68.3 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -77.1 | -34.4 | 175.9 | -71.3 | -29.5 | 0 | 0 | 0 | 112.8 | S1086 K1092 | S1086-N1090 WeakPolarHBondContact O-CB 3.41Å; S1086-N1090 PolarHBondContact O-N 2.79Å; S1086-N1090 PolarHBondContact O-ND2 3.37Å; S1086-N1090 VanDerWaalsContact O-ND2 3.13Å; N1090-K1092 PolarHBondContact O-N 3.49Å |
| 1091 | N | 57.4 | Low | 69.2 | Low | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | trans | -92.5 | 85.9 | 172.9 | -84.7 | -24.1 | 0 | 0 | 0 | 111.1 | R1087 H1088 S1093 T1094 | R1087-N1091 WeakPolarHBondContact O-CB 3.37Å; R1087-N1091 PolarHBondContact O-N 3.21Å; H1088-N1091 CarbonylContact O-C 3.55Å; N1091-S1093 PolarHBondContact O-N 3.4Å; N1091-T1094 HydrophobicContact CB-CG2 4.11Å; N1091-T1094 PolarHBondContact O-N 3.43Å; N1091-T1094 PolarHBondContact O-OG1 2.91Å | ||
| 1092 | K | 55.1 | Low | 68.5 | Low | 208 Ų | 208 | 67.5 Ų | 67.5 | 90% | 0.904 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -4 | 169.7 | -66.6 | -173.6 | 177.7 | -177.6 | 0 | 114.7 | N1090 | N1090-K1092 PolarHBondContact O-N 3.49Š|
| 1093 | S | 52.3 | Low | 67.9 | Low | 93 Ų | 93 | 75.2 Ų | 75.2 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -11.4 | 178.3 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | N1091 | N1091-S1093 PolarHBondContact O-N 3.4Š|
| 1094 | T | 56.1 | Low | 67.8 | Low | 58 Ų | 58 | 76.1 Ų | 76.1 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | trans | -96 | 102.1 | -177.1 | 45.4 | 0 | 0 | 0 | 0 | 111.5 | H1088 N1091 | H1088-T1094 PolarHBondContact ND1-OG1 3.13Å; N1091-T1094 HydrophobicContact CB-CG2 4.11Å; N1091-T1094 PolarHBondContact O-N 3.43Å; N1091-T1094 PolarHBondContact O-OG1 2.91Å | ||
| 1095 | C | 61.9 | Low | 67.9 | Low | 34 Ų | 34 | 75 Ų | 75 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 145.8 | 172.7 | -67 | 0 | 0 | 0 | 0 | 111.6 | G1221 D1223 | C1095-G1221 CarbonylContact C-O 3.48Å; C1095-G1221 WeakPolarHBondContact CA-O 3.34Å; C1095-D1223 HydrophobicContact CB-CB 3.54Å; C1095-D1223 WeakPolarHBondContact CB-OD1 3.47Å; C1095-D1223 WeakPolarHBondContact CB-OD2 3.27Å; C1095-D1223 PolarHBondContact SG-OD1 3.01Å; C1095-D1223 VanDerWaalsContact SG-OD1 3.38Å |
| 1096 | W | 67.8 | Low | 67.7 | Low | 16 Ų | 16 | 78.3 Ų | 78.3 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.3 | 171.2 | -69.2 | 88.9 | 0 | 0 | 0 | 110.4 | H1088 L1098 L1101 Y1104 L1181 G1221 I1222 D1223 | H1088-W1096 HydrophobicContact CB-CH2 4.38Å; H1088-W1096 HydrophobicContact CB-CZ2 3.53Å; H1088-W1096 AromaticContact CD2-CH2 3.66Å; H1088-W1096 AromaticContact CD2-CZ2 3.6Å; H1088-W1096 AromaticContact CG-CE2 3.64Å; H1088-W1096 AromaticContact CG-CH2 3.95Å; H1088-W1096 AromaticContact CG-CZ2 3.37Å; H1088-W1096 AromaticContact CG-NE1 3.99Å; H1088-W1096 AromaticContact ND1-CE2 3.58Å; H1088-W1096 AromaticContact ND1-CZ2 3.82Å; H1088-W1096 AromaticContact ND1-NE1 3.68Å; W1096-L1098 PolarHBondContact O-N 3.17Å; W1096-L1101 HydrophobicContact CB-CB 4.1Å; W1096-L1101 HydrophobicContact CD2-CD1 4.03Å; W1096-L1101 HydrophobicContact CE3-CB 4.32Å; W1096-L1101 HydrophobicContact CE3-CD1 4.22Å; W1096-L1101 HydrophobicContact CG-CB 4.5Å; W1096-L1101 HydrophobicContact CG-CD1 4.2Å; W1096-Y1104 AromaticContact CH2-CD1 3.54Å; W1096-Y1104 HydrophobicContact CH2-CD1 3.54Å; W1096-Y1104 HydrophobicContact CH2-CD2 4.28Å; W1096-Y1104 AromaticContact CH2-CE1 3.8Å; W1096-Y1104 HydrophobicContact CH2-CE1 3.8Å; W1096-Y1104 HydrophobicContact CH2-CE2 4.49Å; W1096-Y1104 AromaticContact CH2-CG 3.8Å; W1096-Y1104 HydrophobicContact CH2-CG 3.8Å; W1096-Y1104 HydrophobicContact CZ2-CD1 4.49Å; W1096-Y1104 AromaticContact CZ3-CD1 3.9Å; W1096-Y1104 HydrophobicContact CZ3-CD1 3.9Å; W1096-Y1104 HydrophobicContact CZ3-CD2 4.19Å; W1096-Y1104 AromaticContact CZ3-CG 3.7Å; W1096-Y1104 HydrophobicContact CZ3-CG 3.7Å; W1096-L1181 HydrophobicContact CZ2-CD2 4.04Å; W1096-G1221 PolarHBondContact N-O 3.31Å; W1096-I1222 HydrophobicContact CB-CD1 3.94Å; W1096-I1222 WeakPolarHBondContact O-CA 3.36Å; W1096-D1223 PolarHBondContact O-N 3.17Å |
| 1097 | P | 67.8 | Low | 67.9 | Low | 48 Ų | 48 | 81 Ų | 81 | 31% | 0.312 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 134.5 | 160.1 | -18.5 | 29.4 | 0 | 0 | 0 | 109.3 | S1099 R1100 L1101 | P1097-S1099 PolarHBondContact O-N 3.38Å; P1097-R1100 HydrophobicContact CB-CB 3.89Å; P1097-R1100 HydrophobicContact CG-CB 4.01Å; P1097-R1100 CarbonylContact O-C 3.59Å; P1097-R1100 WeakPolarHBondContact O-CA 3.29Å; P1097-R1100 WeakPolarHBondContact O-CB 3.38Å; P1097-R1100 PolarHBondContact O-N 3.12Å; P1097-L1101 PolarHBondContact O-N 3.35Å |
| 1098 | L | 64.5 | Low | 68.4 | Low | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.8 | -42.8 | -177.9 | -177.8 | 65 | 0 | 0 | 0 | 112.5 | W1096 R1100 L1101 R1102 V1188 V1192 I1222 | W1096-L1098 PolarHBondContact O-N 3.17Å; L1098-R1100 VanDerWaalsContact C-N 3.3Å; L1098-R1100 PolarHBondContact O-N 3.35Å; L1098-L1101 PolarHBondContact O-N 3.37Å; L1098-R1102 PolarHBondContact O-N 2.97Å; L1098-R1102 VanDerWaalsContact O-N 3.12Å; L1098-V1188 HydrophobicContact CD1-CG1 3.36Å; L1098-V1192 HydrophobicContact CD2-CG2 4.31Å; L1098-I1222 HydrophobicContact CB-CG2 4.41Å |
| 1099 | S | 62.1 | Low | 69.1 | Low | 64 Ų | 64 | 78.2 Ų | 78.2 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -33.9 | 176.7 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | P1097 K1103 | P1097-S1099 PolarHBondContact O-N 3.38Å; S1099-K1103 WeakPolarHBondContact O-CG 3.47Å; S1099-K1103 PolarHBondContact O-N 3.19Å |
| 1100 | R | 66.6 | Low | 69.5 | Low | 149 Ų | 149 | 78.6 Ų | 78.6 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -78 | -40.1 | 179.2 | -166.2 | 171.5 | -178.3 | 156.8 | -1.3 | 111.3 | P1097 L1098 K1103 Y1104 | P1097-R1100 HydrophobicContact CB-CB 3.89Å; P1097-R1100 HydrophobicContact CG-CB 4.01Å; P1097-R1100 CarbonylContact O-C 3.59Å; P1097-R1100 WeakPolarHBondContact O-CA 3.29Å; P1097-R1100 WeakPolarHBondContact O-CB 3.38Å; P1097-R1100 PolarHBondContact O-N 3.12Å; L1098-R1100 VanDerWaalsContact C-N 3.3Å; L1098-R1100 PolarHBondContact O-N 3.35Å; R1100-K1103 PolarHBondContact O-N 3.19Å; R1100-Y1104 WeakPolarHBondContact O-CB 3.1Å; R1100-Y1104 PolarHBondContact O-N 2.92Å |
| 1101 | L | 75.1 | Confident | 70.5 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 174 | -178.6 | 63.6 | 0 | 0 | 0 | 111.3 | W1096 P1097 L1098 Y1104 L1105 L1181 L1184 V1188 I1222 | W1096-L1101 HydrophobicContact CB-CB 4.1Å; W1096-L1101 HydrophobicContact CD2-CD1 4.03Å; W1096-L1101 HydrophobicContact CE3-CB 4.32Å; W1096-L1101 HydrophobicContact CE3-CD1 4.22Å; W1096-L1101 HydrophobicContact CG-CB 4.5Å; W1096-L1101 HydrophobicContact CG-CD1 4.2Å; P1097-L1101 PolarHBondContact O-N 3.35Å; L1098-L1101 PolarHBondContact O-N 3.37Å; L1101-Y1104 PolarHBondContact O-N 3.01Å; L1101-L1105 HydrophobicContact CD1-CD1 4.45Å; L1101-L1105 HydrophobicContact CG-CD1 4.21Å; L1101-L1105 PolarHBondContact O-N 3.4Å; L1101-L1181 HydrophobicContact CD1-CD2 3.97Å; L1101-L1184 HydrophobicContact CD1-CD2 4.4Å; L1101-V1188 HydrophobicContact CD2-CG2 4.31Å; L1101-I1222 HydrophobicContact CD2-CD1 3.69Å |
| 1102 | R | 73.8 | Confident | 71.8 | Confident | 117 Ų | 117 | 69.1 Ų | 69.1 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 177.6 | -75.7 | -178.6 | 174 | 179.6 | -0 | 112 | L1098 Y1104 L1105 V1106 E1189 | L1098-R1102 PolarHBondContact O-N 2.97Å; L1098-R1102 VanDerWaalsContact O-N 3.12Å; R1102-Y1104 VanDerWaalsContact C-N 3.26Å; R1102-Y1104 PolarHBondContact O-N 2.91Å; R1102-L1105 PolarHBondContact O-N 2.86Å; R1102-V1106 WeakPolarHBondContact O-CG2 3.41Å; R1102-V1106 PolarHBondContact O-N 2.89Å; R1102-E1189 IonicContact CZ-OE1 2.58Å; R1102-E1189 IonicContact NE-OE1 3.38Å; R1102-E1189 PolarHBondContact NE-OE1 3.48Å; R1102-E1189 VanDerWaalsContact NH2-CD 3.27Å; R1102-E1189 IonicContact NH2-OE1 3.32Å; R1102-E1189 PolarHBondContact NH2-OE1 3.33Å; R1102-E1189 IonicContact NH2-OE2 3.13Å; R1102-E1189 PolarHBondContact NH2-OE2 2.95Å |
| 1103 | K | 71.9 | Confident | 73 | Confident | 164 Ų | 164 | 63.1 Ų | 63.1 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.5 | -36.1 | 176.3 | -74.6 | 178 | -179.4 | -179.9 | 0 | 112.4 | S1099 R1100 F1107 | S1099-K1103 WeakPolarHBondContact O-CG 3.47Å; S1099-K1103 PolarHBondContact O-N 3.19Å; R1100-K1103 PolarHBondContact O-N 3.19Å; K1103-F1107 WeakPolarHBondContact O-CB 3.24Å; K1103-F1107 PolarHBondContact O-N 3.47Å; K1103-F1107 VanDerWaalsContact O-N 3.16Å |
| 1104 | Y | 80.7 | Confident | 74.2 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.2 | -36.8 | -177.1 | -160.6 | -99.9 | 0 | 0 | 0 | 113.8 | W1081 I1084 Y1085 W1096 R1100 L1101 R1102 G1108 L1181 | W1081-Y1104 AromaticContact CD1-CZ 3.79Å; W1081-Y1104 HydrophobicContact CD2-CE1 4.32Å; W1081-Y1104 AromaticContact CE2-CE1 3.67Å; W1081-Y1104 HydrophobicContact CZ2-CD1 4.48Å; W1081-Y1104 AromaticContact CZ2-CE1 3.96Å; W1081-Y1104 HydrophobicContact CZ2-CE1 3.96Å; W1081-Y1104 AromaticContact NE1-CD1 3.92Å; W1081-Y1104 AromaticContact NE1-CE1 3.53Å; W1081-Y1104 AromaticContact NE1-CZ 3.68Å; W1081-Y1104 PolarHBondContact NE1-O 2.78Å; W1081-Y1104 PolarHBondContact O-OH 3.27Å; I1084-Y1104 HydrophobicContact CB-CE2 3.91Å; I1084-Y1104 WeakPolarHBondContact CB-OH 3.44Å; I1084-Y1104 HydrophobicContact CD1-CE2 4.26Å; I1084-Y1104 HydrophobicContact CG2-CD2 4.33Å; I1084-Y1104 HydrophobicContact CG2-CE2 3.39Å; I1084-Y1104 WeakPolarHBondContact CG2-OH 3.49Å; Y1085-Y1104 PolarHBondContact N-OH 3.21Å; Y1085-Y1104 VanDerWaalsContact N-OH 3.09Å; W1096-Y1104 AromaticContact CH2-CD1 3.54Å; W1096-Y1104 HydrophobicContact CH2-CD1 3.54Å; W1096-Y1104 HydrophobicContact CH2-CD2 4.28Å; W1096-Y1104 AromaticContact CH2-CE1 3.8Å; W1096-Y1104 HydrophobicContact CH2-CE1 3.8Å; W1096-Y1104 HydrophobicContact CH2-CE2 4.49Å; W1096-Y1104 AromaticContact CH2-CG 3.8Å; W1096-Y1104 HydrophobicContact CH2-CG 3.8Å; W1096-Y1104 HydrophobicContact CZ2-CD1 4.49Å; W1096-Y1104 AromaticContact CZ3-CD1 3.9Å; W1096-Y1104 HydrophobicContact CZ3-CD1 3.9Å; W1096-Y1104 HydrophobicContact CZ3-CD2 4.19Å; W1096-Y1104 AromaticContact CZ3-CG 3.7Å; W1096-Y1104 HydrophobicContact CZ3-CG 3.7Å; R1100-Y1104 WeakPolarHBondContact O-CB 3.1Å; R1100-Y1104 PolarHBondContact O-N 2.92Å; L1101-Y1104 PolarHBondContact O-N 3.01Å; R1102-Y1104 VanDerWaalsContact C-N 3.26Å; R1102-Y1104 PolarHBondContact O-N 2.91Å; Y1104-G1108 PolarHBondContact O-N 2.94Å; Y1104-G1108 VanDerWaalsContact O-N 3.09Å; Y1104-L1181 HydrophobicContact CD1-CD1 3.79Å; Y1104-L1181 HydrophobicContact CE1-CD1 3.73Å |
| 1105 | L | 80 | Confident | 75.3 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -51.1 | 172.6 | -80.3 | 167.2 | 0 | 0 | 0 | 111.5 | L1101 R1102 F1107 G1108 E1109 L1178 L1181 | L1101-L1105 HydrophobicContact CD1-CD1 4.45Å; L1101-L1105 HydrophobicContact CG-CD1 4.21Å; L1101-L1105 PolarHBondContact O-N 3.4Å; R1102-L1105 PolarHBondContact O-N 2.86Å; L1105-F1107 VanDerWaalsContact C-N 3.34Å; L1105-F1107 PolarHBondContact O-N 3.36Å; L1105-G1108 PolarHBondContact O-N 3.1Å; L1105-G1108 VanDerWaalsContact O-N 3.12Å; L1105-E1109 PolarHBondContact O-N 3.43Å; L1105-L1178 HydrophobicContact CD2-CD1 4.09Å; L1105-L1181 HydrophobicContact CD2-CB 3.75Å |
| 1106 | V | 79 | Confident | 76.2 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | R1102 G1108 E1109 E1110 | R1102-V1106 WeakPolarHBondContact O-CG2 3.41Å; R1102-V1106 PolarHBondContact O-N 2.89Å; V1106-G1108 VanDerWaalsContact C-N 3.3Å; V1106-G1108 PolarHBondContact O-N 3.29Å; V1106-E1109 PolarHBondContact O-N 2.95Å; V1106-E1110 PolarHBondContact O-N 2.92Å; V1106-E1110 VanDerWaalsContact O-N 3.13Å |
| 1107 | F | 80.6 | Confident | 76.6 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 37% | 0.373 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 178.6 | -171.9 | -122.9 | 0 | 0 | 0 | 112.6 | W1081 K1103 L1105 I1111 | W1081-F1107 AromaticContact CD1-CD1 3.84Å; K1103-F1107 WeakPolarHBondContact O-CB 3.24Å; K1103-F1107 PolarHBondContact O-N 3.47Å; K1103-F1107 VanDerWaalsContact O-N 3.16Å; L1105-F1107 VanDerWaalsContact C-N 3.34Å; L1105-F1107 PolarHBondContact O-N 3.36Å; F1107-I1111 HydrophobicContact CD1-CD1 4.05Å; F1107-I1111 HydrophobicContact CE1-CD1 3.67Å; F1107-I1111 HydrophobicContact CE2-CD1 4.3Å; F1107-I1111 HydrophobicContact CZ-CD1 3.81Å; F1107-I1111 HydrophobicContact CZ-CG1 4.44Å; F1107-I1111 WeakPolarHBondContact O-CG1 3.42Å; F1107-I1111 PolarHBondContact O-N 3.17Å |
| 1108 | G | 81.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1104 L1105 V1106 I1111 I1112 | Y1104-G1108 PolarHBondContact O-N 2.94Å; Y1104-G1108 VanDerWaalsContact O-N 3.09Å; L1105-G1108 PolarHBondContact O-N 3.1Å; L1105-G1108 VanDerWaalsContact O-N 3.12Å; V1106-G1108 VanDerWaalsContact C-N 3.3Å; V1106-G1108 PolarHBondContact O-N 3.29Å; G1108-I1111 PolarHBondContact O-N 3.37Å; G1108-I1112 WeakPolarHBondContact O-CG1 3.36Å; G1108-I1112 PolarHBondContact O-N 3.03Å; G1108-I1112 VanDerWaalsContact O-N 3.14Å |
| 1109 | E | 83.4 | Confident | 76.9 | Confident | 107 Ų | 107 | 62.4 Ų | 62.4 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 175.1 | -72.8 | 177.9 | 169.6 | 0 | 0 | 112 | L1105 V1106 I1112 S1113 L1178 | L1105-E1109 PolarHBondContact O-N 3.43Å; V1106-E1109 PolarHBondContact O-N 2.95Å; E1109-I1112 PolarHBondContact O-N 3.37Å; E1109-S1113 WeakPolarHBondContact O-CB 3.1Å; E1109-S1113 PolarHBondContact O-N 3.03Å; E1109-L1178 HydrophobicContact CG-CD2 3.82Å |
| 1110 | E | 79.6 | Confident | 77.1 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.5 | -172.3 | 177.7 | -175.8 | 0 | 0 | 112 | V1106 S1113 Q1114 | V1106-E1110 PolarHBondContact O-N 2.92Å; V1106-E1110 VanDerWaalsContact O-N 3.13Å; E1110-S1113 PolarHBondContact O-N 3.44Å; E1110-Q1114 WeakPolarHBondContact O-CG 3.15Å; E1110-Q1114 PolarHBondContact O-N 3.09Å; E1110-Q1114 VanDerWaalsContact O-N 3.15Å |
| 1111 | I | 83.5 | Confident | 76.6 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -41.8 | 178.6 | -63.8 | 167.6 | 0 | 0 | 0 | 111.4 | F1074 A1078 W1081 F1107 G1108 S1113 Q1114 L1115 M1174 | F1074-I1111 HydrophobicContact CE2-CG2 4.38Å; F1074-I1111 HydrophobicContact CZ-CG2 4.11Å; A1078-I1111 HydrophobicContact CB-CG2 3.88Å; W1081-I1111 HydrophobicContact CB-CD1 3.95Å; W1081-I1111 HydrophobicContact CG-CD1 4.21Å; F1107-I1111 HydrophobicContact CD1-CD1 4.05Å; F1107-I1111 HydrophobicContact CE1-CD1 3.67Å; F1107-I1111 HydrophobicContact CE2-CD1 4.3Å; F1107-I1111 HydrophobicContact CZ-CD1 3.81Å; F1107-I1111 HydrophobicContact CZ-CG1 4.44Å; F1107-I1111 WeakPolarHBondContact O-CG1 3.42Å; F1107-I1111 PolarHBondContact O-N 3.17Å; G1108-I1111 PolarHBondContact O-N 3.37Å; I1111-S1113 PolarHBondContact O-N 3.39Å; I1111-Q1114 PolarHBondContact O-N 3.02Å; I1111-L1115 HydrophobicContact CG2-CD1 3.83Å; I1111-L1115 HydrophobicContact CG2-CG 4.3Å; I1111-L1115 WeakPolarHBondContact O-CB 3.33Å; I1111-L1115 WeakPolarHBondContact O-CG 3.22Å; I1111-L1115 PolarHBondContact O-N 2.87Å; I1111-M1174 HydrophobicContact CB-CE 3.66Å; I1111-M1174 HydrophobicContact CD1-CE 4.23Å; I1111-M1174 HydrophobicContact CG2-CE 3.41Å; I1111-M1174 VanDerWaalsContact CG2-CE 3.41Å; I1111-M1174 HydrophobicContact CG2-SD 3.67Å |
| 1112 | I | 84 | Confident | 75.4 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.9 | -71.9 | -173.5 | 0 | 0 | 0 | 111.4 | G1108 E1109 Q1114 L1115 T1116 L1171 M1174 H1175 L1178 | G1108-I1112 WeakPolarHBondContact O-CG1 3.36Å; G1108-I1112 PolarHBondContact O-N 3.03Å; G1108-I1112 VanDerWaalsContact O-N 3.14Å; E1109-I1112 PolarHBondContact O-N 3.37Å; I1112-Q1114 PolarHBondContact O-N 3.23Å; I1112-L1115 PolarHBondContact O-N 2.67Å; I1112-T1116 VanDerWaalsContact O-CB 3.31Å; I1112-T1116 WeakPolarHBondContact O-CB 3.48Å; I1112-T1116 PolarHBondContact O-N 3.34Å; I1112-T1116 PolarHBondContact O-OG1 2.87Å; I1112-L1171 HydrophobicContact CG2-CD1 4.12Å; I1112-M1174 HydrophobicContact CD1-CB 4.04Å; I1112-M1174 HydrophobicContact CG1-CB 3.99Å; I1112-M1174 HydrophobicContact CG1-CE 4.19Å; I1112-H1175 VanDerWaalsContact CG2-CE1 3.46Å; I1112-H1175 WeakPolarHBondContact CG2-CE1 3.28Å; I1112-L1178 HydrophobicContact CD1-CB 3.95Å; I1112-L1178 HydrophobicContact CD1-CD2 3.49Å; I1112-L1178 VanDerWaalsContact CD1-CD2 3.49Å; I1112-L1178 HydrophobicContact CD1-CG 4.36Å; I1112-L1178 HydrophobicContact CG1-CD2 4.46Å |
| 1113 | S | 80.7 | Confident | 73.9 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.6 | -47.9 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | E1109 E1110 I1111 T1116 A1117 | E1109-S1113 WeakPolarHBondContact O-CB 3.1Å; E1109-S1113 PolarHBondContact O-N 3.03Å; E1110-S1113 PolarHBondContact O-N 3.44Å; I1111-S1113 PolarHBondContact O-N 3.39Å; S1113-T1116 PolarHBondContact O-N 2.86Å; S1113-A1117 PolarHBondContact O-N 3.45Å; S1113-A1117 VanDerWaalsContact O-N 3.08Å |
| 1114 | Q | 77.5 | Confident | 72.1 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.4 | -68.4 | -179.2 | 31.2 | 0 | 0 | 112.7 | F1074 E1110 I1111 I1112 T1116 A1117 I1118 | F1074-Q1114 HydrophobicContact CE1-CB 4.29Å; F1074-Q1114 HydrophobicContact CE2-CB 3.65Å; F1074-Q1114 HydrophobicContact CE2-CG 4.4Å; F1074-Q1114 HydrophobicContact CZ-CB 3.35Å; E1110-Q1114 WeakPolarHBondContact O-CG 3.15Å; E1110-Q1114 PolarHBondContact O-N 3.09Å; E1110-Q1114 VanDerWaalsContact O-N 3.15Å; I1111-Q1114 PolarHBondContact O-N 3.02Å; I1112-Q1114 PolarHBondContact O-N 3.23Å; Q1114-T1116 VanDerWaalsContact C-N 3.33Å; Q1114-T1116 PolarHBondContact O-N 3.17Å; Q1114-A1117 PolarHBondContact O-N 2.99Å; Q1114-I1118 WeakPolarHBondContact O-CG1 3.49Å; Q1114-I1118 PolarHBondContact O-N 3.48Å |
| 1115 | L | 79.4 | Confident | 69.9 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 174.2 | -81.2 | 168.5 | 0 | 0 | 0 | 112.5 | F1074 A1078 I1111 I1112 I1118 T1119 M1167 V1170 L1171 M1174 | F1074-L1115 HydrophobicContact CD1-CD2 4.25Å; F1074-L1115 HydrophobicContact CE1-CB 4.33Å; F1074-L1115 HydrophobicContact CE1-CD2 3.5Å; F1074-L1115 HydrophobicContact CE1-CG 3.51Å; F1074-L1115 HydrophobicContact CZ-CD2 4.31Å; F1074-L1115 HydrophobicContact CZ-CG 3.82Å; A1078-L1115 HydrophobicContact CB-CD1 4.28Å; I1111-L1115 HydrophobicContact CG2-CD1 3.83Å; I1111-L1115 HydrophobicContact CG2-CG 4.3Å; I1111-L1115 WeakPolarHBondContact O-CB 3.33Å; I1111-L1115 WeakPolarHBondContact O-CG 3.22Å; I1111-L1115 PolarHBondContact O-N 2.87Å; I1112-L1115 PolarHBondContact O-N 2.67Å; L1115-I1118 PolarHBondContact O-N 3.15Å; L1115-T1119 WeakPolarHBondContact O-CB 3.48Å; L1115-T1119 WeakPolarHBondContact O-CG2 3.25Å; L1115-T1119 PolarHBondContact O-N 3.38Å; L1115-T1119 PolarHBondContact O-OG1 3.41Å; L1115-M1167 HydrophobicContact CD2-CB 4.09Å; L1115-M1167 HydrophobicContact CD2-CG 4.2Å; L1115-V1170 HydrophobicContact CD1-CG1 4.25Å; L1115-L1171 HydrophobicContact CB-CB 4.35Å; L1115-L1171 HydrophobicContact CB-CD1 3.82Å; L1115-L1171 HydrophobicContact CB-CG 4.5Å; L1115-L1171 HydrophobicContact CD1-CB 4.34Å; L1115-L1171 HydrophobicContact CD1-CD1 4.44Å; L1115-M1174 HydrophobicContact CD1-SD 3.72Å |
| 1116 | T | 81 | Confident | 67.5 | Low | 59 Ų | 59 | 72.7 Ų | 72.7 | 36% | 0.362 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | I1112 S1113 Q1114 T1119 S1120 | I1112-T1116 VanDerWaalsContact O-CB 3.31Å; I1112-T1116 WeakPolarHBondContact O-CB 3.48Å; I1112-T1116 PolarHBondContact O-N 3.34Å; I1112-T1116 PolarHBondContact O-OG1 2.87Å; S1113-T1116 PolarHBondContact O-N 2.86Å; Q1114-T1116 VanDerWaalsContact C-N 3.33Å; Q1114-T1116 PolarHBondContact O-N 3.17Å; T1116-T1119 PolarHBondContact O-OG1 2.78Å; T1116-S1120 VanDerWaalsContact O-CB 3.26Å; T1116-S1120 WeakPolarHBondContact O-CB 3.49Å; T1116-S1120 PolarHBondContact O-N 3.22Å; T1116-S1120 PolarHBondContact O-OG 3.04Å |
| 1117 | A | 75.4 | Confident | 65.2 | Low | 59 Ų | 59 | 77.9 Ų | 77.9 | 49% | 0.488 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1113 Q1114 T1119 S1120 S1121 | S1113-A1117 PolarHBondContact O-N 3.45Å; S1113-A1117 VanDerWaalsContact O-N 3.08Å; Q1114-A1117 PolarHBondContact O-N 2.99Å; A1117-T1119 PolarHBondContact O-N 3.28Å; A1117-S1120 PolarHBondContact O-N 3.04Å; A1117-S1120 PolarHBondContact O-OG 3.47Å; A1117-S1121 WeakPolarHBondContact O-CB 3.28Å; A1117-S1121 PolarHBondContact O-N 2.92Å; A1117-S1121 VanDerWaalsContact O-N 3.12Å |
| 1118 | I | 69.7 | Low | 62.6 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 35% | 0.349 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 179.4 | -65 | 163.8 | 0 | 0 | 0 | 110.9 | F1074 Q1114 L1115 S1120 S1121 M1167 | F1074-I1118 HydrophobicContact CD1-CD1 3.64Å; F1074-I1118 HydrophobicContact CE1-CD1 3.55Å; F1074-I1118 HydrophobicContact CZ-CD1 4.41Å; Q1114-I1118 WeakPolarHBondContact O-CG1 3.49Å; Q1114-I1118 PolarHBondContact O-N 3.48Å; L1115-I1118 PolarHBondContact O-N 3.15Å; I1118-S1120 PolarHBondContact O-N 3.15Å; I1118-S1121 PolarHBondContact O-OG 3.17Å; I1118-M1167 HydrophobicContact CG2-SD 3.64Å |
| 1119 | T | 69.9 | Low | 60.1 | Low | 17 Ų | 17 | 88 Ų | 88 | 10% | 0.104 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -76.4 | -19.7 | -178.2 | 54.3 | 0 | 0 | 0 | 0 | 115 | L1115 T1116 A1117 M1167 R1168 L1171 | L1115-T1119 WeakPolarHBondContact O-CB 3.48Å; L1115-T1119 WeakPolarHBondContact O-CG2 3.25Å; L1115-T1119 PolarHBondContact O-N 3.38Å; L1115-T1119 PolarHBondContact O-OG1 3.41Å; T1116-T1119 PolarHBondContact O-OG1 2.78Å; A1117-T1119 PolarHBondContact O-N 3.28Å; T1119-M1167 HydrophobicContact CG2-CB 4.31Å; T1119-R1168 HydrophobicContact CG2-CG 3.8Å; T1119-L1171 HydrophobicContact CG2-CD2 4.28Å |
| 1120 | S | 66.3 | Low | 57.4 | Low | 63 Ų | 63 | 92 Ų | 92 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -91.8 | -25.6 | 177.8 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | T1116 A1117 I1118 Q1122 K1123 | T1116-S1120 VanDerWaalsContact O-CB 3.26Å; T1116-S1120 WeakPolarHBondContact O-CB 3.49Å; T1116-S1120 PolarHBondContact O-N 3.22Å; T1116-S1120 PolarHBondContact O-OG 3.04Å; A1117-S1120 PolarHBondContact O-N 3.04Å; A1117-S1120 PolarHBondContact O-OG 3.47Å; I1118-S1120 PolarHBondContact O-N 3.15Å; S1120-Q1122 PolarHBondContact O-N 2.87Å; S1120-Q1122 VanDerWaalsContact O-N 3.13Å; S1120-K1123 PolarHBondContact O-N 2.95Å; S1120-K1123 VanDerWaalsContact O-N 3.15Å |
| 1121 | S | 54.7 | Low | 55 | Low | 67 Ų | 67 | 92 Ų | 92 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -59.9 | -21.1 | 179 | 71.9 | 0 | 0 | 0 | 0 | 115.1 | A1117 I1118 S1124 | A1117-S1121 WeakPolarHBondContact O-CB 3.28Å; A1117-S1121 PolarHBondContact O-N 2.92Å; A1117-S1121 VanDerWaalsContact O-N 3.12Å; I1118-S1121 PolarHBondContact O-OG 3.17Å; S1121-S1124 PolarHBondContact O-OG 3Å |
| 1122 | Q | 50.3 | Low | 52.3 | Low | 96 Ų | 96 | 97 Ų | 97 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -89.6 | -4.4 | 178.6 | -69.9 | -147.4 | -15.7 | 0 | 0 | 115.3 | S1120 S1124 | S1120-Q1122 PolarHBondContact O-N 2.87Å; S1120-Q1122 VanDerWaalsContact O-N 3.13Å; Q1122-S1124 VanDerWaalsContact C-N 3.32Å |
| 1123 | K | 42.5 | Very low | 49.7 | Very low | 173 Ų | 173 | 102.1 Ų | 102.1 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -80.5 | -9.1 | 177.2 | -80.4 | -178.7 | 176.3 | 175.9 | 0 | 114 | S1120 | S1120-K1123 PolarHBondContact O-N 2.95Å; S1120-K1123 VanDerWaalsContact O-N 3.15Å |
| 1124 | S | 33.7 | Very low | 47.1 | Very low | 87 Ų | 87 | 103.9 Ų | 103.9 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -101.2 | -15.8 | -174.6 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | S1121 Q1122 | S1121-S1124 PolarHBondContact O-OG 3Å; Q1122-S1124 VanDerWaalsContact C-N 3.32Å |
| 1125 | H | 34.3 | Very low | 45.1 | Very low | 172 Ų | 172 | 105.2 Ų | 105.2 | 80% | 0.796 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -96.7 | 1.7 | -177.6 | -83.8 | -72.4 | 0 | 0 | 0 | 115.5 | ||
| 1126 | S | 31 | Very low | 42.5 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | trans | -100.2 | 24.7 | -175 | 70.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1127 | K | 29.2 | Very low | 40.1 | Very low | 195 Ų | 195 | 116.3 Ų | 116.3 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -109 | 6 | -174.4 | -98.8 | -173.8 | -179.8 | -179.5 | 0 | 116.5 | ||
| 1128 | I | 27.2 | Very low | 37.7 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -135.6 | 131.8 | 179.6 | -53.7 | 179.5 | 0 | 0 | 0 | 109.1 | ||
| 1129 | V | 29.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 122 Ų | 122 | 84% | 0.842 | 70% | 0.699 | S | S | * | * | trans | 94.1 | 78 | -176.6 | -161.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1130 | H | 26.9 | Very low | 33.7 | Very low | 193 Ų | 193 | 128.4 Ų | 128.4 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | trans | -84.2 | 130.6 | 158.5 | -86.6 | -74.7 | 0 | 0 | 0 | 110.7 | ||||
| 1131 | S | 27.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -164.5 | 108.9 | 137.1 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1132 | S | 27.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 54.8 | 100.6 | 147.4 | 61.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1133 | S | 29.5 | Very low | 29.2 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | 174.3 | 114.7 | 100.9 | 41.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1134 | S | 26.5 | Very low | 28.4 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 18.6 | 139.8 | 163.6 | -135 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1135 | P | 33.8 | Very low | 28.2 | Very low | 113 Ų | 113 | 143 Ų | 143 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -97.9 | 152.1 | -179.8 | 39.4 | -31.6 | 0 | 0 | 0 | 113.2 | ||||
| 1136 | V | 25.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -140.4 | 109.4 | 167.5 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1137 | L | 31.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 142 Ų | 142 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -54.3 | 152.5 | 154.9 | -82.8 | 109 | 0 | 0 | 0 | 109.7 | ||||
| 1138 | L | 25.2 | Very low | 27.1 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | -179 | 141.9 | 126.6 | -96.1 | 148.1 | 0 | 0 | 0 | 114.6 | |||||
| 1139 | S | 25.2 | Very low | 27 | Very low | 87 Ų | 87 | 139.8 Ų | 139.8 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | trans | -71.8 | 149.6 | 173.2 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1140 | I | 29 | Very low | 26.8 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 36.3 | 111.5 | 133.4 | -51.4 | 169.8 | 0 | 0 | 0 | 117.4 | ||||
| 1141 | R | 23.7 | Very low | 26.8 | Very low | 223 Ų | 223 | 132.6 Ų | 132.6 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | 163.7 | 132.6 | 109.6 | -122.9 | 162.1 | -174.9 | -179.1 | 2.1 | 113.6 | |||||
| 1142 | N | 26.5 | Very low | 26.7 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | trans | 57.3 | 124.2 | 141.6 | -77.9 | 4.9 | 0 | 0 | 0 | 123.5 | ||||
| 1143 | N | 26.4 | Very low | 26.9 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 50.8 | 110.2 | 131.2 | -66.4 | -7.4 | 0 | 0 | 0 | 118.7 | ||||
| 1144 | Q | 27.2 | Very low | 27.1 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | 179.4 | 130.1 | 99 | -95.8 | 172.1 | -3.6 | 0 | 0 | 110.1 | |||||
| 1145 | T | 28.1 | Very low | 27.6 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -18.2 | 133.3 | 159.4 | 33.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1146 | I | 24.5 | Very low | 27.9 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | -173.7 | 122.9 | 110 | -88.9 | 152 | 0 | 0 | 0 | 110 | |||||
| 1147 | S | 23.6 | Very low | 28.7 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 61.8 | 99.7 | 153.6 | 63.4 | 0 | 0 | 0 | 0 | 121.8 | ||
| 1148 | Q | 24.8 | Very low | 29.9 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 94% | 0.939 | 74% | 0.735 | S | S | * | * | trans | 61.3 | 80.5 | 136.5 | -60.5 | -177.5 | -2 | 0 | 0 | 117.6 | ||||
| 1149 | S | 23.7 | Very low | 31.6 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -143.7 | 137.8 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1150 | S | 26.8 | Very low | 33.4 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 70% | 0.698 | S | S | * | * | trans | 50 | 114 | 135 | 60.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1151 | G | 25.7 | Very low | 35.2 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | trans | -92.4 | 86.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T1153 | G1151-T1153 PolarHBondContact O-N 3.35Š| ||
| 1152 | S | 25.5 | Very low | 37.2 | Very low | 106 Ų | 106 | 105.7 Ų | 105.7 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | trans | -74.1 | 104.1 | 179.1 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1153 | T | 32.5 | Very low | 39.5 | Very low | 129 Ų | 129 | 100.2 Ų | 100.2 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -64.8 | 129.9 | 165.1 | 39.1 | 0 | 0 | 0 | 0 | 110.3 | G1151 N1155 | G1151-T1153 PolarHBondContact O-N 3.35Å; T1153-N1155 PolarHBondContact O-N 3.49Å | ||
| 1154 | V | 34.6 | Very low | 41.8 | Very low | 127 Ų | 127 | 94.6 Ų | 94.6 | 77% | 0.77 | 58% | 0.579 | S | S | * | * | trans | -62.1 | 101.9 | 175.7 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | V1156 | V1154-V1156 HydrophobicContact CG1-CG2 3.88Å; V1154-V1156 PolarHBondContact O-N 2.96Å; V1154-V1156 VanDerWaalsContact O-N 3.09Å | ||
| 1155 | N | 35.7 | Very low | 44 | Very low | 156 Ų | 156 | 89.5 Ų | 89.5 | 83% | 0.834 | 56% | 0.555 | S | S | * | * | trans | -80.4 | 89.2 | -178.8 | -153.6 | 2.6 | 0 | 0 | 0 | 108.8 | T1153 G1157 | T1153-N1155 PolarHBondContact O-N 3.49Å; N1155-G1157 PolarHBondContact O-N 3.47Å | ||
| 1156 | V | 40 | Very low | 46.3 | Very low | 38 Ų | 38 | 83.7 Ų | 83.7 | 23% | 0.23 | 52% | 0.52 | C | S | . | . | trans | -78.9 | 86.6 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 108.2 | V1154 N1158 A1162 | V1154-V1156 HydrophobicContact CG1-CG2 3.88Å; V1154-V1156 PolarHBondContact O-N 2.96Å; V1154-V1156 VanDerWaalsContact O-N 3.09Å; V1156-N1158 PolarHBondContact O-N 3.03Å; V1156-A1162 HydrophobicContact CB-CB 4.27Å; V1156-A1162 HydrophobicContact CG1-CB 3.8Å | ||
| 1157 | G | 42.5 | Very low | 49.1 | Very low | 81 Ų | 81 | 76.3 Ų | 76.3 | 84% | 0.835 | 48% | 0.482 | S | S | * | . | trans | -66.3 | 11.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117 | N1155 | N1155-G1157 PolarHBondContact O-N 3.47Š| ||
| 1158 | N | 57.1 | Low | 51.8 | Low | 89 Ų | 89 | 77.7 Ų | 77.7 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | trans | -146.3 | 115.4 | 177.2 | -159.8 | 5 | 0 | 0 | 0 | 110 | V1156 D1160 T1161 A1162 | V1156-N1158 PolarHBondContact O-N 3.03Å; N1158-D1160 PolarHBondContact O-N 3.12Å; N1158-T1161 WeakPolarHBondContact CB-OG1 3.15Å; N1158-T1161 WeakPolarHBondContact O-CB 3.45Å; N1158-T1161 PolarHBondContact O-N 2.96Å; N1158-A1162 PolarHBondContact O-N 3.27Å | ||
| 1159 | M | 61.2 | Low | 54.5 | Low | 37 Ų | 37 | 70.5 Ų | 70.5 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -55.7 | -39.7 | -174.2 | -164 | -156.7 | -57.6 | 0 | 0 | 111.6 | R993 I996 E1068 T1161 A1162 L1163 | R993-M1159 HydrophobicContact CG-CE 3.67Å; R993-M1159 HydrophobicContact CG-CG 4.26Å; R993-M1159 HydrophobicContact CG-SD 4.46Å; I996-M1159 HydrophobicContact CD1-CG 3.56Å; I996-M1159 HydrophobicContact CD1-SD 3.82Å; E1068-M1159 HydrophobicContact CG-CE 4.1Å; E1068-M1159 HydrophobicContact CG-SD 3.53Å; E1068-M1159 VanDerWaalsContact CG-SD 3.53Å; M1159-T1161 VanDerWaalsContact C-N 3.27Å; M1159-T1161 PolarHBondContact O-N 3.46Å; M1159-A1162 PolarHBondContact O-N 3.14Å; M1159-L1163 WeakPolarHBondContact O-CB 3.44Å; M1159-L1163 PolarHBondContact O-N 3.15Å |
| 1160 | D | 61.5 | Low | 57.3 | Low | 90 Ų | 90 | 65.5 Ų | 65.5 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 176.4 | -70.1 | -28.3 | 0 | 0 | 0 | 112.5 | N1158 T1164 | N1158-D1160 PolarHBondContact O-N 3.12Å; D1160-T1164 WeakPolarHBondContact O-CB 3.43Å; D1160-T1164 PolarHBondContact O-N 2.87Å; D1160-T1164 PolarHBondContact O-OG1 3.21Å |
| 1161 | T | 67.6 | Low | 60.1 | Low | 58 Ų | 58 | 61.7 Ų | 61.7 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.9 | -41.8 | -178.6 | -47.8 | 0 | 0 | 0 | 0 | 111.4 | N1158 M1159 Q1165 | N1158-T1161 WeakPolarHBondContact CB-OG1 3.15Å; N1158-T1161 WeakPolarHBondContact O-CB 3.45Å; N1158-T1161 PolarHBondContact O-N 2.96Å; M1159-T1161 VanDerWaalsContact C-N 3.27Å; M1159-T1161 PolarHBondContact O-N 3.46Å; T1161-Q1165 VanDerWaalsContact O-CG 3.32Å; T1161-Q1165 WeakPolarHBondContact O-CG 3.28Å; T1161-Q1165 PolarHBondContact O-N 3.49Å |
| 1162 | A | 66.7 | Low | 62.8 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.8 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I996 V1156 N1158 M1159 T1164 Q1165 I1166 | I996-A1162 HydrophobicContact CG2-CB 3.61Å; V1156-A1162 HydrophobicContact CB-CB 4.27Å; V1156-A1162 HydrophobicContact CG1-CB 3.8Å; N1158-A1162 PolarHBondContact O-N 3.27Å; M1159-A1162 PolarHBondContact O-N 3.14Å; A1162-T1164 VanDerWaalsContact C-N 3.35Å; A1162-T1164 PolarHBondContact O-N 3.37Å; A1162-Q1165 WeakPolarHBondContact O-CB 3.34Å; A1162-Q1165 PolarHBondContact O-N 3.24Å; A1162-Q1165 VanDerWaalsContact O-N 3.16Å; A1162-I1166 WeakPolarHBondContact O-CG1 3.45Å; A1162-I1166 PolarHBondContact O-N 3.21Å |
| 1163 | L | 73.5 | Confident | 65.6 | Low | 13 Ų | 13 | 59 Ų | 59 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177 | -176.6 | 67.4 | 0 | 0 | 0 | 111.9 | S1071 M1159 Q1165 I1166 M1167 | S1071-L1163 VanDerWaalsContact CB-CD2 3.45Å; M1159-L1163 WeakPolarHBondContact O-CB 3.44Å; M1159-L1163 PolarHBondContact O-N 3.15Å; L1163-Q1165 VanDerWaalsContact C-N 3.31Å; L1163-Q1165 PolarHBondContact O-N 3.41Å; L1163-I1166 PolarHBondContact O-N 3.43Å; L1163-M1167 HydrophobicContact CD1-CE 4.05Å; L1163-M1167 HydrophobicContact CD2-CE 4.16Å; L1163-M1167 HydrophobicContact CG-CE 3.96Å; L1163-M1167 HydrophobicContact CG-SD 4.33Å; L1163-M1167 WeakPolarHBondContact O-CB 3.25Å; L1163-M1167 WeakPolarHBondContact O-CG 3.29Å; L1163-M1167 PolarHBondContact O-N 3.35Å |
| 1164 | T | 74.6 | Confident | 68.1 | Low | 17 Ų | 17 | 52.9 Ų | 52.9 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 175.5 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | D1160 A1162 R1168 | D1160-T1164 WeakPolarHBondContact O-CB 3.43Å; D1160-T1164 PolarHBondContact O-N 2.87Å; D1160-T1164 PolarHBondContact O-OG1 3.21Å; A1162-T1164 VanDerWaalsContact C-N 3.35Å; A1162-T1164 PolarHBondContact O-N 3.37Å; T1164-R1168 WeakPolarHBondContact O-CG 3.06Å; T1164-R1168 PolarHBondContact O-N 2.87Å |
| 1165 | Q | 73.2 | Confident | 70.5 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 175.6 | -75.5 | 177.3 | 4.6 | 0 | 0 | 111.9 | T1161 A1162 L1163 R1168 L1169 | T1161-Q1165 VanDerWaalsContact O-CG 3.32Å; T1161-Q1165 WeakPolarHBondContact O-CG 3.28Å; T1161-Q1165 PolarHBondContact O-N 3.49Å; A1162-Q1165 WeakPolarHBondContact O-CB 3.34Å; A1162-Q1165 PolarHBondContact O-N 3.24Å; A1162-Q1165 VanDerWaalsContact O-N 3.16Å; L1163-Q1165 VanDerWaalsContact C-N 3.31Å; L1163-Q1165 PolarHBondContact O-N 3.41Å; Q1165-R1168 PolarHBondContact O-N 3.18Å; Q1165-L1169 WeakPolarHBondContact O-CG 3.29Å; Q1165-L1169 PolarHBondContact O-N 3.5Å; Q1165-L1169 VanDerWaalsContact O-N 3.14Å |
| 1166 | I | 77.6 | Confident | 72.8 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 174.3 | -66.1 | 166.3 | 0 | 0 | 0 | 110.4 | I996 L999 C1000 I1003 L1075 A1162 L1163 R1168 L1169 V1170 | I996-I1166 HydrophobicContact CG2-CD1 4.21Å; L999-I1166 HydrophobicContact CB-CD1 3.91Å; C1000-I1166 HydrophobicContact CB-CD1 4.34Å; C1000-I1166 VanDerWaalsContact SG-CD1 3.52Å; I1003-I1166 HydrophobicContact CD1-CG2 3.65Å; L1075-I1166 HydrophobicContact CD1-CG2 3.76Å; L1075-I1166 HydrophobicContact CD2-CG2 3.9Å; A1162-I1166 WeakPolarHBondContact O-CG1 3.45Å; A1162-I1166 PolarHBondContact O-N 3.21Å; L1163-I1166 PolarHBondContact O-N 3.43Å; I1166-R1168 VanDerWaalsContact C-N 3.3Å; I1166-R1168 PolarHBondContact O-N 3.05Å; I1166-L1169 PolarHBondContact O-N 3.47Å; I1166-L1169 VanDerWaalsContact O-N 3.11Å; I1166-V1170 HydrophobicContact CG2-CG2 4.28Å; I1166-V1170 WeakPolarHBondContact O-CG2 3.35Å; I1166-V1170 PolarHBondContact O-N 3.46Å |
| 1167 | M | 82 | Confident | 74.9 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -37 | -179.7 | -73.5 | -179.7 | 172.2 | 0 | 0 | 112.6 | F1074 L1115 I1118 T1119 L1163 L1171 | F1074-M1167 HydrophobicContact CD1-CE 4.45Å; L1115-M1167 HydrophobicContact CD2-CB 4.09Å; L1115-M1167 HydrophobicContact CD2-CG 4.2Å; I1118-M1167 HydrophobicContact CG2-SD 3.64Å; T1119-M1167 HydrophobicContact CG2-CB 4.31Å; L1163-M1167 HydrophobicContact CD1-CE 4.05Å; L1163-M1167 HydrophobicContact CD2-CE 4.16Å; L1163-M1167 HydrophobicContact CG-CE 3.96Å; L1163-M1167 HydrophobicContact CG-SD 4.33Å; L1163-M1167 WeakPolarHBondContact O-CB 3.25Å; L1163-M1167 WeakPolarHBondContact O-CG 3.29Å; L1163-M1167 PolarHBondContact O-N 3.35Å; M1167-L1171 WeakPolarHBondContact O-CB 3.43Å; M1167-L1171 PolarHBondContact O-N 3.14Å |
| 1168 | R | 80.8 | Confident | 76.9 | Confident | 123 Ų | 123 | 44.1 Ų | 44.1 | 46% | 0.464 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 174.1 | -77.1 | 177.8 | -173.4 | 158.3 | 7.1 | 112.8 | T1119 T1164 Q1165 I1166 A1172 | T1119-R1168 HydrophobicContact CG2-CG 3.8Å; T1164-R1168 WeakPolarHBondContact O-CG 3.06Å; T1164-R1168 PolarHBondContact O-N 2.87Å; Q1165-R1168 PolarHBondContact O-N 3.18Å; I1166-R1168 VanDerWaalsContact C-N 3.3Å; I1166-R1168 PolarHBondContact O-N 3.05Å; R1168-A1172 PolarHBondContact O-N 3.44Å |
| 1169 | L | 81.1 | Confident | 78 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68 | -44 | 177.2 | -72.3 | 164.8 | 0 | 0 | 0 | 111.4 | I1003 L1004 A1007 Q1165 I1166 A1172 R1173 | I1003-L1169 HydrophobicContact CG2-CB 4.25Å; I1003-L1169 HydrophobicContact CG2-CD1 4.2Å; L1004-L1169 HydrophobicContact CD2-CD1 3.61Å; L1004-L1169 HydrophobicContact CG-CD1 4.07Å; A1007-L1169 HydrophobicContact CB-CD2 4.03Å; Q1165-L1169 WeakPolarHBondContact O-CG 3.29Å; Q1165-L1169 PolarHBondContact O-N 3.5Å; Q1165-L1169 VanDerWaalsContact O-N 3.14Å; I1166-L1169 PolarHBondContact O-N 3.47Å; I1166-L1169 VanDerWaalsContact O-N 3.11Å; L1169-A1172 PolarHBondContact O-N 3.04Å; L1169-R1173 VanDerWaalsContact O-CG 3.3Å; L1169-R1173 WeakPolarHBondContact O-CG 3.49Å; L1169-R1173 PolarHBondContact O-N 3.48Å; L1169-R1173 VanDerWaalsContact O-N 3.15Å |
| 1170 | V | 83.2 | Confident | 79 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | L1075 A1078 L1079 L1082 L1115 I1166 A1172 R1173 M1174 | L1075-V1170 HydrophobicContact CD1-CG2 3.94Å; A1078-V1170 HydrophobicContact CB-CG1 3.65Å; L1079-V1170 HydrophobicContact CD2-CG2 4.44Å; L1082-V1170 HydrophobicContact CD1-CG1 3.92Å; L1115-V1170 HydrophobicContact CD1-CG1 4.25Å; I1166-V1170 HydrophobicContact CG2-CG2 4.28Å; I1166-V1170 WeakPolarHBondContact O-CG2 3.35Å; I1166-V1170 PolarHBondContact O-N 3.46Å; V1170-A1172 PolarHBondContact O-N 3.24Å; V1170-R1173 PolarHBondContact O-N 3.17Å; V1170-M1174 HydrophobicContact CG1-CG 4.32Å; V1170-M1174 HydrophobicContact CG1-SD 4.08Å; V1170-M1174 WeakPolarHBondContact O-CG 3.5Å; V1170-M1174 PolarHBondContact O-N 3.39Å |
| 1171 | L | 85 | Confident | 79.8 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 175 | 175.1 | 62.6 | 0 | 0 | 0 | 112 | I1112 L1115 T1119 M1167 R1173 M1174 H1175 | I1112-L1171 HydrophobicContact CG2-CD1 4.12Å; L1115-L1171 HydrophobicContact CB-CB 4.35Å; L1115-L1171 HydrophobicContact CB-CD1 3.82Å; L1115-L1171 HydrophobicContact CB-CG 4.5Å; L1115-L1171 HydrophobicContact CD1-CB 4.34Å; L1115-L1171 HydrophobicContact CD1-CD1 4.44Å; T1119-L1171 HydrophobicContact CG2-CD2 4.28Å; M1167-L1171 WeakPolarHBondContact O-CB 3.43Å; M1167-L1171 PolarHBondContact O-N 3.14Å; L1171-R1173 VanDerWaalsContact C-N 3.32Å; L1171-R1173 PolarHBondContact O-N 3.48Å; L1171-M1174 PolarHBondContact O-N 3.14Å; L1171-H1175 PolarHBondContact O-CD2 2.88Å; L1171-H1175 PolarHBondContact O-N 3.2Å |
| 1172 | A | 82.4 | Confident | 80.3 | Confident | 55 Ų | 55 | 39.7 Ų | 39.7 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1168 L1169 V1170 T1176 | R1168-A1172 PolarHBondContact O-N 3.44Å; L1169-A1172 PolarHBondContact O-N 3.04Å; V1170-A1172 PolarHBondContact O-N 3.24Å; A1172-T1176 PolarHBondContact O-N 3.16Å; A1172-T1176 PolarHBondContact O-OG1 3.35Å |
| 1173 | R | 83.9 | Confident | 80.9 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 178.8 | -66.6 | 173.1 | 69.6 | -170.7 | 2.3 | 112.2 | D1041 L1082 L1169 V1170 L1171 H1175 T1176 S1177 | D1041-R1173 VanDerWaalsContact CG-NH1 3.32Å; D1041-R1173 VanDerWaalsContact CG-NH2 3.26Å; D1041-R1173 IonicContact OD1-CZ 2.82Å; D1041-R1173 IonicContact OD1-NH1 4Å; D1041-R1173 PolarHBondContact OD1-NH1 2.85Å; D1041-R1173 IonicContact OD1-NH2 3.1Å; D1041-R1173 PolarHBondContact OD1-NH2 3.32Å; D1041-R1173 IonicContact OD2-CZ 2.71Å; D1041-R1173 IonicContact OD2-NH1 2.94Å; D1041-R1173 PolarHBondContact OD2-NH1 3.05Å; D1041-R1173 IonicContact OD2-NH2 2.82Å; D1041-R1173 PolarHBondContact OD2-NH2 3.47Å; L1082-R1173 HydrophobicContact CD1-CB 4.28Å; L1082-R1173 HydrophobicContact CD2-CB 4.14Å; L1169-R1173 VanDerWaalsContact O-CG 3.3Å; L1169-R1173 WeakPolarHBondContact O-CG 3.49Å; L1169-R1173 PolarHBondContact O-N 3.48Å; L1169-R1173 VanDerWaalsContact O-N 3.15Å; V1170-R1173 PolarHBondContact O-N 3.17Å; L1171-R1173 VanDerWaalsContact C-N 3.32Å; L1171-R1173 PolarHBondContact O-N 3.48Å; R1173-H1175 VanDerWaalsContact C-N 3.34Å; R1173-H1175 PolarHBondContact O-N 2.99Å; R1173-T1176 PolarHBondContact O-N 2.78Å; R1173-S1177 PolarHBondContact O-N 2.86Å; R1173-S1177 PolarHBondContact O-OG 3.27Å |
| 1174 | M | 86.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.3 | -73.2 | -171.4 | 67.2 | 0 | 0 | 112.1 | A1078 W1081 L1082 I1111 I1112 L1115 V1170 L1171 T1176 S1177 L1178 | A1078-M1174 HydrophobicContact CB-SD 3.82Å; W1081-M1174 HydrophobicContact CB-CE 4.29Å; W1081-M1174 HydrophobicContact CD2-CE 3.72Å; W1081-M1174 HydrophobicContact CE3-CE 3.58Å; W1081-M1174 HydrophobicContact CE3-CG 3.97Å; W1081-M1174 HydrophobicContact CE3-SD 4.4Å; W1081-M1174 HydrophobicContact CG-CE 4.03Å; W1081-M1174 HydrophobicContact CZ3-CB 4.3Å; W1081-M1174 HydrophobicContact CZ3-CE 4.17Å; W1081-M1174 HydrophobicContact CZ3-CG 4.12Å; L1082-M1174 HydrophobicContact CD1-CG 4.06Å; L1082-M1174 HydrophobicContact CD2-CG 3.71Å; L1082-M1174 HydrophobicContact CG-CG 3.74Å; I1111-M1174 HydrophobicContact CB-CE 3.66Å; I1111-M1174 HydrophobicContact CD1-CE 4.23Å; I1111-M1174 HydrophobicContact CG2-CE 3.41Å; I1111-M1174 VanDerWaalsContact CG2-CE 3.41Å; I1111-M1174 HydrophobicContact CG2-SD 3.67Å; I1112-M1174 HydrophobicContact CD1-CB 4.04Å; I1112-M1174 HydrophobicContact CG1-CB 3.99Å; I1112-M1174 HydrophobicContact CG1-CE 4.19Å; L1115-M1174 HydrophobicContact CD1-SD 3.72Å; V1170-M1174 HydrophobicContact CG1-CG 4.32Å; V1170-M1174 HydrophobicContact CG1-SD 4.08Å; V1170-M1174 WeakPolarHBondContact O-CG 3.5Å; V1170-M1174 PolarHBondContact O-N 3.39Å; L1171-M1174 PolarHBondContact O-N 3.14Å; M1174-T1176 VanDerWaalsContact C-N 3.31Å; M1174-T1176 PolarHBondContact O-N 2.99Å; M1174-S1177 PolarHBondContact O-N 3.32Å; M1174-L1178 VanDerWaalsContact O-CB 3.23Å; M1174-L1178 WeakPolarHBondContact O-CB 3.49Å; M1174-L1178 PolarHBondContact O-N 3.41Å |
| 1175 | H | 84.7 | Confident | 81 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 173.9 | -91.5 | -64.3 | 0 | 0 | 0 | 112.6 | I1112 L1171 R1173 G1179 | I1112-H1175 VanDerWaalsContact CG2-CE1 3.46Å; I1112-H1175 WeakPolarHBondContact CG2-CE1 3.28Å; L1171-H1175 PolarHBondContact O-CD2 2.88Å; L1171-H1175 PolarHBondContact O-N 3.2Å; R1173-H1175 VanDerWaalsContact C-N 3.34Å; R1173-H1175 PolarHBondContact O-N 2.99Å; H1175-G1179 PolarHBondContact O-N 2.92Å; H1175-G1179 VanDerWaalsContact O-N 3.08Å |
| 1176 | T | 83.5 | Confident | 81.1 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.5 | -48.1 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | A1172 R1173 M1174 G1179 N1180 | A1172-T1176 PolarHBondContact O-N 3.16Å; A1172-T1176 PolarHBondContact O-OG1 3.35Å; R1173-T1176 PolarHBondContact O-N 2.78Å; M1174-T1176 VanDerWaalsContact C-N 3.31Å; M1174-T1176 PolarHBondContact O-N 2.99Å; T1176-G1179 PolarHBondContact O-N 2.99Å; T1176-N1180 PolarHBondContact O-N 3.02Å |
| 1177 | S | 84.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 179.7 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | Y1085 R1173 M1174 N1180 L1181 | Y1085-S1177 VanDerWaalsContact CD1-CB 3.48Å; Y1085-S1177 WeakPolarHBondContact CD1-OG 3.37Å; Y1085-S1177 VanDerWaalsContact CE1-CB 3.43Å; Y1085-S1177 WeakPolarHBondContact CE1-OG 2.96Å; R1173-S1177 PolarHBondContact O-N 2.86Å; R1173-S1177 PolarHBondContact O-OG 3.27Å; M1174-S1177 PolarHBondContact O-N 3.32Å; S1177-N1180 PolarHBondContact O-N 2.72Å; S1177-L1181 PolarHBondContact O-N 2.93Å; S1177-L1181 VanDerWaalsContact O-N 3.14Å |
| 1178 | L | 84.5 | Confident | 80.8 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 178.4 | -173.7 | 68.5 | 0 | 0 | 0 | 110.4 | W1081 L1105 E1109 I1112 M1174 N1180 L1181 T1182 | W1081-L1178 HydrophobicContact CH2-CB 3.95Å; W1081-L1178 HydrophobicContact CH2-CD1 4.3Å; W1081-L1178 HydrophobicContact CZ2-CB 4.38Å; W1081-L1178 HydrophobicContact CZ2-CD1 3.87Å; L1105-L1178 HydrophobicContact CD2-CD1 4.09Å; E1109-L1178 HydrophobicContact CG-CD2 3.82Å; I1112-L1178 HydrophobicContact CD1-CB 3.95Å; I1112-L1178 HydrophobicContact CD1-CD2 3.49Å; I1112-L1178 VanDerWaalsContact CD1-CD2 3.49Å; I1112-L1178 HydrophobicContact CD1-CG 4.36Å; I1112-L1178 HydrophobicContact CG1-CD2 4.46Å; M1174-L1178 VanDerWaalsContact O-CB 3.23Å; M1174-L1178 WeakPolarHBondContact O-CB 3.49Å; M1174-L1178 PolarHBondContact O-N 3.41Å; L1178-N1180 VanDerWaalsContact C-N 3.26Å; L1178-N1180 PolarHBondContact O-N 2.7Å; L1178-L1181 PolarHBondContact O-N 2.89Å; L1178-L1181 VanDerWaalsContact O-N 3.08Å; L1178-T1182 WeakPolarHBondContact O-CB 3.14Å; L1178-T1182 PolarHBondContact O-N 3.22Å; L1178-T1182 PolarHBondContact O-OG1 3.1Å |
| 1179 | G | 80.5 | Confident | 80.3 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.6 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1175 T1176 Q1183 | H1175-G1179 PolarHBondContact O-N 2.92Å; H1175-G1179 VanDerWaalsContact O-N 3.08Å; T1176-G1179 PolarHBondContact O-N 2.99Å; G1179-Q1183 PolarHBondContact O-N 3.44Å |
| 1180 | N | 81.1 | Confident | 79.9 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 175.6 | -67 | -19.1 | 0 | 0 | 0 | 112.4 | Y1085 T1176 S1177 L1178 L1184 | Y1085-N1180 WeakPolarHBondContact OH-CB 3.35Å; Y1085-N1180 PolarHBondContact OH-ND2 3.02Å; T1176-N1180 PolarHBondContact O-N 3.02Å; S1177-N1180 PolarHBondContact O-N 2.72Å; L1178-N1180 VanDerWaalsContact C-N 3.26Å; L1178-N1180 PolarHBondContact O-N 2.7Å; N1180-L1184 PolarHBondContact O-N 2.75Å |
| 1181 | L | 79.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 178 | -82.1 | 167.9 | 0 | 0 | 0 | 113.1 | W1081 Y1085 W1096 L1101 Y1104 L1105 S1177 L1178 Q1183 L1184 G1185 | W1081-L1181 HydrophobicContact CH2-CD1 4.07Å; W1081-L1181 HydrophobicContact CZ2-CD1 3.82Å; Y1085-L1181 HydrophobicContact CD2-CD1 3.58Å; Y1085-L1181 HydrophobicContact CD2-CD2 4.49Å; Y1085-L1181 HydrophobicContact CD2-CG 3.87Å; Y1085-L1181 HydrophobicContact CE2-CD1 4.07Å; Y1085-L1181 HydrophobicContact CE2-CG 3.86Å; W1096-L1181 HydrophobicContact CZ2-CD2 4.04Å; L1101-L1181 HydrophobicContact CD1-CD2 3.97Å; Y1104-L1181 HydrophobicContact CD1-CD1 3.79Å; Y1104-L1181 HydrophobicContact CE1-CD1 3.73Å; L1105-L1181 HydrophobicContact CD2-CB 3.75Å; S1177-L1181 PolarHBondContact O-N 2.93Å; S1177-L1181 VanDerWaalsContact O-N 3.14Å; L1178-L1181 PolarHBondContact O-N 2.89Å; L1178-L1181 VanDerWaalsContact O-N 3.08Å; L1181-Q1183 VanDerWaalsContact C-N 3.31Å; L1181-Q1183 PolarHBondContact O-N 3.18Å; L1181-L1184 WeakPolarHBondContact O-CB 3.3Å; L1181-L1184 PolarHBondContact O-N 2.69Å; L1181-G1185 PolarHBondContact O-N 3.13Å |
| 1182 | T | 78.9 | Confident | 78.4 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | L1178 L1184 G1185 V1186 | L1178-T1182 WeakPolarHBondContact O-CB 3.14Å; L1178-T1182 PolarHBondContact O-N 3.22Å; L1178-T1182 PolarHBondContact O-OG1 3.1Å; T1182-L1184 VanDerWaalsContact C-N 3.3Å; T1182-L1184 PolarHBondContact O-N 3.03Å; T1182-G1185 PolarHBondContact O-N 3.08Å; T1182-V1186 WeakPolarHBondContact O-CG2 3.21Å; T1182-V1186 PolarHBondContact O-N 3.17Å |
| 1183 | Q | 78.2 | Confident | 77.5 | Confident | 125 Ų | 125 | 50.6 Ų | 50.6 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.3 | -42.1 | 173 | -174.2 | 178 | 1.8 | 0 | 0 | 111.7 | G1179 L1181 Q1187 | G1179-Q1183 PolarHBondContact O-N 3.44Å; L1181-Q1183 VanDerWaalsContact C-N 3.31Å; L1181-Q1183 PolarHBondContact O-N 3.18Å; Q1183-Q1187 WeakPolarHBondContact O-CG 3.4Å; Q1183-Q1187 PolarHBondContact O-N 3.05Å |
| 1184 | L | 78.2 | Confident | 76.7 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -47.8 | 174.3 | -178.9 | 65.3 | 0 | 0 | 0 | 111.7 | L1101 N1180 L1181 T1182 V1186 Q1187 V1188 L1220 | L1101-L1184 HydrophobicContact CD1-CD2 4.4Å; N1180-L1184 PolarHBondContact O-N 2.75Å; L1181-L1184 WeakPolarHBondContact O-CB 3.3Å; L1181-L1184 PolarHBondContact O-N 2.69Å; T1182-L1184 VanDerWaalsContact C-N 3.3Å; T1182-L1184 PolarHBondContact O-N 3.03Å; L1184-V1186 VanDerWaalsContact C-N 3.31Å; L1184-V1186 PolarHBondContact O-N 3.1Å; L1184-Q1187 WeakPolarHBondContact O-CB 3.39Å; L1184-Q1187 PolarHBondContact O-N 3.11Å; L1184-Q1187 VanDerWaalsContact O-N 3.1Å; L1184-V1188 HydrophobicContact CD1-CG2 4.5Å; L1184-V1188 VanDerWaalsContact O-CG2 3.3Å; L1184-V1188 WeakPolarHBondContact O-CG2 3.17Å; L1184-V1188 PolarHBondContact O-N 2.58Å; L1184-L1220 HydrophobicContact CD1-CB 4.04Å; L1184-L1220 HydrophobicContact CD1-CD2 4.31Å; L1184-L1220 WeakPolarHBondContact CD1-O 3.36Å |
| 1185 | G | 72.9 | Confident | 75.5 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1181 T1182 Q1187 V1188 E1189 | L1181-G1185 PolarHBondContact O-N 3.13Å; T1182-G1185 PolarHBondContact O-N 3.08Å; G1185-Q1187 PolarHBondContact O-N 3.17Å; G1185-V1188 PolarHBondContact O-N 2.87Å; G1185-E1189 WeakPolarHBondContact O-CG 3.34Å; G1185-E1189 PolarHBondContact O-N 3.01Å |
| 1186 | V | 74.6 | Confident | 74.2 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | T1182 L1184 V1188 T1190 | T1182-V1186 WeakPolarHBondContact O-CG2 3.21Å; T1182-V1186 PolarHBondContact O-N 3.17Å; L1184-V1186 VanDerWaalsContact C-N 3.31Å; L1184-V1186 PolarHBondContact O-N 3.1Å; V1186-V1188 VanDerWaalsContact C-N 3.29Å; V1186-V1188 PolarHBondContact O-N 3.38Å; V1186-T1190 WeakPolarHBondContact O-CB 3.21Å; V1186-T1190 PolarHBondContact O-N 2.94Å; V1186-T1190 PolarHBondContact O-OG1 3.22Å |
| 1187 | Q | 77.3 | Confident | 73 | Confident | 82 Ų | 82 | 52 Ų | 52 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 177.1 | -69.1 | 174.3 | -28.2 | 0 | 0 | 111.7 | Q1183 L1184 G1185 L1191 L1220 | Q1183-Q1187 WeakPolarHBondContact O-CG 3.4Å; Q1183-Q1187 PolarHBondContact O-N 3.05Å; L1184-Q1187 WeakPolarHBondContact O-CB 3.39Å; L1184-Q1187 PolarHBondContact O-N 3.11Å; L1184-Q1187 VanDerWaalsContact O-N 3.1Å; G1185-Q1187 PolarHBondContact O-N 3.17Å; Q1187-L1191 WeakPolarHBondContact O-CG 3.04Å; Q1187-L1191 PolarHBondContact O-N 3.2Å; Q1187-L1220 HydrophobicContact CB-CD1 3.6Å; Q1187-L1220 HydrophobicContact CB-CD2 4.15Å; Q1187-L1220 VanDerWaalsContact OE1-CD2 3.23Å |
| 1188 | V | 75 | Confident | 71.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -48.7 | 179 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L1098 L1101 L1184 G1185 V1186 T1190 L1191 V1192 L1217 L1220 I1222 | L1098-V1188 HydrophobicContact CD1-CG1 3.36Å; L1101-V1188 HydrophobicContact CD2-CG2 4.31Å; L1184-V1188 HydrophobicContact CD1-CG2 4.5Å; L1184-V1188 VanDerWaalsContact O-CG2 3.3Å; L1184-V1188 WeakPolarHBondContact O-CG2 3.17Å; L1184-V1188 PolarHBondContact O-N 2.58Å; G1185-V1188 PolarHBondContact O-N 2.87Å; V1186-V1188 VanDerWaalsContact C-N 3.29Å; V1186-V1188 PolarHBondContact O-N 3.38Å; V1188-T1190 VanDerWaalsContact C-N 3.26Å; V1188-T1190 PolarHBondContact O-N 3.05Å; V1188-L1191 PolarHBondContact O-N 3.17Å; V1188-L1191 VanDerWaalsContact O-N 3.09Å; V1188-V1192 HydrophobicContact CG1-CG2 4.48Å; V1188-V1192 WeakPolarHBondContact O-CG2 3.45Å; V1188-V1192 PolarHBondContact O-N 3.41Å; V1188-L1217 HydrophobicContact CB-CD2 4.37Å; V1188-L1217 HydrophobicContact CG1-CD2 3.85Å; V1188-L1217 HydrophobicContact CG2-CD2 4.47Å; V1188-L1220 HydrophobicContact CG2-CD1 4.01Å; V1188-I1222 HydrophobicContact CB-CG1 4.42Å; V1188-I1222 HydrophobicContact CG1-CG1 4.16Å; V1188-I1222 HydrophobicContact CG2-CD1 3.67Å; V1188-I1222 HydrophobicContact CG2-CG1 3.35Å |
| 1189 | E | 70.2 | Confident | 70.4 | Confident | 82 Ų | 82 | 56.2 Ų | 56.2 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 176.9 | -69.1 | -61.4 | 156.6 | 0 | 0 | 111.9 | R1102 G1185 L1191 V1192 G1193 | R1102-E1189 IonicContact CZ-OE1 2.58Å; R1102-E1189 IonicContact NE-OE1 3.38Å; R1102-E1189 PolarHBondContact NE-OE1 3.48Å; R1102-E1189 VanDerWaalsContact NH2-CD 3.27Å; R1102-E1189 IonicContact NH2-OE1 3.32Å; R1102-E1189 PolarHBondContact NH2-OE1 3.33Å; R1102-E1189 IonicContact NH2-OE2 3.13Å; R1102-E1189 PolarHBondContact NH2-OE2 2.95Å; G1185-E1189 WeakPolarHBondContact O-CG 3.34Å; G1185-E1189 PolarHBondContact O-N 3.01Å; E1189-L1191 VanDerWaalsContact C-N 3.33Å; E1189-L1191 PolarHBondContact O-N 3.05Å; E1189-V1192 PolarHBondContact O-N 2.97Å; E1189-G1193 PolarHBondContact O-N 3.16Å |
| 1190 | T | 73.8 | Confident | 68.9 | Low | 84 Ų | 84 | 58.7 Ų | 58.7 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.8 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | V1186 V1188 G1193 V1194 | V1186-T1190 WeakPolarHBondContact O-CB 3.21Å; V1186-T1190 PolarHBondContact O-N 2.94Å; V1186-T1190 PolarHBondContact O-OG1 3.22Å; V1188-T1190 VanDerWaalsContact C-N 3.26Å; V1188-T1190 PolarHBondContact O-N 3.05Å; T1190-G1193 PolarHBondContact O-N 2.7Å; T1190-V1194 VanDerWaalsContact O-CG2 3.32Å; T1190-V1194 WeakPolarHBondContact O-CG2 3.27Å; T1190-V1194 PolarHBondContact O-N 3.46Å |
| 1191 | L | 70.5 | Confident | 67.7 | Low | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.6 | -35.1 | 178.1 | -69.7 | 169.2 | 0 | 0 | 0 | 112.9 | Q1187 V1188 E1189 G1193 V1194 L1195 R1216 L1217 L1220 | Q1187-L1191 WeakPolarHBondContact O-CG 3.04Å; Q1187-L1191 PolarHBondContact O-N 3.2Å; V1188-L1191 PolarHBondContact O-N 3.17Å; V1188-L1191 VanDerWaalsContact O-N 3.09Å; E1189-L1191 VanDerWaalsContact C-N 3.33Å; E1189-L1191 PolarHBondContact O-N 3.05Å; L1191-G1193 VanDerWaalsContact C-N 3.32Å; L1191-V1194 PolarHBondContact O-N 3.38Å; L1191-L1195 WeakPolarHBondContact O-CB 3.38Å; L1191-L1195 WeakPolarHBondContact O-CG 3.46Å; L1191-L1195 PolarHBondContact O-N 3.32Å; L1191-R1216 HydrophobicContact CD1-CB 3.55Å; L1191-R1216 HydrophobicContact CD2-CB 3.58Å; L1191-R1216 HydrophobicContact CD2-CG 4.22Å; L1191-R1216 HydrophobicContact CG-CB 4.23Å; L1191-L1217 HydrophobicContact CB-CD2 3.8Å; L1191-L1217 HydrophobicContact CB-CG 3.94Å; L1191-L1217 HydrophobicContact CD1-CD2 3.9Å; L1191-L1217 HydrophobicContact CD1-CG 3.99Å; L1191-L1220 HydrophobicContact CD1-CD1 3.41Å; L1191-L1220 VanDerWaalsContact CD1-CD1 3.41Å; L1191-L1220 HydrophobicContact CD1-CG 4.38Å |
| 1192 | V | 66.3 | Low | 66.2 | Low | 35 Ų | 35 | 62.1 Ų | 62.1 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 171 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L1098 V1188 E1189 L1195 T1196 | L1098-V1192 HydrophobicContact CD2-CG2 4.31Å; V1188-V1192 HydrophobicContact CG1-CG2 4.48Å; V1188-V1192 WeakPolarHBondContact O-CG2 3.45Å; V1188-V1192 PolarHBondContact O-N 3.41Å; E1189-V1192 PolarHBondContact O-N 2.97Å; V1192-L1195 PolarHBondContact O-N 3.04Å; V1192-T1196 WeakPolarHBondContact O-CB 3.48Å; V1192-T1196 PolarHBondContact O-N 3.11Å; V1192-T1196 PolarHBondContact O-OG1 2.96Å |
| 1193 | G | 62.7 | Low | 64.7 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1189 T1190 L1191 T1196 E1197 | E1189-G1193 PolarHBondContact O-N 3.16Å; T1190-G1193 PolarHBondContact O-N 2.7Å; L1191-G1193 VanDerWaalsContact C-N 3.32Å; G1193-T1196 WeakPolarHBondContact O-CB 3.43Å; G1193-T1196 PolarHBondContact O-N 3.44Å; G1193-E1197 WeakPolarHBondContact O-CB 3.21Å; G1193-E1197 PolarHBondContact O-N 3.12Å |
| 1194 | V | 66.7 | Low | 63.1 | Low | 48 Ų | 48 | 68 Ų | 68 | 29% | 0.291 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 173.9 | 168.3 | 0 | 0 | 0 | 0 | 111 | T1190 L1191 T1196 E1197 I1198 A1213 | T1190-V1194 VanDerWaalsContact O-CG2 3.32Å; T1190-V1194 WeakPolarHBondContact O-CG2 3.27Å; T1190-V1194 PolarHBondContact O-N 3.46Å; L1191-V1194 PolarHBondContact O-N 3.38Å; V1194-T1196 VanDerWaalsContact C-N 3.29Å; V1194-T1196 PolarHBondContact O-N 2.96Å; V1194-E1197 PolarHBondContact O-N 3.31Å; V1194-I1198 HydrophobicContact CG1-CD1 3.43Å; V1194-I1198 VanDerWaalsContact CG1-CD1 3.43Å; V1194-I1198 HydrophobicContact CG1-CG1 4.17Å; V1194-I1198 WeakPolarHBondContact O-CB 2.88Å; V1194-I1198 VanDerWaalsContact O-CD1 3.28Å; V1194-I1198 WeakPolarHBondContact O-CD1 3.18Å; V1194-I1198 WeakPolarHBondContact O-CG1 3.19Å; V1194-I1198 PolarHBondContact O-N 2.53Å; V1194-A1213 HydrophobicContact CG1-CB 4.25Å |
| 1195 | L | 61.2 | Low | 61.9 | Low | 24 Ų | 24 | 68.7 Ų | 68.7 | 13% | 0.126 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58 | -42.3 | 174.4 | -79.8 | 165.3 | 0 | 0 | 0 | 111.9 | L1191 V1192 I1198 L1199 I1210 A1213 L1214 L1217 | L1191-L1195 WeakPolarHBondContact O-CB 3.38Å; L1191-L1195 WeakPolarHBondContact O-CG 3.46Å; L1191-L1195 PolarHBondContact O-N 3.32Å; V1192-L1195 PolarHBondContact O-N 3.04Å; L1195-I1198 PolarHBondContact O-N 3.09Å; L1195-L1199 VanDerWaalsContact O-CB 3.28Å; L1195-L1199 WeakPolarHBondContact O-CB 3.49Å; L1195-L1199 WeakPolarHBondContact O-CD1 3.33Å; L1195-L1199 WeakPolarHBondContact O-CG 3.43Å; L1195-L1199 PolarHBondContact O-N 3.45Å; L1195-I1210 HydrophobicContact CD2-CB 4.4Å; L1195-I1210 HydrophobicContact CD2-CG1 4.43Å; L1195-I1210 HydrophobicContact CD2-CG2 4.03Å; L1195-A1213 HydrophobicContact CD1-CB 4.38Å; L1195-A1213 HydrophobicContact CD2-CB 3.63Å; L1195-A1213 HydrophobicContact CG-CB 3.63Å; L1195-L1214 HydrophobicContact CD1-CD2 4.24Å; L1195-L1214 HydrophobicContact CD2-CG 4.28Å; L1195-L1217 HydrophobicContact CD1-CD1 3.56Å |
| 1196 | T | 58.3 | Low | 61 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.6 | -54 | 0 | 0 | 0 | 0 | 111.3 | V1192 G1193 V1194 S1200 | V1192-T1196 WeakPolarHBondContact O-CB 3.48Å; V1192-T1196 PolarHBondContact O-N 3.11Å; V1192-T1196 PolarHBondContact O-OG1 2.96Å; G1193-T1196 WeakPolarHBondContact O-CB 3.43Å; G1193-T1196 PolarHBondContact O-N 3.44Å; V1194-T1196 VanDerWaalsContact C-N 3.29Å; V1194-T1196 PolarHBondContact O-N 2.96Å; T1196-S1200 WeakPolarHBondContact O-CB 3.48Å; T1196-S1200 PolarHBondContact O-N 2.93Å; T1196-S1200 VanDerWaalsContact O-N 3.08Å; T1196-S1200 PolarHBondContact O-OG 3.4Å |
| 1197 | E | 59.1 | Low | 59.6 | Low | 145 Ų | 145 | 73.4 Ų | 73.4 | 68% | 0.678 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -67.6 | -42 | 177.8 | -169.3 | 176.7 | -178.6 | 0 | 0 | 111.9 | G1193 V1194 S1200 S1201 | G1193-E1197 WeakPolarHBondContact O-CB 3.21Å; G1193-E1197 PolarHBondContact O-N 3.12Å; V1194-E1197 PolarHBondContact O-N 3.31Å; E1197-S1200 CarbonylContact O-C 3.21Å; E1197-S1200 WeakPolarHBondContact O-CB 3.46Å; E1197-S1200 PolarHBondContact O-N 2.64Å; E1197-S1200 VanDerWaalsContact O-N 3.13Å; E1197-S1201 PolarHBondContact O-N 3.18Å; E1197-S1201 VanDerWaalsContact O-N 3.11Å |
| 1198 | I | 61.2 | Low | 58.6 | Low | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.046 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 177.2 | -65.1 | 158.5 | 0 | 0 | 0 | 110.5 | V1194 L1195 S1200 S1201 I1206 E1209 I1210 A1213 | V1194-I1198 HydrophobicContact CG1-CD1 3.43Å; V1194-I1198 VanDerWaalsContact CG1-CD1 3.43Å; V1194-I1198 HydrophobicContact CG1-CG1 4.17Å; V1194-I1198 WeakPolarHBondContact O-CB 2.88Å; V1194-I1198 VanDerWaalsContact O-CD1 3.28Å; V1194-I1198 WeakPolarHBondContact O-CD1 3.18Å; V1194-I1198 WeakPolarHBondContact O-CG1 3.19Å; V1194-I1198 PolarHBondContact O-N 2.53Å; L1195-I1198 PolarHBondContact O-N 3.09Å; I1198-S1200 PolarHBondContact O-N 3.44Å; I1198-S1201 PolarHBondContact O-N 2.85Å; I1198-S1201 VanDerWaalsContact O-N 3.15Å; I1198-S1201 PolarHBondContact O-OG 2.96Å; I1198-I1206 HydrophobicContact CG2-CB 4.28Å; I1198-I1206 HydrophobicContact CG2-CG2 3.86Å; I1198-I1206 WeakPolarHBondContact CG2-O 3.26Å; I1198-E1209 HydrophobicContact CB-CB 4.48Å; I1198-E1209 VanDerWaalsContact CD1-C 3.48Å; I1198-E1209 HydrophobicContact CD1-CB 3.56Å; I1198-E1209 WeakPolarHBondContact CD1-O 3.31Å; I1198-E1209 HydrophobicContact CG1-CB 3.75Å; I1198-E1209 HydrophobicContact CG2-CB 3.83Å; I1198-I1210 HydrophobicContact CB-CG1 4.34Å; I1198-I1210 HydrophobicContact CG2-CD1 4.23Å; I1198-I1210 HydrophobicContact CG2-CG1 3.53Å; I1198-A1213 HydrophobicContact CD1-CB 4.31Å |
| 1199 | L | 52.5 | Low | 57.8 | Low | 110 Ų | 110 | 79.9 Ų | 79.9 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.2 | -18.8 | 175.7 | -71.7 | 167.3 | 0 | 0 | 0 | 113 | L1195 I1210 | L1195-L1199 VanDerWaalsContact O-CB 3.28Å; L1195-L1199 WeakPolarHBondContact O-CB 3.49Å; L1195-L1199 WeakPolarHBondContact O-CD1 3.33Å; L1195-L1199 WeakPolarHBondContact O-CG 3.43Å; L1195-L1199 PolarHBondContact O-N 3.45Å; L1199-I1210 HydrophobicContact CD2-CD1 3.65Å; L1199-I1210 HydrophobicContact CG-CD1 4.25Å |
| 1200 | S | 49.3 | Very low | 57.1 | Low | 91 Ų | 91 | 77.5 Ų | 77.5 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -92.7 | -11.6 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | T1196 E1197 I1198 | T1196-S1200 WeakPolarHBondContact O-CB 3.48Å; T1196-S1200 PolarHBondContact O-N 2.93Å; T1196-S1200 VanDerWaalsContact O-N 3.08Å; T1196-S1200 PolarHBondContact O-OG 3.4Å; E1197-S1200 CarbonylContact O-C 3.21Å; E1197-S1200 WeakPolarHBondContact O-CB 3.46Å; E1197-S1200 PolarHBondContact O-N 2.64Å; E1197-S1200 VanDerWaalsContact O-N 3.13Å; I1198-S1200 PolarHBondContact O-N 3.44Å |
| 1201 | S | 54.8 | Low | 56.4 | Low | 32 Ų | 32 | 75.3 Ų | 75.3 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | trans | -84.8 | 145.4 | -179.3 | 85.4 | 0 | 0 | 0 | 0 | 111.3 | E1197 I1198 R1203 I1206 | E1197-S1201 PolarHBondContact O-N 3.18Å; E1197-S1201 VanDerWaalsContact O-N 3.11Å; I1198-S1201 PolarHBondContact O-N 2.85Å; I1198-S1201 VanDerWaalsContact O-N 3.15Å; I1198-S1201 PolarHBondContact O-OG 2.96Å; S1201-R1203 VanDerWaalsContact C-N 3.28Å; S1201-R1203 PolarHBondContact O-N 2.87Å; S1201-I1206 WeakPolarHBondContact O-CD1 3.48Å; S1201-I1206 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 1202 | S | 47.9 | Very low | 56.3 | Low | 128 Ų | 128 | 78.8 Ų | 78.8 | 90% | 0.895 | 44% | 0.441 | S | S | * | . | trans | -93.2 | 28.7 | 175.2 | 59 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1203 | R | 48.9 | Very low | 56.2 | Low | 168 Ų | 168 | 77.2 Ų | 77.2 | 63% | 0.634 | 43% | 0.432 | S | S | * | . | trans | -89.6 | 143.7 | -171.7 | -65.7 | -177.5 | 177.9 | -179 | 2.4 | 111.3 | S1201 S1205 I1206 | S1201-R1203 VanDerWaalsContact C-N 3.28Å; S1201-R1203 PolarHBondContact O-N 2.87Å; R1203-S1205 PolarHBondContact O-N 3.04Å; R1203-S1205 VanDerWaalsContact O-N 3.14Å; R1203-I1206 HydrophobicContact CB-CG1 4.47Å; R1203-I1206 WeakPolarHBondContact O-CD1 2.95Å; R1203-I1206 WeakPolarHBondContact O-CG1 3.39Å | ||
| 1204 | S | 44.1 | Very low | 56.1 | Low | 133 Ų | 133 | 78.7 Ų | 78.7 | 93% | 0.93 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -3.8 | 175 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1205 | S | 52.1 | Low | 56.3 | Low | 47 Ų | 47 | 82.1 Ų | 82.1 | 33% | 0.329 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.2 | 179.7 | 61.9 | 0 | 0 | 0 | 0 | 115.3 | R1203 Y1207 Q1208 E1209 | R1203-S1205 PolarHBondContact O-N 3.04Å; R1203-S1205 VanDerWaalsContact O-N 3.14Å; S1205-Y1207 PolarHBondContact O-N 3.34Å; S1205-Y1207 VanDerWaalsContact O-N 3.07Å; S1205-Q1208 PolarHBondContact O-N 3.21Å; S1205-E1209 PolarHBondContact OG-OE1 2.87Å |
| 1206 | I | 53.7 | Low | 57 | Low | 35 Ų | 35 | 87.9 Ų | 87.9 | 18% | 0.179 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -49.6 | -39.1 | -173.4 | -73 | 159.4 | 0 | 0 | 0 | 113.2 | I1198 S1201 R1203 Q1208 E1209 I1210 | I1198-I1206 HydrophobicContact CG2-CB 4.28Å; I1198-I1206 HydrophobicContact CG2-CG2 3.86Å; I1198-I1206 WeakPolarHBondContact CG2-O 3.26Å; S1201-I1206 WeakPolarHBondContact O-CD1 3.48Å; S1201-I1206 WeakPolarHBondContact OG-CG1 3.43Å; R1203-I1206 HydrophobicContact CB-CG1 4.47Å; R1203-I1206 WeakPolarHBondContact O-CD1 2.95Å; R1203-I1206 WeakPolarHBondContact O-CG1 3.39Å; I1206-Q1208 PolarHBondContact O-N 3.48Å; I1206-E1209 PolarHBondContact O-N 3.23Å; I1206-I1210 HydrophobicContact CG2-CD1 3.51Å; I1206-I1210 HydrophobicContact CG2-CG1 4.19Å; I1206-I1210 VanDerWaalsContact O-CG1 3.31Å; I1206-I1210 WeakPolarHBondContact O-CG1 3.39Å; I1206-I1210 PolarHBondContact O-N 3.34Å |
| 1207 | Y | 46.7 | Very low | 57.4 | Low | 162 Ų | 162 | 84.7 Ų | 84.7 | 64% | 0.635 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70.1 | -34.5 | -171.3 | -64.8 | -76.6 | 0 | 0 | 0 | 114.3 | S1205 G1211 | S1205-Y1207 PolarHBondContact O-N 3.34Å; S1205-Y1207 VanDerWaalsContact O-N 3.07Å; Y1207-G1211 PolarHBondContact O-N 2.91Å |
| 1208 | Q | 56.5 | Low | 57.8 | Low | 152 Ų | 152 | 84.8 Ų | 84.8 | 71% | 0.71 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -72.7 | -38 | 178.2 | -163.6 | 169.9 | 5.6 | 0 | 0 | 110.7 | S1205 I1206 G1211 D1212 | S1205-Q1208 PolarHBondContact O-N 3.21Å; I1206-Q1208 PolarHBondContact O-N 3.48Å; Q1208-G1211 PolarHBondContact O-N 2.69Å; Q1208-D1212 PolarHBondContact O-N 3.47Å |
| 1209 | E | 56.7 | Low | 58.4 | Low | 66 Ų | 66 | 88.9 Ų | 88.9 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 177.6 | -62.1 | 171.6 | -148.6 | 0 | 0 | 111.5 | I1198 S1205 I1206 D1212 A1213 | I1198-E1209 HydrophobicContact CB-CB 4.48Å; I1198-E1209 VanDerWaalsContact CD1-C 3.48Å; I1198-E1209 HydrophobicContact CD1-CB 3.56Å; I1198-E1209 WeakPolarHBondContact CD1-O 3.31Å; I1198-E1209 HydrophobicContact CG1-CB 3.75Å; I1198-E1209 HydrophobicContact CG2-CB 3.83Å; S1205-E1209 PolarHBondContact OG-OE1 2.87Å; I1206-E1209 PolarHBondContact O-N 3.23Å; E1209-D1212 PolarHBondContact O-N 3.3Å; E1209-A1213 WeakPolarHBondContact O-CB 3.16Å; E1209-A1213 PolarHBondContact O-N 3.08Å |
| 1210 | I | 56.8 | Low | 59.3 | Low | 33 Ų | 33 | 85.7 Ų | 85.7 | 17% | 0.169 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 172.1 | -68.9 | 172.4 | 0 | 0 | 0 | 110.6 | L1195 I1198 L1199 I1206 D1212 A1213 L1214 | L1195-I1210 HydrophobicContact CD2-CB 4.4Å; L1195-I1210 HydrophobicContact CD2-CG1 4.43Å; L1195-I1210 HydrophobicContact CD2-CG2 4.03Å; I1198-I1210 HydrophobicContact CB-CG1 4.34Å; I1198-I1210 HydrophobicContact CG2-CD1 4.23Å; I1198-I1210 HydrophobicContact CG2-CG1 3.53Å; L1199-I1210 HydrophobicContact CD2-CD1 3.65Å; L1199-I1210 HydrophobicContact CG-CD1 4.25Å; I1206-I1210 HydrophobicContact CG2-CD1 3.51Å; I1206-I1210 HydrophobicContact CG2-CG1 4.19Å; I1206-I1210 VanDerWaalsContact O-CG1 3.31Å; I1206-I1210 WeakPolarHBondContact O-CG1 3.39Å; I1206-I1210 PolarHBondContact O-N 3.34Å; I1210-D1212 VanDerWaalsContact C-N 3.33Å; I1210-D1212 PolarHBondContact O-N 3Å; I1210-A1213 PolarHBondContact O-N 3.5Å; I1210-L1214 HydrophobicContact CG2-CD1 3.8Å; I1210-L1214 HydrophobicContact CG2-CG 4.26Å; I1210-L1214 WeakPolarHBondContact O-CB 3.24Å; I1210-L1214 WeakPolarHBondContact O-CG 3.47Å; I1210-L1214 PolarHBondContact O-N 3.36Å |
| 1211 | G | 57.8 | Low | 60.2 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 38% | 0.381 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1207 Q1208 H1215 | Y1207-G1211 PolarHBondContact O-N 2.91Å; Q1208-G1211 PolarHBondContact O-N 2.69Å; G1211-H1215 VanDerWaalsContact O-CB 3.24Å; G1211-H1215 WeakPolarHBondContact O-CB 3.47Å; G1211-H1215 PolarHBondContact O-N 2.78Å |
| 1212 | D | 68.5 | Low | 60.8 | Low | 86 Ų | 86 | 81.4 Ų | 81.4 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.3 | -77.9 | -13.3 | 0 | 0 | 0 | 112.3 | Q1208 E1209 I1210 H1215 R1216 | Q1208-D1212 PolarHBondContact O-N 3.47Å; E1209-D1212 PolarHBondContact O-N 3.3Å; I1210-D1212 VanDerWaalsContact C-N 3.33Å; I1210-D1212 PolarHBondContact O-N 3Å; D1212-H1215 PolarHBondContact O-N 2.55Å; D1212-R1216 WeakPolarHBondContact O-CB 3.41Å; D1212-R1216 WeakPolarHBondContact O-CG 3.45Å; D1212-R1216 PolarHBondContact O-N 2.85Å |
| 1213 | A | 64.6 | Low | 61.3 | Low | 2 Ų | 2 | 77.6 Ų | 77.6 | 2% | 0.017 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.3 | -39.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1194 L1195 I1198 E1209 I1210 R1216 L1217 | V1194-A1213 HydrophobicContact CG1-CB 4.25Å; L1195-A1213 HydrophobicContact CD1-CB 4.38Å; L1195-A1213 HydrophobicContact CD2-CB 3.63Å; L1195-A1213 HydrophobicContact CG-CB 3.63Å; I1198-A1213 HydrophobicContact CD1-CB 4.31Å; E1209-A1213 WeakPolarHBondContact O-CB 3.16Å; E1209-A1213 PolarHBondContact O-N 3.08Å; I1210-A1213 PolarHBondContact O-N 3.5Å; A1213-R1216 PolarHBondContact O-N 3.41Å; A1213-L1217 PolarHBondContact O-N 3.4Å |
| 1214 | L | 61.8 | Low | 61.3 | Low | 66 Ų | 66 | 72.5 Ų | 72.5 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 172.2 | -71.2 | 174.1 | 0 | 0 | 0 | 112 | L1195 I1210 R1216 L1217 K1218 | L1195-L1214 HydrophobicContact CD1-CD2 4.24Å; L1195-L1214 HydrophobicContact CD2-CG 4.28Å; I1210-L1214 HydrophobicContact CG2-CD1 3.8Å; I1210-L1214 HydrophobicContact CG2-CG 4.26Å; I1210-L1214 WeakPolarHBondContact O-CB 3.24Å; I1210-L1214 WeakPolarHBondContact O-CG 3.47Å; I1210-L1214 PolarHBondContact O-N 3.36Å; L1214-R1216 VanDerWaalsContact C-N 3.34Å; L1214-R1216 PolarHBondContact O-N 3.29Å; L1214-L1217 HydrophobicContact CD2-CD1 4.48Å; L1214-L1217 PolarHBondContact O-N 2.95Å; L1214-K1218 PolarHBondContact O-N 3.1Å |
| 1215 | H | 70 | Confident | 61.3 | Low | 120 Ų | 120 | 69.9 Ų | 69.9 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 174.4 | -177.8 | -74.7 | 0 | 0 | 0 | 111.3 | G1211 D1212 K1218 C1219 | G1211-H1215 VanDerWaalsContact O-CB 3.24Å; G1211-H1215 WeakPolarHBondContact O-CB 3.47Å; G1211-H1215 PolarHBondContact O-N 2.78Å; D1212-H1215 PolarHBondContact O-N 2.55Å; H1215-K1218 WeakPolarHBondContact O-CB 3.42Å; H1215-K1218 PolarHBondContact O-N 2.89Å; H1215-C1219 PolarHBondContact CE1-SG 3.5Å; H1215-C1219 PolarHBondContact ND1-SG 3.41Å; H1215-C1219 PolarHBondContact O-N 2.85Å; H1215-C1219 PolarHBondContact O-SG 3.1Å |
| 1216 | R | 75.4 | Confident | 60.9 | Low | 145 Ų | 145 | 73.4 Ų | 73.4 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176 | -73.2 | 173.7 | -173.3 | -169.2 | 3.4 | 112.5 | L1191 D1212 A1213 L1214 K1218 C1219 L1220 | L1191-R1216 HydrophobicContact CD1-CB 3.55Å; L1191-R1216 HydrophobicContact CD2-CB 3.58Å; L1191-R1216 HydrophobicContact CD2-CG 4.22Å; L1191-R1216 HydrophobicContact CG-CB 4.23Å; D1212-R1216 WeakPolarHBondContact O-CB 3.41Å; D1212-R1216 WeakPolarHBondContact O-CG 3.45Å; D1212-R1216 PolarHBondContact O-N 2.85Å; A1213-R1216 PolarHBondContact O-N 3.41Å; L1214-R1216 VanDerWaalsContact C-N 3.34Å; L1214-R1216 PolarHBondContact O-N 3.29Å; R1216-K1218 VanDerWaalsContact C-N 3.33Å; R1216-K1218 PolarHBondContact O-N 2.91Å; R1216-C1219 WeakPolarHBondContact O-CB 3.45Å; R1216-C1219 PolarHBondContact O-N 3.02Å; R1216-L1220 WeakPolarHBondContact O-CG 3.15Å; R1216-L1220 PolarHBondContact O-N 2.93Å; R1216-L1220 VanDerWaalsContact O-N 3.08Å |
| 1217 | L | 67.6 | Low | 59.8 | Low | 11 Ų | 11 | 73.6 Ų | 73.6 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 174 | -76.9 | 171.2 | 0 | 0 | 0 | 111.6 | V1188 L1191 L1195 A1213 L1214 C1219 L1220 I1222 | V1188-L1217 HydrophobicContact CB-CD2 4.37Å; V1188-L1217 HydrophobicContact CG1-CD2 3.85Å; V1188-L1217 HydrophobicContact CG2-CD2 4.47Å; L1191-L1217 HydrophobicContact CB-CD2 3.8Å; L1191-L1217 HydrophobicContact CB-CG 3.94Å; L1191-L1217 HydrophobicContact CD1-CD2 3.9Å; L1191-L1217 HydrophobicContact CD1-CG 3.99Å; L1195-L1217 HydrophobicContact CD1-CD1 3.56Å; A1213-L1217 PolarHBondContact O-N 3.4Å; L1214-L1217 HydrophobicContact CD2-CD1 4.48Å; L1214-L1217 PolarHBondContact O-N 2.95Å; L1217-C1219 VanDerWaalsContact C-N 3.35Å; L1217-C1219 PolarHBondContact O-N 3.28Å; L1217-L1220 PolarHBondContact O-N 2.83Å; L1217-L1220 VanDerWaalsContact O-N 3.16Å; L1217-I1222 WeakPolarHBondContact O-CB 3.27Å; L1217-I1222 PolarHBondContact O-N 2.83Å; L1217-I1222 VanDerWaalsContact O-N 3.11Å |
| 1218 | K | 66.3 | Low | 59.1 | Low | 148 Ų | 148 | 72.6 Ų | 72.6 | 64% | 0.643 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 174.3 | -168.2 | 176.3 | -176.8 | 175.4 | 0 | 112.2 | L1214 H1215 R1216 L1220 G1221 | L1214-K1218 PolarHBondContact O-N 3.1Å; H1215-K1218 WeakPolarHBondContact O-CB 3.42Å; H1215-K1218 PolarHBondContact O-N 2.89Å; R1216-K1218 VanDerWaalsContact C-N 3.33Å; R1216-K1218 PolarHBondContact O-N 2.91Å; K1218-L1220 VanDerWaalsContact C-N 3.25Å; K1218-L1220 PolarHBondContact O-N 2.78Å; K1218-G1221 PolarHBondContact O-N 3.13Å; K1218-G1221 VanDerWaalsContact O-N 3.13Å |
| 1219 | C | 75.1 | Confident | 57.8 | Low | 94 Ų | 94 | 71.9 Ų | 71.9 | 64% | 0.635 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.9 | -24.7 | 174.5 | -70.6 | 0 | 0 | 0 | 0 | 113.9 | H1215 R1216 L1217 G1221 | H1215-C1219 PolarHBondContact CE1-SG 3.5Å; H1215-C1219 PolarHBondContact ND1-SG 3.41Å; H1215-C1219 PolarHBondContact O-N 2.85Å; H1215-C1219 PolarHBondContact O-SG 3.1Å; R1216-C1219 WeakPolarHBondContact O-CB 3.45Å; R1216-C1219 PolarHBondContact O-N 3.02Å; L1217-C1219 VanDerWaalsContact C-N 3.35Å; L1217-C1219 PolarHBondContact O-N 3.28Å; C1219-G1221 PolarHBondContact O-N 3.03Å |
| 1220 | L | 71.5 | Confident | 56.5 | Low | 44 Ų | 44 | 72.4 Ų | 72.4 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 4.9 | 174.5 | -67.6 | 177.1 | 0 | 0 | 0 | 113 | L1184 Q1187 V1188 L1191 R1216 L1217 K1218 I1222 | L1184-L1220 HydrophobicContact CD1-CB 4.04Å; L1184-L1220 HydrophobicContact CD1-CD2 4.31Å; L1184-L1220 WeakPolarHBondContact CD1-O 3.36Å; Q1187-L1220 HydrophobicContact CB-CD1 3.6Å; Q1187-L1220 HydrophobicContact CB-CD2 4.15Å; Q1187-L1220 VanDerWaalsContact OE1-CD2 3.23Å; V1188-L1220 HydrophobicContact CG2-CD1 4.01Å; L1191-L1220 HydrophobicContact CD1-CD1 3.41Å; L1191-L1220 VanDerWaalsContact CD1-CD1 3.41Å; L1191-L1220 HydrophobicContact CD1-CG 4.38Å; R1216-L1220 WeakPolarHBondContact O-CG 3.15Å; R1216-L1220 PolarHBondContact O-N 2.93Å; R1216-L1220 VanDerWaalsContact O-N 3.08Å; L1217-L1220 PolarHBondContact O-N 2.83Å; L1217-L1220 VanDerWaalsContact O-N 3.16Å; K1218-L1220 VanDerWaalsContact C-N 3.25Å; K1218-L1220 PolarHBondContact O-N 2.78Å; L1220-I1222 VanDerWaalsContact C-N 3.32Å; L1220-I1222 HydrophobicContact CB-CG1 4.3Å |
| 1221 | G | 68.5 | Low | 55.2 | Low | 25 Ų | 25 | 80 Ų | 80 | 26% | 0.258 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 32.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1095 W1096 K1218 C1219 | C1095-G1221 CarbonylContact C-O 3.48Å; C1095-G1221 WeakPolarHBondContact CA-O 3.34Å; W1096-G1221 PolarHBondContact N-O 3.31Å; K1218-G1221 PolarHBondContact O-N 3.13Å; K1218-G1221 VanDerWaalsContact O-N 3.13Å; C1219-G1221 PolarHBondContact O-N 3.03Å |
| 1222 | I | 66.9 | Low | 53.8 | Low | 7 Ų | 7 | 84.8 Ų | 84.8 | 4% | 0.036 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.3 | 170.8 | -55.3 | -52.8 | 0 | 0 | 0 | 109.1 | W1096 L1098 L1101 V1188 L1217 L1220 H1224 | W1096-I1222 HydrophobicContact CB-CD1 3.94Å; W1096-I1222 WeakPolarHBondContact O-CA 3.36Å; L1098-I1222 HydrophobicContact CB-CG2 4.41Å; L1101-I1222 HydrophobicContact CD2-CD1 3.69Å; V1188-I1222 HydrophobicContact CB-CG1 4.42Å; V1188-I1222 HydrophobicContact CG1-CG1 4.16Å; V1188-I1222 HydrophobicContact CG2-CD1 3.67Å; V1188-I1222 HydrophobicContact CG2-CG1 3.35Å; L1217-I1222 WeakPolarHBondContact O-CB 3.27Å; L1217-I1222 PolarHBondContact O-N 2.83Å; L1217-I1222 VanDerWaalsContact O-N 3.11Å; L1220-I1222 VanDerWaalsContact C-N 3.32Å; L1220-I1222 HydrophobicContact CB-CG1 4.3Å; I1222-H1224 PolarHBondContact O-N 3.15Å |
| 1223 | D | 57.6 | Low | 51.8 | Low | 49 Ų | 49 | 85.5 Ų | 85.5 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.2 | 172.5 | -103.2 | -6.8 | 0 | 0 | 0 | 108.5 | C1095 W1096 | C1095-D1223 HydrophobicContact CB-CB 3.54Å; C1095-D1223 WeakPolarHBondContact CB-OD1 3.47Å; C1095-D1223 WeakPolarHBondContact CB-OD2 3.27Å; C1095-D1223 PolarHBondContact SG-OD1 3.01Å; C1095-D1223 VanDerWaalsContact SG-OD1 3.38Å; W1096-D1223 PolarHBondContact O-N 3.17Å |
| 1224 | H | 49.3 | Very low | 50 | Low | 61 Ų | 61 | 91.7 Ų | 91.7 | 28% | 0.282 | 51% | 0.512 | S | S | . | . | trans | -79.8 | 145.2 | 157.3 | -170.3 | -81.5 | 0 | 0 | 0 | 107.6 | I1222 T1226 | I1222-H1224 PolarHBondContact O-N 3.15Å; H1224-T1226 PolarHBondContact ND1-OG1 3.24Å; H1224-T1226 PolarHBondContact O-N 3.2Å | ||
| 1225 | P | 44.8 | Very low | 48.4 | Very low | 78 Ų | 78 | 93.6 Ų | 93.6 | 51% | 0.506 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 6 | -173.5 | 5 | -12.9 | 0 | 0 | 0 | 116.8 | A1227 | P1225-A1227 VanDerWaalsContact C-N 3.32Å; P1225-A1227 PolarHBondContact O-N 3.31Å |
| 1226 | T | 42.9 | Very low | 46.4 | Very low | 121 Ų | 121 | 95.1 Ų | 95.1 | 74% | 0.742 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.7 | 176.2 | 28.6 | 0 | 0 | 0 | 0 | 114.7 | H1224 | H1224-T1226 PolarHBondContact ND1-OG1 3.24Å; H1224-T1226 PolarHBondContact O-N 3.2Å |
| 1227 | A | 31.5 | Very low | 44.3 | Very low | 39 Ų | 39 | 92.3 Ų | 92.3 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | trans | -151.6 | 69.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1225 N1229 | P1225-A1227 VanDerWaalsContact C-N 3.32Å; P1225-A1227 PolarHBondContact O-N 3.31Å; A1227-N1229 PolarHBondContact O-N 2.64Å | ||
| 1228 | V | 31.3 | Very low | 42.6 | Very low | 141 Ų | 141 | 96.9 Ų | 96.9 | 86% | 0.855 | 56% | 0.562 | S | S | * | * | trans | -76.7 | 103.9 | 164.6 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | G1230 | V1228-G1230 PolarHBondContact O-N 2.65Š| ||
| 1229 | N | 29.9 | Very low | 41.1 | Very low | 137 Ų | 137 | 97.5 Ų | 97.5 | 73% | 0.733 | 57% | 0.567 | S | S | * | * | trans | -62.2 | 118.8 | 176.8 | -79 | -46.5 | 0 | 0 | 0 | 113.8 | A1227 | A1227-N1229 PolarHBondContact O-N 2.64Š| ||
| 1230 | G | 29.5 | Very low | 39.1 | Very low | 76 Ų | 76 | 95.4 Ų | 95.4 | 78% | 0.784 | 55% | 0.549 | S | S | * | . | S | Bend | 108.1 | -2.7 | 122 | 0 | 0 | 0 | 0 | 0 | 122.7 | V1228 | V1228-G1230 PolarHBondContact O-N 2.65Š| |
| 1231 | Q | 28.9 | Very low | 37.3 | Very low | 193 Ų | 193 | 97.4 Ų | 97.4 | 90% | 0.902 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -137.8 | 8.8 | -179 | -78.7 | -167.6 | -10.6 | 0 | 0 | 117.7 | ||
| 1232 | I | 27.9 | Very low | 35.7 | Very low | 137 Ų | 137 | 99.4 Ų | 99.4 | 70% | 0.703 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -115.6 | 116.2 | 168.4 | -56.1 | 177.8 | 0 | 0 | 0 | 108.1 | L1234 | I1232-L1234 PolarHBondContact O-N 2.82Š|
| 1233 | P | 25.9 | Very low | 34.3 | Very low | 102 Ų | 102 | 102.5 Ų | 102.5 | 66% | 0.662 | 60% | 0.601 | S | S | * | * | trans | -65.4 | 104.5 | 172.3 | -7.6 | 22.4 | 0 | 0 | 0 | 108.5 | T1235 | P1233-T1235 VanDerWaalsContact CB-OG1 3.31Å; P1233-T1235 WeakPolarHBondContact CB-OG1 3.46Å; P1233-T1235 PolarHBondContact O-N 3.08Å | ||
| 1234 | L | 27.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 106.6 Ų | 106.6 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | trans | -70.6 | 37.4 | 168.8 | -90.3 | 156.7 | 0 | 0 | 0 | 111.7 | I1232 | I1232-L1234 PolarHBondContact O-N 2.82Š| ||
| 1235 | T | 28.5 | Very low | 32.7 | Very low | 106 Ų | 106 | 106.6 Ų | 106.6 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -108.4 | 8 | -168.7 | 45.9 | 0 | 0 | 0 | 0 | 115.4 | P1233 | P1233-T1235 VanDerWaalsContact CB-OG1 3.31Å; P1233-T1235 WeakPolarHBondContact CB-OG1 3.46Å; P1233-T1235 PolarHBondContact O-N 3.08Å | ||
| 1236 | N | 29.2 | Very low | 32.3 | Very low | 152 Ų | 152 | 110 Ų | 110 | 81% | 0.813 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -150.9 | 21.2 | -177 | -94.6 | -21.7 | 0 | 0 | 0 | 118.7 | ||
| 1237 | E | 29.4 | Very low | 31.9 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 40% | 0.397 | 63% | 0.632 | S | S | . | * | trans | -115.6 | 105 | 166.7 | -84.8 | -150.1 | 151.1 | 0 | 0 | 113 | Q1239 | E1237-Q1239 PolarHBondContact O-N 2.98Š| ||
| 1238 | P | 33.6 | Very low | 32.2 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -13.2 | 178.9 | -18.6 | 30.7 | 0 | 0 | 0 | 114.7 | A1242 | P1238-A1242 WeakPolarHBondContact O-CB 3.32Å; P1238-A1242 PolarHBondContact O-N 3.03Å |
| 1239 | Q | 34.5 | Very low | 32.4 | Very low | 162 Ų | 162 | 119 Ų | 119 | 76% | 0.757 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -35.3 | -171 | -65.4 | -177.2 | 2.5 | 0 | 0 | 112.6 | E1237 A1242 A1243 | E1237-Q1239 PolarHBondContact O-N 2.98Å; Q1239-A1242 PolarHBondContact O-N 3.42Å; Q1239-A1243 PolarHBondContact O-N 2.79Å |
| 1240 | L | 32.1 | Very low | 32.7 | Very low | 49 Ų | 49 | 116.1 Ų | 116.1 | 26% | 0.257 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -80.9 | -36.1 | 177.7 | -165.9 | 58.2 | 0 | 0 | 0 | 112.4 | A1242 A1243 L1244 E1297 | L1240-A1242 PolarHBondContact O-N 2.8Å; L1240-A1243 PolarHBondContact O-N 3.09Å; L1240-L1244 HydrophobicContact CD1-CD1 4.12Å; L1240-L1244 HydrophobicContact CG-CD1 4.35Å; L1240-L1244 PolarHBondContact O-N 3.34Å; L1240-E1297 WeakPolarHBondContact CD1-OE1 3.39Å |
| 1241 | N | 34.8 | Very low | 33.1 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 46% | 0.46 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.2 | -15.1 | 168.2 | -78.7 | -30.7 | 0 | 0 | 0 | 113.2 | D1245 | N1241-D1245 WeakPolarHBondContact O-CA 3.27Å; N1241-D1245 WeakPolarHBondContact O-CB 3.31Å; N1241-D1245 PolarHBondContact O-N 3.47Å |
| 1242 | A | 35.1 | Very low | 33.5 | Very low | 68 Ų | 68 | 112.1 Ų | 112.1 | 56% | 0.562 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -90.1 | -25.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1238 Q1239 L1240 | P1238-A1242 WeakPolarHBondContact O-CB 3.32Å; P1238-A1242 PolarHBondContact O-N 3.03Å; Q1239-A1242 PolarHBondContact O-N 3.42Å; L1240-A1242 PolarHBondContact O-N 2.8Å |
| 1243 | A | 36.5 | Very low | 33.9 | Very low | 71 Ų | 71 | 109 Ų | 109 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.7 | -22.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1239 L1240 | Q1239-A1243 PolarHBondContact O-N 2.79Å; L1240-A1243 PolarHBondContact O-N 3.09Å |
| 1244 | L | 36.9 | Very low | 34.3 | Very low | 136 Ų | 136 | 110.4 Ų | 110.4 | 71% | 0.712 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -119.9 | 10 | -176.7 | -64.6 | 166.2 | 0 | 0 | 0 | 113 | L1240 E1246 | L1240-L1244 HydrophobicContact CD1-CD1 4.12Å; L1240-L1244 HydrophobicContact CG-CD1 4.35Å; L1240-L1244 PolarHBondContact O-N 3.34Å; L1244-E1246 PolarHBondContact O-N 3.28Å |
| 1245 | D | 36.8 | Very low | 34.7 | Very low | 60 Ų | 60 | 109.3 Ų | 109.3 | 32% | 0.321 | 58% | 0.584 | S | S | . | * | trans | -59.7 | 130.6 | -177 | -156 | 3 | 0 | 0 | 0 | 111.1 | N1241 R1247 H1248 | N1241-D1245 WeakPolarHBondContact O-CA 3.27Å; N1241-D1245 WeakPolarHBondContact O-CB 3.31Å; N1241-D1245 PolarHBondContact O-N 3.47Å; D1245-R1247 PolarHBondContact O-N 3.38Å; D1245-R1247 IonicContact OD2-CZ 3.57Å; D1245-R1247 IonicContact OD2-NE 3.3Å; D1245-R1247 PolarHBondContact OD2-NE 3.2Å; D1245-R1247 IonicContact OD2-NH2 2.95Å; D1245-R1247 PolarHBondContact OD2-NH2 2.92Å; D1245-H1248 PolarHBondContact O-N 2.92Å; D1245-H1248 VanDerWaalsContact O-N 3.16Å | ||
| 1246 | E | 36.4 | Very low | 34.8 | Very low | 149 Ų | 149 | 113.3 Ų | 113.3 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -0.1 | 179 | -79.5 | -177.7 | 137.9 | 0 | 0 | 114.4 | L1244 N1250 | L1244-E1246 PolarHBondContact O-N 3.28Å; E1246-N1250 WeakPolarHBondContact O-CB 3.45Å; E1246-N1250 PolarHBondContact O-ND2 3.01Å |
| 1247 | R | 35 | Very low | 34.9 | Very low | 188 Ų | 188 | 111.4 Ų | 111.4 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -24 | 178.5 | -75.1 | 179.3 | -78 | -170.5 | -4.4 | 114.6 | D1245 S1251 | D1245-R1247 PolarHBondContact O-N 3.38Å; D1245-R1247 IonicContact OD2-CZ 3.57Å; D1245-R1247 IonicContact OD2-NE 3.3Å; D1245-R1247 PolarHBondContact OD2-NE 3.2Å; D1245-R1247 IonicContact OD2-NH2 2.95Å; D1245-R1247 PolarHBondContact OD2-NH2 2.92Å; R1247-S1251 WeakPolarHBondContact O-CB 3.25Å; R1247-S1251 PolarHBondContact O-N 3.49Å; R1247-S1251 VanDerWaalsContact O-N 3.13Å |
| 1248 | H | 36 | Very low | 35.1 | Very low | 149 Ų | 149 | 111.1 Ų | 111.1 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -90.1 | -36.1 | 175.2 | -97.8 | 104.8 | 0 | 0 | 0 | 112.6 | D1245 S1251 I1252 | D1245-H1248 PolarHBondContact O-N 2.92Å; D1245-H1248 VanDerWaalsContact O-N 3.16Å; H1248-S1251 PolarHBondContact O-N 3.03Å; H1248-I1252 WeakPolarHBondContact O-CG1 3.13Å; H1248-I1252 PolarHBondContact O-N 2.96Å |
| 1249 | F | 37 | Very low | 35.4 | Very low | 154 Ų | 154 | 111.6 Ų | 111.6 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.1 | -39 | 173.5 | -153.1 | -96.3 | 0 | 0 | 0 | 111 | I1252 V1253 | F1249-I1252 PolarHBondContact O-N 3.09Å; F1249-V1253 WeakPolarHBondContact O-CG2 3.34Å; F1249-V1253 PolarHBondContact O-N 2.74Å |
| 1250 | N | 35.4 | Very low | 36 | Very low | 76 Ų | 76 | 106.3 Ų | 106.3 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.6 | -23.3 | 172.1 | -67.1 | -35.9 | 0 | 0 | 0 | 113.3 | E1246 V1253 D1254 | E1246-N1250 WeakPolarHBondContact O-CB 3.45Å; E1246-N1250 PolarHBondContact O-ND2 3.01Å; N1250-V1253 PolarHBondContact O-N 2.93Å; N1250-D1254 WeakPolarHBondContact O-CB 3.24Å; N1250-D1254 PolarHBondContact O-N 3.15Å |
| 1251 | S | 37.7 | Very low | 36.5 | Very low | 65 Ų | 65 | 109 Ų | 109 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.1 | -24.1 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 113.8 | R1247 H1248 V1253 | R1247-S1251 WeakPolarHBondContact O-CB 3.25Å; R1247-S1251 PolarHBondContact O-N 3.49Å; R1247-S1251 VanDerWaalsContact O-N 3.13Å; H1248-S1251 PolarHBondContact O-N 3.03Å; S1251-V1253 VanDerWaalsContact C-N 3.31Å |
| 1252 | I | 36.9 | Very low | 37 | Very low | 121 Ų | 121 | 111.1 Ų | 111.1 | 62% | 0.621 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.7 | -23 | 170.8 | -66.5 | 165.8 | 0 | 0 | 0 | 110.4 | H1248 F1249 | H1248-I1252 WeakPolarHBondContact O-CG1 3.13Å; H1248-I1252 PolarHBondContact O-N 2.96Å; F1249-I1252 PolarHBondContact O-N 3.09Å |
| 1253 | V | 37.8 | Very low | 37.6 | Very low | 72 Ų | 72 | 111 Ų | 111 | 44% | 0.436 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -88.8 | -23.8 | -178.8 | 172.7 | 0 | 0 | 0 | 0 | 112.6 | F1249 N1250 S1251 | F1249-V1253 WeakPolarHBondContact O-CG2 3.34Å; F1249-V1253 PolarHBondContact O-N 2.74Å; N1250-V1253 PolarHBondContact O-N 2.93Å; S1251-V1253 VanDerWaalsContact C-N 3.31Å |
| 1254 | D | 34.5 | Very low | 38.1 | Very low | 131 Ų | 131 | 112.1 Ų | 112.1 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -99.5 | 9.1 | -173.3 | -85.3 | -23.5 | 0 | 0 | 0 | 116.6 | N1250 | N1250-D1254 WeakPolarHBondContact O-CB 3.24Å; N1250-D1254 PolarHBondContact O-N 3.15Å |
| 1255 | T | 34.8 | Very low | 38.8 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -121.7 | 106.1 | 175.2 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | S1257 | T1255-S1257 PolarHBondContact O-N 3.16Š|
| 1256 | H | 30.8 | Very low | 39.6 | Very low | 191 Ų | 191 | 110.7 Ų | 110.7 | 88% | 0.884 | 59% | 0.594 | S | S | * | * | trans | -45.6 | 102.5 | 167.5 | -70 | -76.5 | 0 | 0 | 0 | 112.8 | ||||
| 1257 | S | 31.2 | Very low | 40.2 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 78% | 0.783 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 163.8 | 126.2 | 135.4 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | T1255 | T1255-S1257 PolarHBondContact O-N 3.16Š|
| 1258 | A | 33.6 | Very low | 41 | Very low | 79 Ų | 79 | 103.3 Ų | 103.3 | 65% | 0.653 | 57% | 0.569 | S | S | * | * | trans | 39.9 | 99.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | T1260 | A1258-T1260 VanDerWaalsContact C-N 3.27Å; A1258-T1260 PolarHBondContact O-N 3.43Å | ||
| 1259 | T | 40.3 | Very low | 42 | Very low | 117 Ų | 117 | 100 Ų | 100 | 72% | 0.718 | 56% | 0.559 | S | S | * | * | trans | -56.4 | 91.7 | 157.7 | 37 | 0 | 0 | 0 | 0 | 109.5 | D1263 | T1259-D1263 WeakPolarHBondContact CA-OD2 3.29Š| ||
| 1260 | T | 45.6 | Very low | 42.9 | Very low | 50 Ų | 50 | 98.1 Ų | 98.1 | 31% | 0.307 | 56% | 0.555 | S | S | . | * | trans | -68.9 | 153.3 | 178 | 53 | 0 | 0 | 0 | 0 | 109.3 | A1258 E1262 D1263 I1264 | A1258-T1260 VanDerWaalsContact C-N 3.27Å; A1258-T1260 PolarHBondContact O-N 3.43Å; T1260-E1262 PolarHBondContact O-N 3.04Å; T1260-E1262 VanDerWaalsContact O-N 3.1Å; T1260-E1262 VanDerWaalsContact OG1-CB 3.28Å; T1260-E1262 WeakPolarHBondContact OG1-CB 3.37Å; T1260-D1263 PolarHBondContact N-OD2 2.87Å; T1260-D1263 PolarHBondContact O-N 3.13Å; T1260-D1263 PolarHBondContact OG1-N 3.28Å; T1260-D1263 VanDerWaalsContact OG1-N 3.15Å; T1260-D1263 PolarHBondContact OG1-OD1 2.55Å; T1260-D1263 PolarHBondContact OG1-OD2 3.3Å; T1260-I1264 PolarHBondContact O-N 3.48Å | ||
| 1261 | P | 44.2 | Very low | 43.8 | Very low | 105 Ų | 105 | 97.1 Ų | 97.1 | 68% | 0.682 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -48.8 | -28.9 | 161.7 | -25.7 | 34.8 | 0 | 0 | 0 | 112.1 | A1265 | P1261-A1265 WeakPolarHBondContact O-CB 3.44Å; P1261-A1265 PolarHBondContact O-N 2.89Å |
| 1262 | E | 45.6 | Very low | 44.8 | Very low | 131 Ų | 131 | 97.3 Ų | 97.3 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 168.8 | -91.7 | 80.7 | -165.8 | 0 | 0 | 114.2 | T1260 A1265 Q1266 | T1260-E1262 PolarHBondContact O-N 3.04Å; T1260-E1262 VanDerWaalsContact O-N 3.1Å; T1260-E1262 VanDerWaalsContact OG1-CB 3.28Å; T1260-E1262 WeakPolarHBondContact OG1-CB 3.37Å; E1262-A1265 CarbonylContact O-C 3.59Å; E1262-A1265 WeakPolarHBondContact O-CB 3.37Å; E1262-A1265 PolarHBondContact O-N 3.31Å; E1262-Q1266 WeakPolarHBondContact O-CB 3.45Å; E1262-Q1266 WeakPolarHBondContact O-CG 3.28Å; E1262-Q1266 PolarHBondContact O-N 3.43Å |
| 1263 | D | 46.4 | Very low | 46 | Very low | 65 Ų | 65 | 96.8 Ų | 96.8 | 35% | 0.348 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73.5 | -39.9 | -178.6 | -59.1 | -45 | 0 | 0 | 0 | 111.7 | T1259 T1260 A1265 Q1266 L1267 | T1259-D1263 WeakPolarHBondContact CA-OD2 3.29Å; T1260-D1263 PolarHBondContact N-OD2 2.87Å; T1260-D1263 PolarHBondContact O-N 3.13Å; T1260-D1263 PolarHBondContact OG1-N 3.28Å; T1260-D1263 VanDerWaalsContact OG1-N 3.15Å; T1260-D1263 PolarHBondContact OG1-OD1 2.55Å; T1260-D1263 PolarHBondContact OG1-OD2 3.3Å; D1263-A1265 VanDerWaalsContact C-N 3.31Å; D1263-Q1266 PolarHBondContact O-N 3.5Å; D1263-L1267 PolarHBondContact O-N 2.64Å |
| 1264 | I | 47.2 | Very low | 47.1 | Very low | 95 Ų | 95 | 97.4 Ų | 97.4 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 170.9 | -68.1 | 164.2 | 0 | 0 | 0 | 110.2 | T1260 K1268 | T1260-I1264 PolarHBondContact O-N 3.48Å; I1264-K1268 HydrophobicContact CG2-CD 4.31Å; I1264-K1268 WeakPolarHBondContact O-CB 3.36Å; I1264-K1268 VanDerWaalsContact O-CG 3.29Å; I1264-K1268 WeakPolarHBondContact O-CG 3.33Å; I1264-K1268 PolarHBondContact O-N 3.25Å |
| 1265 | A | 52.1 | Low | 48.3 | Very low | 46 Ų | 46 | 91.1 Ų | 91.1 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1261 E1262 D1263 K1268 T1269 | P1261-A1265 WeakPolarHBondContact O-CB 3.44Å; P1261-A1265 PolarHBondContact O-N 2.89Å; E1262-A1265 CarbonylContact O-C 3.59Å; E1262-A1265 WeakPolarHBondContact O-CB 3.37Å; E1262-A1265 PolarHBondContact O-N 3.31Å; D1263-A1265 VanDerWaalsContact C-N 3.31Å; A1265-K1268 PolarHBondContact O-N 2.92Å; A1265-T1269 VanDerWaalsContact O-CB 3.25Å; A1265-T1269 WeakPolarHBondContact O-CB 3.48Å; A1265-T1269 PolarHBondContact O-N 2.95Å; A1265-T1269 PolarHBondContact O-OG1 2.94Å |
| 1266 | Q | 52.5 | Low | 49.6 | Very low | 120 Ų | 120 | 88.1 Ų | 88.1 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.6 | -44.6 | 174.1 | -87.5 | -175.8 | -0.7 | 0 | 0 | 111.1 | E1262 D1263 K1268 T1269 L1270 | E1262-Q1266 WeakPolarHBondContact O-CB 3.45Å; E1262-Q1266 WeakPolarHBondContact O-CG 3.28Å; E1262-Q1266 PolarHBondContact O-N 3.43Å; D1263-Q1266 PolarHBondContact O-N 3.5Å; Q1266-K1268 PolarHBondContact O-N 3Å; Q1266-T1269 CarbonylContact O-C 3.58Å; Q1266-T1269 PolarHBondContact O-N 3.32Å; Q1266-T1269 VanDerWaalsContact O-N 3.11Å; Q1266-L1270 WeakPolarHBondContact O-CB 3.28Å; Q1266-L1270 VanDerWaalsContact O-CG 3.32Å; Q1266-L1270 WeakPolarHBondContact O-CG 3.49Å; Q1266-L1270 PolarHBondContact O-N 3.4Å |
| 1267 | L | 49.3 | Very low | 51 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.1 | -147.9 | 112 | 0 | 0 | 0 | 111.5 | D1263 T1269 L1270 L1271 | D1263-L1267 PolarHBondContact O-N 2.64Å; L1267-T1269 VanDerWaalsContact C-N 3.31Å; L1267-T1269 PolarHBondContact O-N 2.98Å; L1267-L1270 PolarHBondContact O-N 3.39Å; L1267-L1271 HydrophobicContact CD2-CD1 4.21Å; L1267-L1271 WeakPolarHBondContact O-CB 3.5Å; L1267-L1271 PolarHBondContact O-N 3.32Å |
| 1268 | K | 52.3 | Low | 52.4 | Low | 87 Ų | 87 | 77 Ų | 77 | 38% | 0.378 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 171 | -77.1 | 177.4 | 179.1 | -180 | 0 | 112.4 | I1264 A1265 Q1266 K1272 | I1264-K1268 HydrophobicContact CG2-CD 4.31Å; I1264-K1268 WeakPolarHBondContact O-CB 3.36Å; I1264-K1268 VanDerWaalsContact O-CG 3.29Å; I1264-K1268 WeakPolarHBondContact O-CG 3.33Å; I1264-K1268 PolarHBondContact O-N 3.25Å; A1265-K1268 PolarHBondContact O-N 2.92Å; Q1266-K1268 PolarHBondContact O-N 3Å; K1268-K1272 WeakPolarHBondContact O-CB 3.34Å; K1268-K1272 PolarHBondContact O-N 3.15Å |
| 1269 | T | 57.2 | Low | 53.6 | Low | 78 Ų | 78 | 75.3 Ų | 75.3 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.2 | -39.7 | 178 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | A1265 Q1266 L1267 K1272 Q1273 | A1265-T1269 VanDerWaalsContact O-CB 3.25Å; A1265-T1269 WeakPolarHBondContact O-CB 3.48Å; A1265-T1269 PolarHBondContact O-N 2.95Å; A1265-T1269 PolarHBondContact O-OG1 2.94Å; Q1266-T1269 CarbonylContact O-C 3.58Å; Q1266-T1269 PolarHBondContact O-N 3.32Å; Q1266-T1269 VanDerWaalsContact O-N 3.11Å; L1267-T1269 VanDerWaalsContact C-N 3.31Å; L1267-T1269 PolarHBondContact O-N 2.98Å; T1269-K1272 PolarHBondContact O-N 3.02Å; T1269-Q1273 WeakPolarHBondContact O-CB 3.24Å; T1269-Q1273 PolarHBondContact O-N 3.31Å |
| 1270 | L | 55.4 | Low | 54.5 | Low | 116 Ų | 116 | 73.2 Ų | 73.2 | 61% | 0.607 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.8 | -46.3 | 175.6 | -76 | 164.6 | 0 | 0 | 0 | 111.7 | Q1266 L1267 K1272 Q1273 H1274 | Q1266-L1270 WeakPolarHBondContact O-CB 3.28Å; Q1266-L1270 VanDerWaalsContact O-CG 3.32Å; Q1266-L1270 WeakPolarHBondContact O-CG 3.49Å; Q1266-L1270 PolarHBondContact O-N 3.4Å; L1267-L1270 PolarHBondContact O-N 3.39Å; L1270-K1272 VanDerWaalsContact C-N 3.33Å; L1270-K1272 PolarHBondContact O-N 2.82Å; L1270-Q1273 PolarHBondContact O-N 3.2Å; L1270-H1274 VanDerWaalsContact O-CB 3.29Å; L1270-H1274 WeakPolarHBondContact O-CB 3.38Å; L1270-H1274 PolarHBondContact O-N 3.04Å |
| 1271 | L | 54.3 | Low | 54.9 | Low | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 174 | -109.3 | 133.2 | 0 | 0 | 0 | 111.5 | L1267 H1274 V1275 | L1267-L1271 HydrophobicContact CD2-CD1 4.21Å; L1267-L1271 WeakPolarHBondContact O-CB 3.5Å; L1267-L1271 PolarHBondContact O-N 3.32Å; L1271-H1274 PolarHBondContact O-N 2.92Å; L1271-V1275 WeakPolarHBondContact O-CB 3.2Å; L1271-V1275 VanDerWaalsContact O-CG2 3.26Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.17Å; L1271-V1275 PolarHBondContact O-N 3.1Å |
| 1272 | K | 59.4 | Low | 55.3 | Low | 69 Ų | 69 | 72 Ų | 72 | 30% | 0.3 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.5 | -178 | -177.3 | 164.9 | -150 | 0 | 111.8 | K1268 T1269 L1270 H1274 V1275 D1276 L1334 | K1268-K1272 WeakPolarHBondContact O-CB 3.34Å; K1268-K1272 PolarHBondContact O-N 3.15Å; T1269-K1272 PolarHBondContact O-N 3.02Å; L1270-K1272 VanDerWaalsContact C-N 3.33Å; L1270-K1272 PolarHBondContact O-N 2.82Å; K1272-H1274 VanDerWaalsContact C-N 3.32Å; K1272-V1275 PolarHBondContact O-N 3.18Å; K1272-D1276 WeakPolarHBondContact O-CB 3.49Å; K1272-D1276 PolarHBondContact O-N 2.83Å; K1272-L1334 HydrophobicContact CB-CD1 4.23Å |
| 1273 | Q | 61.9 | Low | 55.4 | Low | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 175.7 | -169.3 | 103 | 20.5 | 0 | 0 | 110.1 | T1269 L1270 D1276 D1277 | T1269-Q1273 WeakPolarHBondContact O-CB 3.24Å; T1269-Q1273 PolarHBondContact O-N 3.31Å; L1270-Q1273 PolarHBondContact O-N 3.2Å; Q1273-D1276 CarbonylContact O-C 3.53Å; Q1273-D1276 PolarHBondContact O-N 3.03Å; Q1273-D1277 VanDerWaalsContact O-CB 3.26Å; Q1273-D1277 WeakPolarHBondContact O-CB 3.38Å; Q1273-D1277 PolarHBondContact O-N 2.88Å |
| 1274 | H | 60.2 | Low | 55.3 | Low | 85 Ų | 85 | 75.8 Ų | 75.8 | 39% | 0.394 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.8 | -38.5 | -178.9 | -155.9 | 60.5 | 0 | 0 | 0 | 112.5 | L1270 L1271 K1272 D1277 M1278 | L1270-H1274 VanDerWaalsContact O-CB 3.29Å; L1270-H1274 WeakPolarHBondContact O-CB 3.38Å; L1270-H1274 PolarHBondContact O-N 3.04Å; L1271-H1274 PolarHBondContact O-N 2.92Å; K1272-H1274 VanDerWaalsContact C-N 3.32Å; H1274-D1277 PolarHBondContact O-N 3.46Å; H1274-M1278 WeakPolarHBondContact O-CB 3.2Å; H1274-M1278 VanDerWaalsContact O-CG 3.25Å; H1274-M1278 WeakPolarHBondContact O-CG 3.46Å; H1274-M1278 PolarHBondContact O-N 2.91Å |
| 1275 | V | 60.1 | Low | 54.8 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 170.9 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | L1271 K1272 D1277 M1278 I1279 Q1337 | L1271-V1275 WeakPolarHBondContact O-CB 3.2Å; L1271-V1275 VanDerWaalsContact O-CG2 3.26Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.17Å; L1271-V1275 PolarHBondContact O-N 3.1Å; K1272-V1275 PolarHBondContact O-N 3.18Å; V1275-D1277 VanDerWaalsContact C-N 3.35Å; V1275-M1278 PolarHBondContact O-N 2.78Å; V1275-I1279 HydrophobicContact CG1-CD1 3.81Å; V1275-I1279 HydrophobicContact CG1-CG1 4.45Å; V1275-I1279 WeakPolarHBondContact O-CB 3.45Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.44Å; V1275-I1279 PolarHBondContact O-N 3.25Å; V1275-Q1337 HydrophobicContact CG1-CB 3.79Å |
| 1276 | D | 61.3 | Low | 53.9 | Low | 44 Ų | 44 | 84.6 Ų | 84.6 | 24% | 0.235 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63 | -41 | 174.4 | -75.9 | -20.5 | 0 | 0 | 0 | 110.9 | K1272 Q1273 I1279 N1280 Q1337 | K1272-D1276 WeakPolarHBondContact O-CB 3.49Å; K1272-D1276 PolarHBondContact O-N 2.83Å; Q1273-D1276 CarbonylContact O-C 3.53Å; Q1273-D1276 PolarHBondContact O-N 3.03Å; D1276-I1279 PolarHBondContact O-N 2.78Å; D1276-N1280 VanDerWaalsContact O-CB 3.28Å; D1276-N1280 WeakPolarHBondContact O-CB 3.33Å; D1276-N1280 PolarHBondContact O-N 3.16Å; D1276-N1280 PolarHBondContact O-ND2 2.94Å; D1276-Q1337 VanDerWaalsContact OD1-CD 3.3Å; D1276-Q1337 PolarHBondContact OD1-NE2 2.88Å |
| 1277 | D | 62 | Low | 52.9 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 177.2 | -72.2 | -22.1 | 0 | 0 | 0 | 110.9 | Q1273 H1274 V1275 N1280 L1281 | Q1273-D1277 VanDerWaalsContact O-CB 3.26Å; Q1273-D1277 WeakPolarHBondContact O-CB 3.38Å; Q1273-D1277 PolarHBondContact O-N 2.88Å; H1274-D1277 PolarHBondContact O-N 3.46Å; V1275-D1277 VanDerWaalsContact C-N 3.35Å; D1277-N1280 CarbonylContact O-C 3.6Å; D1277-N1280 PolarHBondContact O-N 3.39Å; D1277-L1281 HydrophobicContact CB-CD1 4.47Å; D1277-L1281 WeakPolarHBondContact O-CB 3.39Å; D1277-L1281 WeakPolarHBondContact O-CD1 3.33Å; D1277-L1281 VanDerWaalsContact O-CG 3.28Å; D1277-L1281 WeakPolarHBondContact O-CG 3.4Å; D1277-L1281 PolarHBondContact O-N 2.86Å |
| 1278 | M | 59.8 | Low | 52.3 | Low | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.02 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 174.4 | -78.9 | -65.3 | -61.4 | 0 | 0 | 112.1 | H1274 V1275 N1280 L1281 C1282 Y1294 E1297 A1298 L1301 | H1274-M1278 WeakPolarHBondContact O-CB 3.2Å; H1274-M1278 VanDerWaalsContact O-CG 3.25Å; H1274-M1278 WeakPolarHBondContact O-CG 3.46Å; H1274-M1278 PolarHBondContact O-N 2.91Å; V1275-M1278 PolarHBondContact O-N 2.78Å; M1278-N1280 VanDerWaalsContact C-N 3.33Å; M1278-N1280 PolarHBondContact O-N 3.44Å; M1278-L1281 PolarHBondContact O-N 2.86Å; M1278-C1282 WeakPolarHBondContact O-CB 3.42Å; M1278-C1282 PolarHBondContact O-N 2.93Å; M1278-C1282 PolarHBondContact O-SG 3.08Å; M1278-Y1294 HydrophobicContact CE-CD1 3.73Å; M1278-Y1294 HydrophobicContact CE-CG 4.46Å; M1278-Y1294 WeakPolarHBondContact CE-O 3.38Å; M1278-Y1294 HydrophobicContact SD-CD1 3.73Å; M1278-Y1294 HydrophobicContact SD-CE1 4.14Å; M1278-E1297 HydrophobicContact CE-CB 4.24Å; M1278-A1298 HydrophobicContact CE-CB 4.3Å; M1278-L1301 HydrophobicContact CG-CD1 4Å |
| 1279 | I | 58.4 | Low | 51.6 | Low | 42 Ų | 42 | 83.4 Ų | 83.4 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 173.5 | -70.7 | 168.4 | 0 | 0 | 0 | 110.3 | V1275 D1276 S1283 L1341 | V1275-I1279 HydrophobicContact CG1-CD1 3.81Å; V1275-I1279 HydrophobicContact CG1-CG1 4.45Å; V1275-I1279 WeakPolarHBondContact O-CB 3.45Å; V1275-I1279 WeakPolarHBondContact O-CG1 3.44Å; V1275-I1279 PolarHBondContact O-N 3.25Å; D1276-I1279 PolarHBondContact O-N 2.78Å; I1279-S1283 VanDerWaalsContact O-CB 3.31Å; I1279-S1283 WeakPolarHBondContact O-CB 3.49Å; I1279-S1283 PolarHBondContact O-N 2.89Å; I1279-S1283 PolarHBondContact O-OG 3.49Å; I1279-L1341 HydrophobicContact CG1-CD1 4.49Å |
| 1280 | N | 58.8 | Low | 50.9 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.4 | -34.2 | 178 | -76 | -41.5 | 0 | 0 | 0 | 113.5 | D1276 D1277 M1278 S1283 R1284 | D1276-N1280 VanDerWaalsContact O-CB 3.28Å; D1276-N1280 WeakPolarHBondContact O-CB 3.33Å; D1276-N1280 PolarHBondContact O-N 3.16Å; D1276-N1280 PolarHBondContact O-ND2 2.94Å; D1277-N1280 CarbonylContact O-C 3.6Å; D1277-N1280 PolarHBondContact O-N 3.39Å; M1278-N1280 VanDerWaalsContact C-N 3.33Å; M1278-N1280 PolarHBondContact O-N 3.44Å; N1280-S1283 CarbonylContact O-C 3.5Å; N1280-S1283 PolarHBondContact O-N 3.16Å; N1280-S1283 VanDerWaalsContact O-N 3.11Å; N1280-R1284 WeakPolarHBondContact O-CG 3.5Å; N1280-R1284 PolarHBondContact O-N 2.95Å |
| 1281 | L | 55.7 | Low | 50.3 | Low | 87 Ų | 87 | 83.5 Ų | 83.5 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.5 | -39 | 176.1 | -83.7 | 155 | 0 | 0 | 0 | 110.6 | D1277 M1278 S1283 Y1294 | D1277-L1281 HydrophobicContact CB-CD1 4.47Å; D1277-L1281 WeakPolarHBondContact O-CB 3.39Å; D1277-L1281 WeakPolarHBondContact O-CD1 3.33Å; D1277-L1281 VanDerWaalsContact O-CG 3.28Å; D1277-L1281 WeakPolarHBondContact O-CG 3.4Å; D1277-L1281 PolarHBondContact O-N 2.86Å; M1278-L1281 PolarHBondContact O-N 2.86Å; L1281-S1283 PolarHBondContact O-N 2.94Å; L1281-Y1294 HydrophobicContact CB-CE1 4.36Å; L1281-Y1294 HydrophobicContact CD1-CE1 4.24Å |
| 1282 | C | 51.1 | Low | 49.5 | Very low | 44 Ų | 44 | 88.6 Ų | 88.6 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.7 | 168.7 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | M1278 | M1278-C1282 WeakPolarHBondContact O-CB 3.42Å; M1278-C1282 PolarHBondContact O-N 2.93Å; M1278-C1282 PolarHBondContact O-SG 3.08Å |
| 1283 | S | 48.3 | Very low | 49 | Very low | 82 Ų | 82 | 86.8 Ų | 86.8 | 57% | 0.573 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 2.9 | -174.2 | -56.1 | 0 | 0 | 0 | 0 | 115.1 | I1279 N1280 L1281 | I1279-S1283 VanDerWaalsContact O-CB 3.31Å; I1279-S1283 WeakPolarHBondContact O-CB 3.49Å; I1279-S1283 PolarHBondContact O-N 2.89Å; I1279-S1283 PolarHBondContact O-OG 3.49Å; N1280-S1283 CarbonylContact O-C 3.5Å; N1280-S1283 PolarHBondContact O-N 3.16Å; N1280-S1283 VanDerWaalsContact O-N 3.11Å; L1281-S1283 PolarHBondContact O-N 2.94Å |
| 1284 | R | 43.5 | Very low | 48.7 | Very low | 193 Ų | 193 | 85 Ų | 85 | 73% | 0.728 | 44% | 0.441 | S | S | * | . | trans | -122.2 | 121.7 | -175.2 | -77.9 | -176.7 | 179.2 | -179.6 | 2.5 | 113.9 | N1280 K1286 | N1280-R1284 WeakPolarHBondContact O-CG 3.5Å; N1280-R1284 PolarHBondContact O-N 2.95Å; R1284-K1286 PolarHBondContact O-N 2.75Å | ||
| 1285 | D | 38.4 | Very low | 48.2 | Very low | 134 Ų | 134 | 85 Ų | 85 | 72% | 0.717 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -53.1 | 26.7 | -178 | -94.9 | -25.4 | 0 | 0 | 0 | 119.1 | ||
| 1286 | K | 32.6 | Very low | 47.5 | Very low | 191 Ų | 191 | 89.4 Ų | 89.4 | 83% | 0.83 | 47% | 0.466 | S | S | * | . | trans | -150.8 | 95.7 | 177.6 | -68.5 | -174.6 | -179.6 | 179.3 | 0 | 111 | R1284 | R1284-K1286 PolarHBondContact O-N 2.75Š| ||
| 1287 | C | 30.7 | Very low | 47.1 | Very low | 94 Ų | 94 | 89 Ų | 89 | 64% | 0.635 | 46% | 0.462 | S | S | * | . | trans | -157.7 | 144.6 | 158.6 | -113.2 | 0 | 0 | 0 | 0 | 114.3 | T1291 | C1287-T1291 HydrophobicContact CB-CG2 3.72Š| ||
| 1288 | S | 37.7 | Very low | 46.6 | Very low | 53 Ų | 53 | 86 Ų | 86 | 37% | 0.371 | 45% | 0.447 | S | S | . | . | trans | -71.3 | 169.8 | -166.5 | 52.4 | 0 | 0 | 0 | 0 | 114 | E1290 T1291 | S1288-E1290 PolarHBondContact O-N 2.68Å; S1288-T1291 PolarHBondContact O-N 3.16Å; S1288-T1291 PolarHBondContact O-OG1 3.09Å | ||
| 1289 | P | 37.1 | Very low | 46.2 | Very low | 132 Ų | 132 | 89 Ų | 89 | 86% | 0.857 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 2.5 | 177.3 | -20.3 | 32.3 | 0 | 0 | 0 | 115.9 | ||
| 1290 | E | 42.2 | Very low | 45.9 | Very low | 141 Ų | 141 | 90.9 Ų | 90.9 | 66% | 0.659 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -10.3 | -176.3 | -68.4 | 161.8 | 162.8 | 0 | 0 | 112.2 | S1288 K1292 | S1288-E1290 PolarHBondContact O-N 2.68Å; E1290-K1292 PolarHBondContact O-N 3.35Å |
| 1291 | T | 42.2 | Very low | 45.7 | Very low | 55 Ų | 55 | 88.2 Ų | 88.2 | 34% | 0.337 | 46% | 0.457 | S | S | . | . | trans | -81.9 | 48.3 | -178.1 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | C1287 S1288 Y1294 | C1287-T1291 HydrophobicContact CB-CG2 3.72Å; S1288-T1291 PolarHBondContact O-N 3.16Å; S1288-T1291 PolarHBondContact O-OG1 3.09Å; T1291-Y1294 HydrophobicContact CG2-CD2 4.32Å; T1291-Y1294 HydrophobicContact CG2-CE2 3.41Å; T1291-Y1294 VanDerWaalsContact CG2-CE2 3.41Å; T1291-Y1294 WeakPolarHBondContact O-CD2 3.34Å | ||
| 1292 | K | 37.6 | Very low | 45.7 | Very low | 161 Ų | 161 | 84.5 Ų | 84.5 | 70% | 0.7 | 44% | 0.438 | S | S | * | . | trans | -77.6 | -10.4 | 175.7 | -112.8 | 170 | 179.1 | 170.3 | 0 | 117.6 | E1290 | E1290-K1292 PolarHBondContact O-N 3.35Š| ||
| 1293 | P | 50.6 | Low | 45.7 | Very low | 32 Ų | 32 | 87.1 Ų | 87.1 | 21% | 0.208 | 45% | 0.445 | C | S | . | . | trans | -98.4 | -2.2 | -177 | 7.2 | 11.9 | 0 | 0 | 0 | 118.2 | L1295 I1296 E1297 | P1293-L1295 PolarHBondContact O-N 2.79Å; P1293-I1296 PolarHBondContact O-N 3.4Å; P1293-E1297 PolarHBondContact O-N 3.2Å | ||
| 1294 | Y | 55.3 | Low | 45.8 | Very low | 70 Ų | 70 | 86.7 Ų | 86.7 | 28% | 0.275 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.8 | -28.8 | -165.1 | -69.2 | -88.1 | 0 | 0 | 0 | 116.1 | M1278 L1281 T1291 A1298 | M1278-Y1294 HydrophobicContact CE-CD1 3.73Å; M1278-Y1294 HydrophobicContact CE-CG 4.46Å; M1278-Y1294 WeakPolarHBondContact CE-O 3.38Å; M1278-Y1294 HydrophobicContact SD-CD1 3.73Å; M1278-Y1294 HydrophobicContact SD-CE1 4.14Å; L1281-Y1294 HydrophobicContact CB-CE1 4.36Å; L1281-Y1294 HydrophobicContact CD1-CE1 4.24Å; T1291-Y1294 HydrophobicContact CG2-CD2 4.32Å; T1291-Y1294 HydrophobicContact CG2-CE2 3.41Å; T1291-Y1294 VanDerWaalsContact CG2-CE2 3.41Å; T1291-Y1294 WeakPolarHBondContact O-CD2 3.34Å; Y1294-A1298 VanDerWaalsContact O-CB 3.23Å; Y1294-A1298 WeakPolarHBondContact O-CB 3.14Å; Y1294-A1298 PolarHBondContact O-N 2.85Å |
| 1295 | L | 48.5 | Very low | 46.2 | Very low | 85 Ų | 85 | 77.8 Ų | 77.8 | 45% | 0.445 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.2 | -35.7 | 176.3 | -97.6 | 152.3 | 0 | 0 | 0 | 112.1 | P1293 E1299 V1345 | P1293-L1295 PolarHBondContact O-N 2.79Å; L1295-E1299 WeakPolarHBondContact O-CB 3.39Å; L1295-E1299 VanDerWaalsContact O-CG 3.26Å; L1295-E1299 WeakPolarHBondContact O-CG 3.41Å; L1295-E1299 PolarHBondContact O-N 2.96Å; L1295-V1345 HydrophobicContact CD2-CG1 4.38Å |
| 1296 | I | 45.9 | Very low | 46.9 | Very low | 93 Ų | 93 | 76.7 Ų | 76.7 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.9 | -41.8 | 178.5 | -63.2 | 172.7 | 0 | 0 | 0 | 109.6 | P1293 E1299 I1300 | P1293-I1296 PolarHBondContact O-N 3.4Å; I1296-E1299 PolarHBondContact O-N 3.01Å; I1296-I1300 HydrophobicContact CG2-CD1 3.9Å; I1296-I1300 WeakPolarHBondContact O-CD1 3.31Å; I1296-I1300 WeakPolarHBondContact O-CG1 3.22Å; I1296-I1300 PolarHBondContact O-N 3.16Å |
| 1297 | E | 52.2 | Low | 47.6 | Very low | 35 Ų | 35 | 72.7 Ų | 72.7 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 172.4 | -83.1 | 174.7 | 163.9 | 0 | 0 | 112.7 | L1240 M1278 P1293 I1300 L1301 | L1240-E1297 WeakPolarHBondContact CD1-OE1 3.39Å; M1278-E1297 HydrophobicContact CE-CB 4.24Å; P1293-E1297 PolarHBondContact O-N 3.2Å; E1297-I1300 PolarHBondContact O-N 3.29Å; E1297-L1301 WeakPolarHBondContact O-CB 3.33Å; E1297-L1301 VanDerWaalsContact O-CG 3.27Å; E1297-L1301 WeakPolarHBondContact O-CG 3.34Å; E1297-L1301 PolarHBondContact O-N 2.86Å |
| 1298 | A | 52.5 | Low | 48.3 | Very low | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1278 Y1294 L1301 C1302 L1341 V1345 | M1278-A1298 HydrophobicContact CE-CB 4.3Å; Y1294-A1298 VanDerWaalsContact O-CB 3.23Å; Y1294-A1298 WeakPolarHBondContact O-CB 3.14Å; Y1294-A1298 PolarHBondContact O-N 2.85Å; A1298-L1301 PolarHBondContact O-N 3.03Å; A1298-C1302 WeakPolarHBondContact O-CB 3.47Å; A1298-C1302 PolarHBondContact O-N 3.37Å; A1298-C1302 PolarHBondContact O-SG 3.38Å; A1298-C1302 VanDerWaalsContact O-SG 3.33Å; A1298-L1341 HydrophobicContact CB-CD1 4Å; A1298-L1341 HydrophobicContact CB-CD2 4.36Å; A1298-L1341 HydrophobicContact CB-CG 4.24Å; A1298-V1345 HydrophobicContact CB-CG2 3.93Å |
| 1299 | E | 51.4 | Low | 48.6 | Very low | 69 Ų | 69 | 73.9 Ų | 73.9 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 173.2 | -78.7 | 177.1 | 165.4 | 0 | 0 | 112.1 | L1295 I1296 L1301 C1302 E1303 V1345 K1349 | L1295-E1299 WeakPolarHBondContact O-CB 3.39Å; L1295-E1299 VanDerWaalsContact O-CG 3.26Å; L1295-E1299 WeakPolarHBondContact O-CG 3.41Å; L1295-E1299 PolarHBondContact O-N 2.96Å; I1296-E1299 PolarHBondContact O-N 3.01Å; E1299-L1301 PolarHBondContact O-N 3.02Å; E1299-C1302 PolarHBondContact O-N 2.79Å; E1299-E1303 WeakPolarHBondContact O-CB 3.25Å; E1299-E1303 WeakPolarHBondContact O-CG 3.32Å; E1299-E1303 PolarHBondContact O-N 2.82Å; E1299-V1345 HydrophobicContact CG-CG1 4.18Å; E1299-K1349 WeakPolarHBondContact OE1-CE 3.46Å; E1299-K1349 IonicContact OE1-NZ 2.64Å; E1299-K1349 PolarHBondContact OE1-NZ 2.89Å |
| 1300 | I | 51 | Low | 48.8 | Very low | 80 Ų | 80 | 71.1 Ų | 71.1 | 41% | 0.41 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 175.8 | -69 | 164.6 | 0 | 0 | 0 | 110.8 | I1296 E1297 E1303 L1304 | I1296-I1300 HydrophobicContact CG2-CD1 3.9Å; I1296-I1300 WeakPolarHBondContact O-CD1 3.31Å; I1296-I1300 WeakPolarHBondContact O-CG1 3.22Å; I1296-I1300 PolarHBondContact O-N 3.16Å; E1297-I1300 PolarHBondContact O-N 3.29Å; I1300-E1303 PolarHBondContact O-N 2.8Å; I1300-L1304 HydrophobicContact CG2-CD1 3.93Å; I1300-L1304 WeakPolarHBondContact O-CB 3.46Å; I1300-L1304 VanDerWaalsContact O-CG 3.31Å; I1300-L1304 WeakPolarHBondContact O-CG 3.37Å; I1300-L1304 PolarHBondContact O-N 3.47Å |
| 1301 | L | 55.2 | Low | 48.8 | Very low | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.5 | -35.6 | 177.4 | -74 | 165.9 | 0 | 0 | 0 | 112.7 | M1278 E1297 A1298 E1299 G1305 L1341 | M1278-L1301 HydrophobicContact CG-CD1 4Å; E1297-L1301 WeakPolarHBondContact O-CB 3.33Å; E1297-L1301 VanDerWaalsContact O-CG 3.27Å; E1297-L1301 WeakPolarHBondContact O-CG 3.34Å; E1297-L1301 PolarHBondContact O-N 2.86Å; A1298-L1301 PolarHBondContact O-N 3.03Å; E1299-L1301 PolarHBondContact O-N 3.02Å; L1301-G1305 PolarHBondContact O-N 3.12Å; L1301-L1341 HydrophobicContact CB-CD2 4.21Å |
| 1302 | C | 55.4 | Low | 48.6 | Very low | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 172.4 | -77 | 0 | 0 | 0 | 0 | 111.9 | A1298 E1299 G1305 H1306 | A1298-C1302 WeakPolarHBondContact O-CB 3.47Å; A1298-C1302 PolarHBondContact O-N 3.37Å; A1298-C1302 PolarHBondContact O-SG 3.38Å; A1298-C1302 VanDerWaalsContact O-SG 3.33Å; E1299-C1302 PolarHBondContact O-N 2.79Å; C1302-G1305 WeakPolarHBondContact O-CA 3.43Å; C1302-G1305 PolarHBondContact O-N 2.96Å; C1302-G1305 VanDerWaalsContact O-N 3.16Å; C1302-H1306 PolarHBondContact O-CD2 2.83Å; C1302-H1306 PolarHBondContact O-N 2.74Å |
| 1303 | E | 50.5 | Low | 48.5 | Very low | 98 Ų | 98 | 72.4 Ų | 72.4 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 176.9 | -75 | -69.8 | 163.7 | 0 | 0 | 112.4 | E1299 I1300 G1305 H1306 L1307 | E1299-E1303 WeakPolarHBondContact O-CB 3.25Å; E1299-E1303 WeakPolarHBondContact O-CG 3.32Å; E1299-E1303 PolarHBondContact O-N 2.82Å; I1300-E1303 PolarHBondContact O-N 2.8Å; E1303-G1305 VanDerWaalsContact C-N 3.32Å; E1303-G1305 PolarHBondContact O-N 2.86Å; E1303-H1306 PolarHBondContact O-N 3.47Å; E1303-L1307 PolarHBondContact O-N 3.29Å; E1303-L1307 VanDerWaalsContact O-N 3.17Å |
| 1304 | L | 50.9 | Low | 47.7 | Very low | 73 Ų | 73 | 76.2 Ų | 76.2 | 38% | 0.382 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 169.9 | -76.3 | 167.2 | 0 | 0 | 0 | 111.6 | I1300 L1307 F1308 | I1300-L1304 HydrophobicContact CG2-CD1 3.93Å; I1300-L1304 WeakPolarHBondContact O-CB 3.46Å; I1300-L1304 VanDerWaalsContact O-CG 3.31Å; I1300-L1304 WeakPolarHBondContact O-CG 3.37Å; I1300-L1304 PolarHBondContact O-N 3.47Å; L1304-L1307 HydrophobicContact CD2-CD1 4.42Å; L1304-L1307 WeakPolarHBondContact O-CB 3.49Å; L1304-L1307 PolarHBondContact O-N 3.1Å; L1304-F1308 WeakPolarHBondContact O-CD2 3.43Å |
| 1305 | G | 52.9 | Low | 46.7 | Very low | 7 Ų | 7 | 80.5 Ų | 80.5 | 7% | 0.072 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1301 C1302 E1303 L1307 F1308 S1309 | L1301-G1305 PolarHBondContact O-N 3.12Å; C1302-G1305 WeakPolarHBondContact O-CA 3.43Å; C1302-G1305 PolarHBondContact O-N 2.96Å; C1302-G1305 VanDerWaalsContact O-N 3.16Å; E1303-G1305 VanDerWaalsContact C-N 3.32Å; E1303-G1305 PolarHBondContact O-N 2.86Å; G1305-L1307 VanDerWaalsContact C-N 3.33Å; G1305-F1308 PolarHBondContact O-N 3.22Å; G1305-S1309 PolarHBondContact O-N 2.9Å |
| 1306 | H | 52.2 | Low | 46.2 | Very low | 111 Ų | 111 | 85.2 Ų | 85.2 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.2 | -27.5 | 175.4 | -77.7 | -59.7 | 0 | 0 | 0 | 113.3 | C1302 E1303 F1308 | C1302-H1306 PolarHBondContact O-CD2 2.83Å; C1302-H1306 PolarHBondContact O-N 2.74Å; E1303-H1306 PolarHBondContact O-N 3.47Å; H1306-F1308 PolarHBondContact O-N 3.47Å |
| 1307 | L | 46.7 | Very low | 45.8 | Very low | 106 Ų | 106 | 88.4 Ų | 88.4 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -20.4 | 171.3 | -83.5 | 157.6 | 0 | 0 | 0 | 113.5 | E1303 L1304 G1305 | E1303-L1307 PolarHBondContact O-N 3.29Å; E1303-L1307 VanDerWaalsContact O-N 3.17Å; L1304-L1307 HydrophobicContact CD2-CD1 4.42Å; L1304-L1307 WeakPolarHBondContact O-CB 3.49Å; L1304-L1307 PolarHBondContact O-N 3.1Å; G1305-L1307 VanDerWaalsContact C-N 3.33Å |
| 1308 | F | 46.7 | Very low | 45.2 | Very low | 133 Ų | 133 | 93.3 Ų | 93.3 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.9 | -178.4 | -63 | -72.1 | 0 | 0 | 0 | 114.6 | L1304 G1305 H1306 I1330 | L1304-F1308 WeakPolarHBondContact O-CD2 3.43Å; G1305-F1308 PolarHBondContact O-N 3.22Å; H1306-F1308 PolarHBondContact O-N 3.47Å; F1308-I1330 VanDerWaalsContact C-CD1 3.47Å; F1308-I1330 HydrophobicContact CB-CD1 3.62Å; F1308-I1330 HydrophobicContact CB-CG1 4.42Å; F1308-I1330 WeakPolarHBondContact O-CD1 3.38Å |
| 1309 | S | 43.5 | Very low | 44.3 | Very low | 39 Ų | 39 | 98.5 Ų | 98.5 | 27% | 0.273 | 54% | 0.542 | S | S | . | . | trans | -101.8 | 120.9 | -174.3 | -170.2 | 0 | 0 | 0 | 0 | 113.3 | G1305 | G1305-S1309 PolarHBondContact O-N 2.9Š| ||
| 1310 | P | 41.6 | Very low | 43.4 | Very low | 75 Ų | 75 | 104.4 Ų | 104.4 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | trans | -95.4 | 96.7 | 172.5 | 33.1 | -23.5 | 0 | 0 | 0 | 109.3 | I1327 | P1310-I1327 HydrophobicContact CG-CG2 4.32Š| ||
| 1311 | T | 42.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 106.9 Ų | 106.9 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | trans | 176.9 | 137.9 | 156.2 | 24.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1312 | S | 37.6 | Very low | 41.6 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | 66.6 | 121.1 | 158 | 50 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1313 | D | 35.9 | Very low | 40.4 | Very low | 164 Ų | 164 | 115.7 Ų | 115.7 | 88% | 0.877 | 65% | 0.647 | S | S | * | * | S | Bend | cis | -157.3 | 34.3 | 43.1 | -95 | -23.1 | 0 | 0 | 0 | 115.7 | ||
| 1314 | S | 34.1 | Very low | 39.5 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 79% | 0.79 | 67% | 0.665 | S | S | * | * | trans | -128.1 | 97.8 | -179.9 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1315 | D | 32.8 | Very low | 38.7 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 17 | -163.4 | -107.9 | -11.7 | 0 | 0 | 0 | 117.2 | ||
| 1316 | H | 39.1 | Very low | 37.6 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -6.2 | -171.9 | -77.9 | -57.2 | 0 | 0 | 0 | 117.8 | ||
| 1317 | L | 38.1 | Very low | 36.8 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -114.3 | -7.3 | -176.8 | -82.4 | 160 | 0 | 0 | 0 | 115.3 | ||
| 1318 | L | 37.7 | Very low | 36.5 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | trans | -93.8 | 2 | -171.6 | -116 | 89 | 0 | 0 | 0 | 116.1 | F1320 | L1318-F1320 PolarHBondContact O-N 3.47Å; L1318-F1320 VanDerWaalsContact O-N 3.13Å | ||
| 1319 | S | 34.4 | Very low | 36.2 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 7.2 | -175.2 | 71.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1320 | F | 33 | Very low | 36.4 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -4 | -170.6 | -134.4 | -92.2 | 0 | 0 | 0 | 115.5 | L1318 | L1318-F1320 PolarHBondContact O-N 3.47Å; L1318-F1320 VanDerWaalsContact O-N 3.13Å |
| 1321 | V | 36.2 | Very low | 37.1 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -131.5 | -5.7 | -165.5 | -173.3 | 0 | 0 | 0 | 0 | 116.6 | A1323 | V1321-A1323 PolarHBondContact O-N 2.81Š|
| 1322 | T | 31.4 | Very low | 37.6 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -90.7 | 94.3 | -178.3 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1323 | A | 31.7 | Very low | 38.5 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -119.7 | -35.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1321 | V1321-A1323 PolarHBondContact O-N 2.81Š|
| 1324 | H | 31.4 | Very low | 39.4 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -146.5 | 123.3 | -174.4 | -72.8 | -34 | 0 | 0 | 0 | 115.2 | ||
| 1325 | Q | 32.8 | Very low | 40.6 | Very low | 183 Ų | 183 | 125.5 Ų | 125.5 | 86% | 0.855 | 66% | 0.661 | S | S | * | * | trans | 88.6 | 103.6 | 147.8 | -65.3 | 179.4 | -12.7 | 0 | 0 | 122.5 | ||||
| 1326 | K | 30.3 | Very low | 42.1 | Very low | 207 Ų | 207 | 125 Ų | 125 | 90% | 0.9 | 65% | 0.647 | S | S | * | * | trans | 38.8 | 98.8 | 139.4 | -68.7 | -177.8 | 176.8 | 179.4 | 0 | 120.8 | ||||
| 1327 | I | 35.4 | Very low | 43.2 | Very low | 137 Ų | 137 | 117.8 Ų | 117.8 | 70% | 0.703 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 140.1 | 169.6 | -63.6 | 170.7 | 0 | 0 | 0 | 111.7 | P1310 | P1310-I1327 HydrophobicContact CG-CG2 4.32Š|
| 1328 | I | 41.3 | Very low | 44.3 | Very low | 132 Ų | 132 | 111.1 Ų | 111.1 | 68% | 0.677 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 128.7 | -177 | -63.9 | 168.5 | 0 | 0 | 0 | 111.2 | ||
| 1329 | V | 39.6 | Very low | 45.6 | Very low | 121 Ų | 121 | 110 Ų | 110 | 73% | 0.733 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 121 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 111 | ||
| 1330 | I | 48.6 | Very low | 47 | Very low | 33 Ų | 33 | 111 Ų | 111 | 17% | 0.169 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -67 | 139.7 | 166.4 | -63.2 | -179.6 | 0 | 0 | 0 | 109.1 | F1308 D1332 L1334 | F1308-I1330 VanDerWaalsContact C-CD1 3.47Å; F1308-I1330 HydrophobicContact CB-CD1 3.62Å; F1308-I1330 HydrophobicContact CB-CG1 4.42Å; F1308-I1330 WeakPolarHBondContact O-CD1 3.38Å; I1330-D1332 PolarHBondContact O-N 3.47Å; I1330-L1334 HydrophobicContact CG2-CB 3.84Å; I1330-L1334 HydrophobicContact CG2-CD2 3.92Å; I1330-L1334 HydrophobicContact CG2-CG 4.21Å |
| 1331 | S | 54.8 | Low | 48.3 | Very low | 58 Ų | 58 | 102 Ų | 102 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 136 | 177.4 | 77.3 | 0 | 0 | 0 | 0 | 111 | K1333 L1334 D1335 | S1331-K1333 PolarHBondContact O-N 2.95Å; S1331-L1334 PolarHBondContact O-N 3.16Å; S1331-L1334 PolarHBondContact OG-N 3.03Å; S1331-D1335 PolarHBondContact O-N 3.37Å |
| 1332 | D | 53.6 | Low | 49.6 | Very low | 110 Ų | 110 | 98 Ų | 98 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -52.5 | -14.7 | 178.3 | -151.4 | 41 | 0 | 0 | 0 | 114.4 | I1330 R1336 | I1330-D1332 PolarHBondContact O-N 3.47Å; D1332-R1336 VanDerWaalsContact O-CG 3.28Å; D1332-R1336 WeakPolarHBondContact O-CG 3.47Å; D1332-R1336 PolarHBondContact O-NE 2.94Å; D1332-R1336 IonicContact OD2-CZ 3.22Å; D1332-R1336 IonicContact OD2-NE 2.77Å; D1332-R1336 IonicContact OD2-NH2 2.69Å; D1332-R1336 PolarHBondContact OD2-NH2 3.09Å |
| 1333 | K | 55.6 | Low | 51 | Low | 132 Ų | 132 | 95.7 Ų | 95.7 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -88.1 | -35.9 | 176.5 | -155.1 | 174 | -172.7 | 174.3 | 0 | 113.1 | S1331 Q1337 | S1331-K1333 PolarHBondContact O-N 2.95Å; K1333-Q1337 WeakPolarHBondContact O-CG 3.27Å; K1333-Q1337 PolarHBondContact O-N 3.48Å |
| 1334 | L | 56.3 | Low | 52.4 | Low | 18 Ų | 18 | 96.6 Ų | 96.6 | 9% | 0.094 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -76 | -37.4 | 178.4 | -172.9 | 66.6 | 0 | 0 | 0 | 110.9 | K1272 I1330 S1331 R1336 Q1337 L1338 | K1272-L1334 HydrophobicContact CB-CD1 4.23Å; I1330-L1334 HydrophobicContact CG2-CB 3.84Å; I1330-L1334 HydrophobicContact CG2-CD2 3.92Å; I1330-L1334 HydrophobicContact CG2-CG 4.21Å; S1331-L1334 PolarHBondContact O-N 3.16Å; S1331-L1334 PolarHBondContact OG-N 3.03Å; L1334-R1336 VanDerWaalsContact C-N 3.3Å; L1334-R1336 PolarHBondContact O-N 2.94Å; L1334-Q1337 PolarHBondContact O-N 3.05Å; L1334-L1338 HydrophobicContact CG-CD1 4.21Å; L1334-L1338 PolarHBondContact O-N 3.09Å |
| 1335 | D | 58.9 | Low | 53.6 | Low | 34 Ų | 34 | 88.5 Ų | 88.5 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 172 | -170 | 64.6 | 0 | 0 | 0 | 111.6 | S1331 L1338 K1339 | S1331-D1335 PolarHBondContact O-N 3.37Å; D1335-L1338 PolarHBondContact O-N 3.09Å; D1335-K1339 WeakPolarHBondContact O-CB 3.33Å; D1335-K1339 PolarHBondContact O-N 3.32Å; D1335-K1339 IonicContact OD2-NZ 3.18Å; D1335-K1339 PolarHBondContact OD2-NZ 3.14Å |
| 1336 | R | 62.9 | Low | 54.7 | Low | 151 Ų | 151 | 82.5 Ų | 82.5 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.8 | -38.4 | 174.1 | -75.2 | -176.9 | -126.8 | -152.9 | -0.9 | 113.5 | D1332 L1334 K1340 | D1332-R1336 VanDerWaalsContact O-CG 3.28Å; D1332-R1336 WeakPolarHBondContact O-CG 3.47Å; D1332-R1336 PolarHBondContact O-NE 2.94Å; D1332-R1336 IonicContact OD2-CZ 3.22Å; D1332-R1336 IonicContact OD2-NE 2.77Å; D1332-R1336 IonicContact OD2-NH2 2.69Å; D1332-R1336 PolarHBondContact OD2-NH2 3.09Å; L1334-R1336 VanDerWaalsContact C-N 3.3Å; L1334-R1336 PolarHBondContact O-N 2.94Å; R1336-K1340 WeakPolarHBondContact O-CG 3.26Å; R1336-K1340 PolarHBondContact O-N 2.97Å |
| 1337 | Q | 62.5 | Low | 55.7 | Low | 31 Ų | 31 | 76.5 Ų | 76.5 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 177.7 | -70.9 | -72 | 21.5 | 0 | 0 | 111.2 | V1275 D1276 K1333 L1334 K1340 L1341 | V1275-Q1337 HydrophobicContact CG1-CB 3.79Å; D1276-Q1337 VanDerWaalsContact OD1-CD 3.3Å; D1276-Q1337 PolarHBondContact OD1-NE2 2.88Å; K1333-Q1337 WeakPolarHBondContact O-CG 3.27Å; K1333-Q1337 PolarHBondContact O-N 3.48Å; L1334-Q1337 PolarHBondContact O-N 3.05Å; Q1337-K1340 WeakPolarHBondContact O-CB 3.14Å; Q1337-K1340 PolarHBondContact O-N 2.95Å; Q1337-L1341 PolarHBondContact O-N 2.84Å |
| 1338 | L | 62.4 | Low | 56.5 | Low | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | 175.2 | -79.2 | 163.5 | 0 | 0 | 0 | 112.1 | L1334 D1335 L1341 N1342 | L1334-L1338 HydrophobicContact CG-CD1 4.21Å; L1334-L1338 PolarHBondContact O-N 3.09Å; D1335-L1338 PolarHBondContact O-N 3.09Å; L1338-L1341 PolarHBondContact O-N 3.03Å; L1338-N1342 WeakPolarHBondContact O-CB 3.45Å; L1338-N1342 PolarHBondContact O-N 3.47Å |
| 1339 | K | 64.4 | Low | 57.1 | Low | 115 Ų | 115 | 70.9 Ų | 70.9 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 171.1 | -89.2 | 174.3 | 178.2 | 141.8 | 0 | 112.2 | D1335 L1341 N1342 D1343 | D1335-K1339 WeakPolarHBondContact O-CB 3.33Å; D1335-K1339 PolarHBondContact O-N 3.32Å; D1335-K1339 IonicContact OD2-NZ 3.18Å; D1335-K1339 PolarHBondContact OD2-NZ 3.14Å; K1339-L1341 VanDerWaalsContact C-N 3.33Å; K1339-L1341 PolarHBondContact O-N 3.3Å; K1339-N1342 PolarHBondContact O-N 3.24Å; K1339-D1343 WeakPolarHBondContact O-CB 3.25Å; K1339-D1343 PolarHBondContact O-N 2.82Å |
| 1340 | K | 65.1 | Low | 57.6 | Low | 133 Ų | 133 | 72 Ų | 72 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | 176 | -79.7 | -178.6 | 177.3 | -172 | 0 | 112.7 | R1336 Q1337 H1344 | R1336-K1340 WeakPolarHBondContact O-CG 3.26Å; R1336-K1340 PolarHBondContact O-N 2.97Å; Q1337-K1340 WeakPolarHBondContact O-CB 3.14Å; Q1337-K1340 PolarHBondContact O-N 2.95Å; K1340-H1344 WeakPolarHBondContact O-CB 3.31Å; K1340-H1344 PolarHBondContact O-N 2.98Å |
| 1341 | L | 59.6 | Low | 57.6 | Low | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.7 | -171.8 | 64.4 | 0 | 0 | 0 | 111 | I1279 A1298 L1301 Q1337 L1338 K1339 H1344 V1345 | I1279-L1341 HydrophobicContact CG1-CD1 4.49Å; A1298-L1341 HydrophobicContact CB-CD1 4Å; A1298-L1341 HydrophobicContact CB-CD2 4.36Å; A1298-L1341 HydrophobicContact CB-CG 4.24Å; L1301-L1341 HydrophobicContact CB-CD2 4.21Å; Q1337-L1341 PolarHBondContact O-N 2.84Å; L1338-L1341 PolarHBondContact O-N 3.03Å; K1339-L1341 VanDerWaalsContact C-N 3.33Å; K1339-L1341 PolarHBondContact O-N 3.3Å; L1341-H1344 WeakPolarHBondContact O-CB 3.39Å; L1341-H1344 PolarHBondContact O-N 3.33Å; L1341-V1345 WeakPolarHBondContact O-CG2 3.42Å; L1341-V1345 PolarHBondContact O-N 2.96Å |
| 1342 | N | 63.6 | Low | 57.3 | Low | 48 Ų | 48 | 73.1 Ų | 73.1 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.5 | -170.8 | 43.2 | 0 | 0 | 0 | 112.3 | L1338 K1339 H1344 V1345 N1346 | L1338-N1342 WeakPolarHBondContact O-CB 3.45Å; L1338-N1342 PolarHBondContact O-N 3.47Å; K1339-N1342 PolarHBondContact O-N 3.24Å; N1342-H1344 VanDerWaalsContact C-N 3.33Å; N1342-H1344 PolarHBondContact O-N 3.37Å; N1342-V1345 PolarHBondContact O-N 2.92Å; N1342-N1346 PolarHBondContact ND2-ND2 3.41Å; N1342-N1346 WeakPolarHBondContact O-CB 3.46Å; N1342-N1346 VanDerWaalsContact O-CG 3.29Å; N1342-N1346 PolarHBondContact O-N 2.81Å; N1342-N1346 PolarHBondContact O-ND2 2.77Å; N1342-N1346 PolarHBondContact OD1-ND2 3.17Å |
| 1343 | D | 61.3 | Low | 57.1 | Low | 84 Ų | 84 | 70.6 Ų | 70.6 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -41 | 174.3 | -71.9 | -22.6 | 0 | 0 | 0 | 111.1 | K1339 N1346 N1347 | K1339-D1343 WeakPolarHBondContact O-CB 3.25Å; K1339-D1343 PolarHBondContact O-N 2.82Å; D1343-N1346 PolarHBondContact O-N 2.86Å; D1343-N1347 VanDerWaalsContact O-CB 3.23Å; D1343-N1347 WeakPolarHBondContact O-CB 3.38Å; D1343-N1347 PolarHBondContact O-N 2.98Å; D1343-N1347 PolarHBondContact O-ND2 2.81Å; D1343-N1347 VanDerWaalsContact O-ND2 3.16Å |
| 1344 | H | 59.1 | Low | 56.8 | Low | 99 Ų | 99 | 67.7 Ų | 67.7 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 177.4 | -161.9 | 74.4 | 0 | 0 | 0 | 111.9 | K1340 L1341 N1342 N1347 T1348 | K1340-H1344 WeakPolarHBondContact O-CB 3.31Å; K1340-H1344 PolarHBondContact O-N 2.98Å; L1341-H1344 WeakPolarHBondContact O-CB 3.39Å; L1341-H1344 PolarHBondContact O-N 3.33Å; N1342-H1344 VanDerWaalsContact C-N 3.33Å; N1342-H1344 PolarHBondContact O-N 3.37Å; H1344-N1347 PolarHBondContact O-N 3.26Å; H1344-T1348 WeakPolarHBondContact O-CB 3.27Å; H1344-T1348 PolarHBondContact O-N 3.17Å; H1344-T1348 PolarHBondContact O-OG1 2.86Å |
| 1345 | V | 56.7 | Low | 56.4 | Low | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | L1295 A1298 E1299 L1341 N1342 T1348 K1349 | L1295-V1345 HydrophobicContact CD2-CG1 4.38Å; A1298-V1345 HydrophobicContact CB-CG2 3.93Å; E1299-V1345 HydrophobicContact CG-CG1 4.18Å; L1341-V1345 WeakPolarHBondContact O-CG2 3.42Å; L1341-V1345 PolarHBondContact O-N 2.96Å; N1342-V1345 PolarHBondContact O-N 2.92Å; V1345-T1348 PolarHBondContact O-N 2.72Å; V1345-K1349 PolarHBondContact O-N 3.24Å |
| 1346 | N | 56.4 | Low | 55.9 | Low | 58 Ų | 58 | 74 Ų | 74 | 31% | 0.31 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.1 | -36 | -179.4 | -73.7 | -42.3 | 0 | 0 | 0 | 113.2 | N1342 D1343 R1350 | N1342-N1346 PolarHBondContact ND2-ND2 3.41Å; N1342-N1346 WeakPolarHBondContact O-CB 3.46Å; N1342-N1346 VanDerWaalsContact O-CG 3.29Å; N1342-N1346 PolarHBondContact O-N 2.81Å; N1342-N1346 PolarHBondContact O-ND2 2.77Å; N1342-N1346 PolarHBondContact OD1-ND2 3.17Å; D1343-N1346 PolarHBondContact O-N 2.86Å; N1346-R1350 WeakPolarHBondContact O-CB 3.12Å; N1346-R1350 PolarHBondContact O-N 2.75Å |
| 1347 | N | 52.6 | Low | 55.1 | Low | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 175.1 | -72.1 | -21.4 | 0 | 0 | 0 | 111.4 | D1343 H1344 R1350 A1351 | D1343-N1347 VanDerWaalsContact O-CB 3.23Å; D1343-N1347 WeakPolarHBondContact O-CB 3.38Å; D1343-N1347 PolarHBondContact O-N 2.98Å; D1343-N1347 PolarHBondContact O-ND2 2.81Å; D1343-N1347 VanDerWaalsContact O-ND2 3.16Å; H1344-N1347 PolarHBondContact O-N 3.26Å; N1347-R1350 PolarHBondContact O-N 2.79Å; N1347-R1350 PolarHBondContact OD1-NH2 3.43Å; N1347-A1351 WeakPolarHBondContact O-CB 3.4Å; N1347-A1351 PolarHBondContact O-N 2.92Å |
| 1348 | T | 51.1 | Low | 54.3 | Low | 48 Ų | 48 | 76.6 Ų | 76.6 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | H1344 V1345 A1351 I1352 | H1344-T1348 WeakPolarHBondContact O-CB 3.27Å; H1344-T1348 PolarHBondContact O-N 3.17Å; H1344-T1348 PolarHBondContact O-OG1 2.86Å; V1345-T1348 PolarHBondContact O-N 2.72Å; T1348-A1351 PolarHBondContact O-N 3.47Å; T1348-I1352 HydrophobicContact CG2-CD1 4.33Å; T1348-I1352 WeakPolarHBondContact O-CG1 3.46Å; T1348-I1352 PolarHBondContact O-N 3.47Å; T1348-I1352 VanDerWaalsContact O-N 3.11Å |
| 1349 | K | 53.3 | Low | 53.4 | Low | 104 Ų | 104 | 80.2 Ų | 80.2 | 45% | 0.452 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 172.8 | -75.5 | -179.8 | 179.3 | 173.8 | 0 | 112.3 | E1299 V1345 I1352 S1353 | E1299-K1349 WeakPolarHBondContact OE1-CE 3.46Å; E1299-K1349 IonicContact OE1-NZ 2.64Å; E1299-K1349 PolarHBondContact OE1-NZ 2.89Å; V1345-K1349 PolarHBondContact O-N 3.24Å; K1349-I1352 PolarHBondContact O-N 3.44Å; K1349-S1353 WeakPolarHBondContact O-CB 3.44Å; K1349-S1353 PolarHBondContact O-N 3.01Å |
| 1350 | R | 50.9 | Low | 52.5 | Low | 143 Ų | 143 | 76.7 Ų | 76.7 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.1 | -98.7 | -177.3 | -78.5 | 147.4 | -0.2 | 112.2 | N1346 N1347 I1352 S1353 D1354 | N1346-R1350 WeakPolarHBondContact O-CB 3.12Å; N1346-R1350 PolarHBondContact O-N 2.75Å; N1347-R1350 PolarHBondContact O-N 2.79Å; N1347-R1350 PolarHBondContact OD1-NH2 3.43Å; R1350-I1352 PolarHBondContact O-N 2.98Å; R1350-S1353 PolarHBondContact O-N 3.22Å; R1350-D1354 VanDerWaalsContact O-CB 3.31Å; R1350-D1354 WeakPolarHBondContact O-CB 3.42Å; R1350-D1354 PolarHBondContact O-N 2.97Å |
| 1351 | A | 48.4 | Very low | 51.4 | Low | 33 Ų | 33 | 74.7 Ų | 74.7 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1347 T1348 L1355 | N1347-A1351 WeakPolarHBondContact O-CB 3.4Å; N1347-A1351 PolarHBondContact O-N 2.92Å; T1348-A1351 PolarHBondContact O-N 3.47Å; A1351-L1355 WeakPolarHBondContact O-CB 3.2Å; A1351-L1355 PolarHBondContact O-N 2.95Å |
| 1352 | I | 49.1 | Very low | 50.6 | Low | 83 Ų | 83 | 81.7 Ų | 81.7 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.8 | -65.3 | 168.8 | 0 | 0 | 0 | 110.5 | T1348 K1349 R1350 L1355 Y1356 | T1348-I1352 HydrophobicContact CG2-CD1 4.33Å; T1348-I1352 WeakPolarHBondContact O-CG1 3.46Å; T1348-I1352 PolarHBondContact O-N 3.47Å; T1348-I1352 VanDerWaalsContact O-N 3.11Å; K1349-I1352 PolarHBondContact O-N 3.44Å; R1350-I1352 PolarHBondContact O-N 2.98Å; I1352-L1355 PolarHBondContact O-N 2.91Å; I1352-Y1356 VanDerWaalsContact O-CB 3.29Å; I1352-Y1356 WeakPolarHBondContact O-CB 3.47Å; I1352-Y1356 PolarHBondContact O-N 3.37Å |
| 1353 | S | 48.8 | Very low | 49.3 | Very low | 56 Ų | 56 | 84.8 Ų | 84.8 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.1 | -160.8 | 0 | 0 | 0 | 0 | 112.2 | K1349 R1350 L1355 Y1356 D1357 | K1349-S1353 WeakPolarHBondContact O-CB 3.44Å; K1349-S1353 PolarHBondContact O-N 3.01Å; R1350-S1353 PolarHBondContact O-N 3.22Å; S1353-L1355 PolarHBondContact O-N 2.82Å; S1353-Y1356 CarbonylContact O-C 3.57Å; S1353-Y1356 WeakPolarHBondContact O-CB 3.26Å; S1353-Y1356 PolarHBondContact O-N 2.97Å; S1353-Y1356 VanDerWaalsContact O-N 3.16Å; S1353-D1357 VanDerWaalsContact O-CB 3.3Å; S1353-D1357 WeakPolarHBondContact O-CB 3.25Å; S1353-D1357 VanDerWaalsContact O-CG 3.24Å; S1353-D1357 PolarHBondContact O-N 2.85Å; S1353-D1357 PolarHBondContact OG-OD2 2.81Å |
| 1354 | D | 49.3 | Very low | 48 | Very low | 72 Ų | 72 | 89 Ų | 89 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 178.9 | -103.9 | 43.1 | 0 | 0 | 0 | 111.9 | R1350 Y1356 K1358 | R1350-D1354 VanDerWaalsContact O-CB 3.31Å; R1350-D1354 WeakPolarHBondContact O-CB 3.42Å; R1350-D1354 PolarHBondContact O-N 2.97Å; D1354-Y1356 VanDerWaalsContact C-N 3.35Å; D1354-K1358 WeakPolarHBondContact O-CB 3.28Å; D1354-K1358 WeakPolarHBondContact O-CD 3.04Å; D1354-K1358 VanDerWaalsContact O-CG 3.24Å; D1354-K1358 WeakPolarHBondContact O-CG 3.31Å; D1354-K1358 PolarHBondContact O-N 3.18Å; D1354-K1358 IonicContact OD2-NZ 3.42Å; D1354-K1358 PolarHBondContact OD2-NZ 3.47Å |
| 1355 | L | 47.5 | Very low | 46.8 | Very low | 57 Ų | 57 | 90.9 Ų | 90.9 | 30% | 0.298 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 172.9 | -85 | 160.3 | 0 | 0 | 0 | 111.1 | A1351 I1352 S1353 F1359 | A1351-L1355 WeakPolarHBondContact O-CB 3.2Å; A1351-L1355 PolarHBondContact O-N 2.95Å; I1352-L1355 PolarHBondContact O-N 2.91Å; S1353-L1355 PolarHBondContact O-N 2.82Å; L1355-F1359 HydrophobicContact CD2-CD2 3.99Å; L1355-F1359 HydrophobicContact CD2-CE2 3.87Å; L1355-F1359 WeakPolarHBondContact O-CB 3.41Å; L1355-F1359 WeakPolarHBondContact O-CD2 3.45Å; L1355-F1359 PolarHBondContact O-N 3.48Å |
| 1356 | Y | 48.4 | Very low | 45.5 | Very low | 126 Ų | 126 | 96 Ų | 96 | 49% | 0.494 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -48 | 175.5 | -167.2 | -89.4 | 0 | 0 | 0 | 111.9 | I1352 S1353 D1354 L1360 | I1352-Y1356 VanDerWaalsContact O-CB 3.29Å; I1352-Y1356 WeakPolarHBondContact O-CB 3.47Å; I1352-Y1356 PolarHBondContact O-N 3.37Å; S1353-Y1356 CarbonylContact O-C 3.57Å; S1353-Y1356 WeakPolarHBondContact O-CB 3.26Å; S1353-Y1356 PolarHBondContact O-N 2.97Å; S1353-Y1356 VanDerWaalsContact O-N 3.16Å; D1354-Y1356 VanDerWaalsContact C-N 3.35Å; Y1356-L1360 HydrophobicContact CE2-CD2 4.1Å; Y1356-L1360 WeakPolarHBondContact O-CB 3.45Å; Y1356-L1360 PolarHBondContact O-N 3.34Å |
| 1357 | D | 47.7 | Very low | 44.2 | Very low | 96 Ų | 96 | 97.2 Ų | 97.2 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73 | -27.3 | -177.9 | -69.4 | -32.8 | 0 | 0 | 0 | 112.8 | S1353 P1361 | S1353-D1357 VanDerWaalsContact O-CB 3.3Å; S1353-D1357 WeakPolarHBondContact O-CB 3.25Å; S1353-D1357 VanDerWaalsContact O-CG 3.24Å; S1353-D1357 PolarHBondContact O-N 2.85Å; S1353-D1357 PolarHBondContact OG-OD2 2.81Å; D1357-P1361 WeakPolarHBondContact O-CD 3.24Å; D1357-P1361 WeakPolarHBondContact O-CG 3.45Å |
| 1358 | K | 45.2 | Very low | 43.2 | Very low | 142 Ų | 142 | 103 Ų | 103 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -87.5 | -26.4 | 178.1 | -74.6 | 169.6 | 176.7 | 151.5 | 0 | 114.3 | D1354 | D1354-K1358 WeakPolarHBondContact O-CB 3.28Å; D1354-K1358 WeakPolarHBondContact O-CD 3.04Å; D1354-K1358 VanDerWaalsContact O-CG 3.24Å; D1354-K1358 WeakPolarHBondContact O-CG 3.31Å; D1354-K1358 PolarHBondContact O-N 3.18Å; D1354-K1358 IonicContact OD2-NZ 3.42Å; D1354-K1358 PolarHBondContact OD2-NZ 3.47Å |
| 1359 | F | 43.4 | Very low | 42.4 | Very low | 96 Ų | 96 | 108.8 Ų | 108.8 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -113.9 | -16.6 | -172.7 | -72.6 | -89.3 | 0 | 0 | 0 | 115.2 | L1355 L1379 Y1411 | L1355-F1359 HydrophobicContact CD2-CD2 3.99Å; L1355-F1359 HydrophobicContact CD2-CE2 3.87Å; L1355-F1359 WeakPolarHBondContact O-CB 3.41Å; L1355-F1359 WeakPolarHBondContact O-CD2 3.45Å; L1355-F1359 PolarHBondContact O-N 3.48Å; F1359-L1379 HydrophobicContact CB-CD2 3.76Å; F1359-L1379 HydrophobicContact CD1-CD2 4.44Å; F1359-L1379 HydrophobicContact CG-CD2 4.03Å; F1359-Y1411 HydrophobicContact CZ-CE1 4.17Å |
| 1360 | L | 44.6 | Very low | 41.6 | Very low | 40 Ų | 40 | 107.9 Ų | 107.9 | 21% | 0.209 | 56% | 0.561 | C | S | . | * | trans | -110.7 | 0.5 | -177.8 | -106.4 | 82.8 | 0 | 0 | 0 | 119.5 | Y1356 H1362 H1363 | Y1356-L1360 HydrophobicContact CE2-CD2 4.1Å; Y1356-L1360 WeakPolarHBondContact O-CB 3.45Å; Y1356-L1360 PolarHBondContact O-N 3.34Å; L1360-H1362 PolarHBondContact O-N 3.44Å; L1360-H1363 PolarHBondContact O-N 3.28Å | ||
| 1361 | P | 42.5 | Very low | 41.2 | Very low | 92 Ų | 92 | 107.2 Ų | 107.2 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -6.6 | 179 | -21.8 | 31.1 | 0 | 0 | 0 | 116.1 | D1357 | D1357-P1361 WeakPolarHBondContact O-CD 3.24Å; D1357-P1361 WeakPolarHBondContact O-CG 3.45Å |
| 1362 | H | 42.5 | Very low | 41 | Very low | 151 Ų | 151 | 110.1 Ų | 110.1 | 70% | 0.699 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 11.7 | -175.7 | -70.2 | -62.4 | 0 | 0 | 0 | 114.7 | L1360 | L1360-H1362 PolarHBondContact O-N 3.44Š|
| 1363 | H | 37.1 | Very low | 40.7 | Very low | 113 Ų | 113 | 109.1 Ų | 109.1 | 52% | 0.523 | 57% | 0.574 | S | S | . | * | trans | -129 | 105.5 | 177.7 | -74.8 | -62.2 | 0 | 0 | 0 | 113 | L1360 L1365 | L1360-H1363 PolarHBondContact O-N 3.28Å; H1363-L1365 PolarHBondContact O-N 3.47Å | ||
| 1364 | D | 33.6 | Very low | 40.8 | Very low | 171 Ų | 171 | 108.7 Ų | 108.7 | 91% | 0.914 | 57% | 0.571 | S | S | * | * | trans | -64.9 | 90.2 | 163.1 | -77.3 | -38.8 | 0 | 0 | 0 | 109.9 | ||||
| 1365 | L | 33.2 | Very low | 40.7 | Very low | 139 Ų | 139 | 107 Ų | 107 | 73% | 0.728 | 56% | 0.561 | S | S | * | * | trans | -118.1 | 113.5 | 169.1 | -81 | 167.9 | 0 | 0 | 0 | 110.2 | H1363 | H1363-L1365 PolarHBondContact O-N 3.47Š| ||
| 1366 | P | 28.8 | Very low | 41 | Very low | 115 Ų | 115 | 105.9 Ų | 105.9 | 75% | 0.747 | 56% | 0.556 | S | S | * | * | trans | -78.3 | 133 | -179.4 | 18.4 | -10.9 | 0 | 0 | 0 | 112 | Y1368 | P1366-Y1368 PolarHBondContact O-N 3.07Š| ||
| 1367 | G | 30.9 | Very low | 41.4 | Very low | 84 Ų | 84 | 104.9 Ų | 104.9 | 87% | 0.866 | 56% | 0.555 | S | S | * | * | trans | 71.4 | 26.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1368 | Y | 30.9 | Very low | 41.5 | Very low | 203 Ų | 203 | 105.2 Ų | 105.2 | 80% | 0.796 | 56% | 0.561 | S | S | * | * | trans | -104.5 | 129.1 | 170.9 | -95 | -95.9 | 0 | 0 | 0 | 112.8 | P1366 I1370 | P1366-Y1368 PolarHBondContact O-N 3.07Å; Y1368-I1370 WeakPolarHBondContact O-CG1 3.42Å; Y1368-I1370 PolarHBondContact O-N 3.46Å | ||
| 1369 | N | 33.8 | Very low | 41.6 | Very low | 169 Ų | 169 | 99.6 Ų | 99.6 | 90% | 0.904 | 54% | 0.538 | S | S | * | . | trans | -72.9 | 71.2 | 169.4 | -144.6 | -0.7 | 0 | 0 | 0 | 107.5 | Q1371 | N1369-Q1371 PolarHBondContact O-N 2.94Š| ||
| 1370 | I | 36.1 | Very low | 42.4 | Very low | 85 Ų | 85 | 95.6 Ų | 95.6 | 44% | 0.436 | 52% | 0.52 | S | S | . | . | trans | -71.1 | 113.1 | -168.9 | -64.9 | 174.1 | 0 | 0 | 0 | 108.7 | Y1368 S1374 L1375 | Y1368-I1370 WeakPolarHBondContact O-CG1 3.42Å; Y1368-I1370 PolarHBondContact O-N 3.46Å; I1370-S1374 WeakPolarHBondContact CG2-OG 3.34Å; I1370-L1375 HydrophobicContact CD1-CD1 4.46Å; I1370-L1375 HydrophobicContact CG2-CB 3.98Å; I1370-L1375 HydrophobicContact CG2-CD1 3.87Å | ||
| 1371 | Q | 43.7 | Very low | 43 | Very low | 129 Ų | 129 | 93.7 Ų | 93.7 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | trans | -56.7 | 141.4 | 170.3 | -68 | -179.5 | -14.5 | 0 | 0 | 108.9 | N1369 D1373 S1374 L1375 | N1369-Q1371 PolarHBondContact O-N 2.94Å; Q1371-D1373 PolarHBondContact O-N 2.75Å; Q1371-S1374 PolarHBondContact N-OG 3.14Å; Q1371-S1374 PolarHBondContact O-N 3.18Å; Q1371-S1374 PolarHBondContact O-OG 2.7Å; Q1371-L1375 PolarHBondContact O-N 2.78Å | ||
| 1372 | T | 43.4 | Very low | 43.6 | Very low | 93 Ų | 93 | 90.2 Ų | 90.2 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -46.7 | -32 | 179.1 | 15.3 | 0 | 0 | 0 | 0 | 113.3 | L1376 | T1372-L1376 WeakPolarHBondContact O-CD1 3.28Å; T1372-L1376 WeakPolarHBondContact O-CG 3.42Å; T1372-L1376 PolarHBondContact O-N 2.84Å |
| 1373 | D | 42.5 | Very low | 44.5 | Very low | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.332 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 176.1 | -71.7 | -38.9 | 0 | 0 | 0 | 114.1 | Q1371 L1375 L1376 E1377 K1397 | Q1371-D1373 PolarHBondContact O-N 2.75Å; D1373-L1375 VanDerWaalsContact C-N 3.35Å; D1373-L1376 PolarHBondContact O-N 2.75Å; D1373-E1377 PolarHBondContact O-N 2.76Å; D1373-K1397 VanDerWaalsContact OD1-CE 3.28Å; D1373-K1397 WeakPolarHBondContact OD1-CE 3.47Å; D1373-K1397 IonicContact OD1-NZ 2.68Å; D1373-K1397 PolarHBondContact OD1-NZ 3Å |
| 1374 | S | 50.8 | Low | 45.2 | Very low | 48 Ų | 48 | 82.5 Ų | 82.5 | 34% | 0.336 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.6 | -29.5 | 177.8 | 34.3 | 0 | 0 | 0 | 0 | 113 | I1370 Q1371 V1378 | I1370-S1374 WeakPolarHBondContact CG2-OG 3.34Å; Q1371-S1374 PolarHBondContact N-OG 3.14Å; Q1371-S1374 PolarHBondContact O-N 3.18Å; Q1371-S1374 PolarHBondContact O-OG 2.7Å; S1374-V1378 WeakPolarHBondContact O-CG2 3.5Å; S1374-V1378 PolarHBondContact O-N 2.81Å |
| 1375 | L | 48.7 | Very low | 46.3 | Very low | 35 Ų | 35 | 80 Ų | 80 | 18% | 0.183 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -71.6 | -38.2 | 173.4 | -151.9 | 85.7 | 0 | 0 | 0 | 110.8 | I1370 Q1371 D1373 V1378 L1379 | I1370-L1375 HydrophobicContact CD1-CD1 4.46Å; I1370-L1375 HydrophobicContact CG2-CB 3.98Å; I1370-L1375 HydrophobicContact CG2-CD1 3.87Å; Q1371-L1375 PolarHBondContact O-N 2.78Å; D1373-L1375 VanDerWaalsContact C-N 3.35Å; L1375-V1378 PolarHBondContact O-N 2.97Å; L1375-L1379 HydrophobicContact CD2-CD1 4.14Å; L1375-L1379 HydrophobicContact CG-CD1 4.12Å; L1375-L1379 WeakPolarHBondContact O-CB 3.29Å; L1375-L1379 WeakPolarHBondContact O-CD1 3.39Å; L1375-L1379 WeakPolarHBondContact O-CG 3.09Å; L1375-L1379 PolarHBondContact O-N 2.82Å; L1375-L1379 VanDerWaalsContact O-N 3.09Å |
| 1376 | L | 52.7 | Low | 47.3 | Very low | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.178 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.8 | -35.7 | 176.8 | -77.6 | 162.9 | 0 | 0 | 0 | 113.1 | T1372 D1373 V1378 L1379 L1380 L1393 F1396 | T1372-L1376 WeakPolarHBondContact O-CD1 3.28Å; T1372-L1376 WeakPolarHBondContact O-CG 3.42Å; T1372-L1376 PolarHBondContact O-N 2.84Å; D1373-L1376 PolarHBondContact O-N 2.75Å; L1376-V1378 PolarHBondContact O-N 3.35Å; L1376-L1379 PolarHBondContact O-N 3.04Å; L1376-L1380 WeakPolarHBondContact O-CB 3.26Å; L1376-L1380 WeakPolarHBondContact O-CD1 3.43Å; L1376-L1380 VanDerWaalsContact O-CG 3.24Å; L1376-L1380 WeakPolarHBondContact O-CG 3.32Å; L1376-L1380 PolarHBondContact O-N 3.38Å; L1376-L1393 HydrophobicContact CB-CD1 3.8Å; L1376-F1396 HydrophobicContact CD2-CD1 3.52Å; L1376-F1396 HydrophobicContact CD2-CE1 3.26Å; L1376-F1396 HydrophobicContact CD2-CZ 4.19Å |
| 1377 | E | 56.3 | Low | 49.2 | Very low | 105 Ų | 105 | 83.4 Ų | 83.4 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -25.1 | 173.7 | -78.5 | -168 | 167.7 | 0 | 0 | 113.9 | D1373 | D1373-E1377 PolarHBondContact O-N 2.76Å |
| 1378 | V | 50.3 | Low | 50.8 | Low | 103 Ų | 103 | 83.2 Ų | 83.2 | 62% | 0.624 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -85.6 | -32.8 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | S1374 L1375 L1376 | S1374-V1378 WeakPolarHBondContact O-CG2 3.5Å; S1374-V1378 PolarHBondContact O-N 2.81Å; L1375-V1378 PolarHBondContact O-N 2.97Å; L1376-V1378 PolarHBondContact O-N 3.35Å |
| 1379 | L | 48 | Very low | 52.3 | Low | 25 Ų | 25 | 77.3 Ų | 77.3 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -84.7 | -21 | -176.1 | -69.1 | 168 | 0 | 0 | 0 | 113.8 | F1359 L1375 L1376 Y1411 | F1359-L1379 HydrophobicContact CB-CD2 3.76Å; F1359-L1379 HydrophobicContact CD1-CD2 4.44Å; F1359-L1379 HydrophobicContact CG-CD2 4.03Å; L1375-L1379 HydrophobicContact CD2-CD1 4.14Å; L1375-L1379 HydrophobicContact CG-CD1 4.12Å; L1375-L1379 WeakPolarHBondContact O-CB 3.29Å; L1375-L1379 WeakPolarHBondContact O-CD1 3.39Å; L1375-L1379 WeakPolarHBondContact O-CG 3.09Å; L1375-L1379 PolarHBondContact O-N 2.82Å; L1375-L1379 VanDerWaalsContact O-N 3.09Å; L1376-L1379 PolarHBondContact O-N 3.04Å; L1379-Y1411 VanDerWaalsContact O-CE2 3.31Å; L1379-Y1411 WeakPolarHBondContact O-CE2 3.46Å; L1379-Y1411 PolarHBondContact O-OH 3.35Å |
| 1380 | L | 60.6 | Low | 53.8 | Low | 11 Ų | 11 | 73.2 Ų | 73.2 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -87.7 | 148.9 | -179.5 | -70.5 | 168.3 | 0 | 0 | 0 | 112.9 | L1376 G1382 L1393 F1396 Y1411 | L1376-L1380 WeakPolarHBondContact O-CB 3.26Å; L1376-L1380 WeakPolarHBondContact O-CD1 3.43Å; L1376-L1380 VanDerWaalsContact O-CG 3.24Å; L1376-L1380 WeakPolarHBondContact O-CG 3.32Å; L1376-L1380 PolarHBondContact O-N 3.38Å; L1380-G1382 PolarHBondContact O-N 2.81Å; L1380-L1393 VanDerWaalsContact CD1-CA 3.46Å; L1380-L1393 HydrophobicContact CD1-CB 3.86Å; L1380-L1393 HydrophobicContact CD1-CD1 3.46Å; L1380-L1393 VanDerWaalsContact CD1-CD1 3.46Å; L1380-L1393 HydrophobicContact CD1-CG 4.27Å; L1380-F1396 HydrophobicContact CD2-CB 3.93Å; L1380-F1396 HydrophobicContact CD2-CD2 4.29Å; L1380-F1396 HydrophobicContact CD2-CG 4.09Å; L1380-Y1411 HydrophobicContact CD2-CD2 4.28Å |
| 1381 | P | 57.5 | Low | 55.6 | Low | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.006 | 39% | 0.394 | C | S | . | . | trans | -56.7 | 131.8 | -179.2 | -12.4 | 18.9 | 0 | 0 | 0 | 112.3 | F1383 Q1414 M1415 H1418 | P1381-F1383 VanDerWaalsContact C-N 3.33Å; P1381-F1383 HydrophobicContact CB-CD2 4.37Å; P1381-F1383 HydrophobicContact CB-CE2 3.83Å; P1381-F1383 HydrophobicContact CB-CZ 4.09Å; P1381-F1383 HydrophobicContact CG-CE2 4.03Å; P1381-F1383 HydrophobicContact CG-CZ 4.24Å; P1381-F1383 WeakPolarHBondContact O-CD2 3.06Å; P1381-F1383 WeakPolarHBondContact O-CE2 3.21Å; P1381-F1383 PolarHBondContact O-N 2.89Å; P1381-Q1414 HydrophobicContact CG-CB 4.19Å; P1381-M1415 HydrophobicContact CG-CG 4.32Å; P1381-M1415 HydrophobicContact CG-SD 3.89Å; P1381-H1418 HydrophobicContact CB-CB 3.62Å; P1381-H1418 HydrophobicContact CG-CB 4.17Å | ||
| 1382 | G | 55.1 | Low | 56.8 | Low | 19 Ų | 19 | 70.9 Ų | 70.9 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | trans | -73.9 | 86 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1380 H1418 Y1473 | L1380-G1382 PolarHBondContact O-N 2.81Å; G1382-H1418 PolarHBondContact O-NE2 3.18Å; G1382-Y1473 WeakPolarHBondContact CA-OH 3.29Å; G1382-Y1473 PolarHBondContact N-OH 2.94Å | ||
| 1383 | F | 59.4 | Low | 58 | Low | 36 Ų | 36 | 67.9 Ų | 67.9 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | trans | -68.6 | 128 | 168.7 | -63.3 | -82.8 | 0 | 0 | 0 | 109.9 | P1381 M1385 Q1388 A1392 H1418 | P1381-F1383 VanDerWaalsContact C-N 3.33Å; P1381-F1383 HydrophobicContact CB-CD2 4.37Å; P1381-F1383 HydrophobicContact CB-CE2 3.83Å; P1381-F1383 HydrophobicContact CB-CZ 4.09Å; P1381-F1383 HydrophobicContact CG-CE2 4.03Å; P1381-F1383 HydrophobicContact CG-CZ 4.24Å; P1381-F1383 WeakPolarHBondContact O-CD2 3.06Å; P1381-F1383 WeakPolarHBondContact O-CE2 3.21Å; P1381-F1383 PolarHBondContact O-N 2.89Å; F1383-M1385 PolarHBondContact O-N 3.08Å; F1383-M1385 VanDerWaalsContact O-N 3.13Å; F1383-Q1388 HydrophobicContact CB-CB 3.46Å; F1383-Q1388 VanDerWaalsContact CB-CB 3.46Å; F1383-Q1388 HydrophobicContact CD1-CB 3.95Å; F1383-Q1388 HydrophobicContact CD2-CB 4.34Å; F1383-Q1388 HydrophobicContact CG-CB 3.66Å; F1383-A1392 HydrophobicContact CD2-CB 3.94Å; F1383-A1392 HydrophobicContact CE2-CB 3.46Å; F1383-A1392 VanDerWaalsContact CE2-CB 3.46Å; F1383-A1392 HydrophobicContact CZ-CB 4.43Å; F1383-H1418 HydrophobicContact CE1-CB 4.19Å; F1383-H1418 HydrophobicContact CZ-CB 4.29Å | ||
| 1384 | S | 52.4 | Low | 59.5 | Low | 65 Ų | 65 | 70 Ų | 70 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -56.3 | -28.1 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 113 | ||
| 1385 | M | 57.2 | Low | 60.8 | Low | 120 Ų | 120 | 69.1 Ų | 69.1 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -96.3 | 122.4 | 179.3 | -66.6 | -72.2 | -79.2 | 0 | 0 | 111.2 | F1383 H1387 Q1388 K1389 | F1383-M1385 PolarHBondContact O-N 3.08Å; F1383-M1385 VanDerWaalsContact O-N 3.13Å; M1385-H1387 PolarHBondContact O-N 2.78Å; M1385-H1387 VanDerWaalsContact O-N 3.08Å; M1385-Q1388 HydrophobicContact CB-CB 4.38Å; M1385-Q1388 HydrophobicContact CB-CG 4.17Å; M1385-Q1388 WeakPolarHBondContact O-CB 3.4Å; M1385-Q1388 PolarHBondContact O-N 3.45Å; M1385-K1389 PolarHBondContact O-N 2.87Å |
| 1386 | K | 55.2 | Low | 61.9 | Low | 183 Ų | 183 | 68.4 Ų | 68.4 | 80% | 0.796 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -48.8 | -38.9 | 178.9 | -145.2 | 178.4 | -172.5 | -179.2 | 0 | 113.7 | K1389 C1390 | K1386-K1389 PolarHBondContact O-N 3.41Å; K1386-C1390 PolarHBondContact O-N 2.85Å; K1386-C1390 VanDerWaalsContact O-N 3.15Å; K1386-C1390 PolarHBondContact O-SG 3.24Å; K1386-C1390 VanDerWaalsContact O-SG 3.41Å |
| 1387 | H | 66.9 | Low | 62.4 | Low | 141 Ų | 141 | 70 Ų | 70 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.7 | -44.7 | 174.7 | 157.6 | -72 | 0 | 0 | 0 | 112.9 | M1385 C1390 Y1391 | M1385-H1387 PolarHBondContact O-N 2.78Å; M1385-H1387 VanDerWaalsContact O-N 3.08Å; H1387-C1390 PolarHBondContact O-N 3.44Å; H1387-Y1391 WeakPolarHBondContact O-CB 3.48Å; H1387-Y1391 PolarHBondContact O-N 3.28Å |
| 1388 | Q | 64.9 | Low | 63.2 | Low | 81 Ų | 81 | 68.8 Ų | 68.8 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.2 | -35.5 | -177.5 | -72.6 | 176.1 | -26.5 | 0 | 0 | 111 | F1383 M1385 Y1391 A1392 | F1383-Q1388 HydrophobicContact CB-CB 3.46Å; F1383-Q1388 VanDerWaalsContact CB-CB 3.46Å; F1383-Q1388 HydrophobicContact CD1-CB 3.95Å; F1383-Q1388 HydrophobicContact CD2-CB 4.34Å; F1383-Q1388 HydrophobicContact CG-CB 3.66Å; M1385-Q1388 HydrophobicContact CB-CB 4.38Å; M1385-Q1388 HydrophobicContact CB-CG 4.17Å; M1385-Q1388 WeakPolarHBondContact O-CB 3.4Å; M1385-Q1388 PolarHBondContact O-N 3.45Å; Q1388-Y1391 PolarHBondContact O-N 3.2Å; Q1388-A1392 WeakPolarHBondContact O-CB 3.39Å; Q1388-A1392 PolarHBondContact O-N 3.06Å |
| 1389 | K | 62.1 | Low | 64 | Low | 79 Ų | 79 | 64.1 Ų | 64.1 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 173 | -163.4 | 176.8 | -176.1 | 179.7 | 0 | 111.9 | M1385 K1386 A1392 L1393 | M1385-K1389 PolarHBondContact O-N 2.87Å; K1386-K1389 PolarHBondContact O-N 3.41Å; K1389-A1392 PolarHBondContact O-N 2.77Å; K1389-L1393 WeakPolarHBondContact O-CB 3.24Å; K1389-L1393 PolarHBondContact O-N 2.76Å |
| 1390 | C | 65.6 | Low | 64.3 | Low | 82 Ų | 82 | 65.8 Ų | 65.8 | 55% | 0.554 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 174.9 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | K1386 H1387 L1393 Q1394 | K1386-C1390 PolarHBondContact O-N 2.85Å; K1386-C1390 VanDerWaalsContact O-N 3.15Å; K1386-C1390 PolarHBondContact O-SG 3.24Å; K1386-C1390 VanDerWaalsContact O-SG 3.41Å; H1387-C1390 PolarHBondContact O-N 3.44Å; C1390-L1393 PolarHBondContact O-N 3.17Å; C1390-Q1394 WeakPolarHBondContact O-CB 3.44Å; C1390-Q1394 PolarHBondContact O-N 3.47Å |
| 1391 | Y | 75.1 | Confident | 64 | Low | 162 Ų | 162 | 68.4 Ų | 68.4 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 177.9 | -177.7 | -95.6 | 0 | 0 | 0 | 112.2 | H1387 Q1388 Q1394 S1395 | H1387-Y1391 WeakPolarHBondContact O-CB 3.48Å; H1387-Y1391 PolarHBondContact O-N 3.28Å; Q1388-Y1391 PolarHBondContact O-N 3.2Å; Y1391-Q1394 PolarHBondContact O-N 3.34Å; Y1391-S1395 VanDerWaalsContact O-CB 3.25Å; Y1391-S1395 WeakPolarHBondContact O-CB 3.4Å; Y1391-S1395 PolarHBondContact O-N 2.83Å |
| 1392 | A | 68.5 | Low | 64.2 | Low | 3 Ų | 3 | 71.1 Ų | 71.1 | 3% | 0.025 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1383 Q1388 K1389 Q1394 S1395 F1396 Q1414 | F1383-A1392 HydrophobicContact CD2-CB 3.94Å; F1383-A1392 HydrophobicContact CE2-CB 3.46Å; F1383-A1392 VanDerWaalsContact CE2-CB 3.46Å; F1383-A1392 HydrophobicContact CZ-CB 4.43Å; Q1388-A1392 WeakPolarHBondContact O-CB 3.39Å; Q1388-A1392 PolarHBondContact O-N 3.06Å; K1389-A1392 PolarHBondContact O-N 2.77Å; A1392-Q1394 PolarHBondContact O-N 2.78Å; A1392-S1395 PolarHBondContact O-N 3.43Å; A1392-F1396 WeakPolarHBondContact O-CB 3.46Å; A1392-F1396 PolarHBondContact O-N 2.94Å; A1392-Q1414 VanDerWaalsContact CA-NE2 3.33Å; A1392-Q1414 HydrophobicContact CB-CG 4.44Å; A1392-Q1414 PolarHBondContact O-NE2 3.41Å; A1392-Q1414 PolarHBondContact O-OE1 2.85Å |
| 1393 | L | 69.3 | Low | 64.4 | Low | 30 Ų | 30 | 72.2 Ų | 72.2 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.2 | -176.5 | 67.1 | 0 | 0 | 0 | 112.1 | L1376 L1380 K1389 C1390 F1396 K1397 | L1376-L1393 HydrophobicContact CB-CD1 3.8Å; L1380-L1393 VanDerWaalsContact CD1-CA 3.46Å; L1380-L1393 HydrophobicContact CD1-CB 3.86Å; L1380-L1393 HydrophobicContact CD1-CD1 3.46Å; L1380-L1393 VanDerWaalsContact CD1-CD1 3.46Å; L1380-L1393 HydrophobicContact CD1-CG 4.27Å; K1389-L1393 WeakPolarHBondContact O-CB 3.24Å; K1389-L1393 PolarHBondContact O-N 2.76Å; C1390-L1393 PolarHBondContact O-N 3.17Å; L1393-F1396 PolarHBondContact O-N 3.22Å; L1393-K1397 HydrophobicContact CD1-CD 4.48Å; L1393-K1397 HydrophobicContact CG-CD 4.26Å; L1393-K1397 WeakPolarHBondContact O-CB 3.16Å; L1393-K1397 VanDerWaalsContact O-CG 3.27Å; L1393-K1397 WeakPolarHBondContact O-CG 3.23Å; L1393-K1397 PolarHBondContact O-N 3.25Å |
| 1394 | Q | 73.8 | Confident | 64 | Low | 106 Ų | 106 | 77.8 Ų | 77.8 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 178.5 | -169.8 | 62.5 | 39.3 | 0 | 0 | 111.3 | C1390 Y1391 A1392 F1396 K1397 D1398 | C1390-Q1394 WeakPolarHBondContact O-CB 3.44Å; C1390-Q1394 PolarHBondContact O-N 3.47Å; Y1391-Q1394 PolarHBondContact O-N 3.34Å; A1392-Q1394 PolarHBondContact O-N 2.78Å; Q1394-F1396 VanDerWaalsContact C-N 3.33Å; Q1394-F1396 PolarHBondContact O-N 3.12Å; Q1394-K1397 WeakPolarHBondContact O-CB 3.31Å; Q1394-K1397 PolarHBondContact O-N 3.25Å; Q1394-K1397 VanDerWaalsContact O-N 3.16Å; Q1394-D1398 PolarHBondContact NE2-OD1 3.16Å; Q1394-D1398 WeakPolarHBondContact O-CB 3.16Å; Q1394-D1398 PolarHBondContact O-N 2.78Å |
| 1395 | S | 76.3 | Confident | 64.4 | Low | 30 Ų | 30 | 81.7 Ų | 81.7 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | Y1391 A1392 A1399 V1410 | Y1391-S1395 VanDerWaalsContact O-CB 3.25Å; Y1391-S1395 WeakPolarHBondContact O-CB 3.4Å; Y1391-S1395 PolarHBondContact O-N 2.83Å; A1392-S1395 PolarHBondContact O-N 3.43Å; S1395-A1399 VanDerWaalsContact O-CB 3.29Å; S1395-A1399 WeakPolarHBondContact O-CB 3.45Å; S1395-A1399 PolarHBondContact O-N 3.32Å; S1395-V1410 VanDerWaalsContact OG-CG1 3.28Å; S1395-V1410 WeakPolarHBondContact OG-CG1 3.42Å |
| 1396 | F | 71.8 | Confident | 65 | Low | 20 Ų | 20 | 83.6 Ų | 83.6 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 174.3 | -179.1 | -87.1 | 0 | 0 | 0 | 111.9 | L1376 L1380 A1392 L1393 Q1394 A1399 S1400 A1407 V1410 Y1411 | L1376-F1396 HydrophobicContact CD2-CD1 3.52Å; L1376-F1396 HydrophobicContact CD2-CE1 3.26Å; L1376-F1396 HydrophobicContact CD2-CZ 4.19Å; L1380-F1396 HydrophobicContact CD2-CB 3.93Å; L1380-F1396 HydrophobicContact CD2-CD2 4.29Å; L1380-F1396 HydrophobicContact CD2-CG 4.09Å; A1392-F1396 WeakPolarHBondContact O-CB 3.46Å; A1392-F1396 PolarHBondContact O-N 2.94Å; L1393-F1396 PolarHBondContact O-N 3.22Å; Q1394-F1396 VanDerWaalsContact C-N 3.33Å; Q1394-F1396 PolarHBondContact O-N 3.12Å; F1396-A1399 PolarHBondContact O-N 3.21Å; F1396-S1400 WeakPolarHBondContact CE1-OG 3.27Å; F1396-S1400 WeakPolarHBondContact O-CB 3.41Å; F1396-S1400 PolarHBondContact O-N 3.12Å; F1396-S1400 PolarHBondContact O-OG 2.87Å; F1396-A1407 HydrophobicContact CE2-CB 4.4Å; F1396-A1407 HydrophobicContact CZ-CB 4.5Å; F1396-V1410 HydrophobicContact CB-CG1 4.48Å; F1396-Y1411 HydrophobicContact CD2-CD2 4.26Å; F1396-Y1411 HydrophobicContact CE2-CD2 4.15Å; F1396-Y1411 HydrophobicContact CE2-CG 4.3Å |
| 1397 | K | 64.7 | Low | 65.4 | Low | 68 Ų | 68 | 75.4 Ų | 75.4 | 30% | 0.296 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 174.6 | -77.2 | 178.4 | 173.6 | -171.4 | 0 | 111.6 | D1373 L1393 Q1394 A1399 S1400 S1401 | D1373-K1397 VanDerWaalsContact OD1-CE 3.28Å; D1373-K1397 WeakPolarHBondContact OD1-CE 3.47Å; D1373-K1397 IonicContact OD1-NZ 2.68Å; D1373-K1397 PolarHBondContact OD1-NZ 3Å; L1393-K1397 HydrophobicContact CD1-CD 4.48Å; L1393-K1397 HydrophobicContact CG-CD 4.26Å; L1393-K1397 WeakPolarHBondContact O-CB 3.16Å; L1393-K1397 VanDerWaalsContact O-CG 3.27Å; L1393-K1397 WeakPolarHBondContact O-CG 3.23Å; L1393-K1397 PolarHBondContact O-N 3.25Å; Q1394-K1397 WeakPolarHBondContact O-CB 3.31Å; Q1394-K1397 PolarHBondContact O-N 3.25Å; Q1394-K1397 VanDerWaalsContact O-N 3.16Å; K1397-A1399 PolarHBondContact O-N 3.21Å; K1397-S1400 WeakPolarHBondContact O-CB 3.44Å; K1397-S1400 PolarHBondContact O-N 3.46Å; K1397-S1401 PolarHBondContact O-N 3.16Å; K1397-S1401 VanDerWaalsContact O-N 3.14Å; K1397-S1401 PolarHBondContact O-OG 3.3Å |
| 1398 | D | 71.5 | Confident | 65.2 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 43% | 0.428 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 176.4 | -60.8 | -16.7 | 0 | 0 | 0 | 111.6 | Q1394 S1401 | Q1394-D1398 PolarHBondContact NE2-OD1 3.16Å; Q1394-D1398 WeakPolarHBondContact O-CB 3.16Å; Q1394-D1398 PolarHBondContact O-N 2.78Å; D1398-S1401 VanDerWaalsContact C-OG 3.29Å; D1398-S1401 WeakPolarHBondContact CA-OG 3.41Å; D1398-S1401 PolarHBondContact O-OG 3.38Å |
| 1399 | A | 68 | Low | 65.5 | Low | 5 Ų | 5 | 71.2 Ų | 71.2 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -74.8 | -36.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1395 F1396 K1397 S1401 S1402 S1403 R1406 A1407 V1410 | S1395-A1399 VanDerWaalsContact O-CB 3.29Å; S1395-A1399 WeakPolarHBondContact O-CB 3.45Å; S1395-A1399 PolarHBondContact O-N 3.32Å; F1396-A1399 PolarHBondContact O-N 3.21Å; K1397-A1399 PolarHBondContact O-N 3.21Å; A1399-S1401 VanDerWaalsContact C-N 3.3Å; A1399-S1401 PolarHBondContact O-N 3.27Å; A1399-S1402 PolarHBondContact O-N 2.64Å; A1399-S1402 VanDerWaalsContact O-N 3.12Å; A1399-S1402 PolarHBondContact O-OG 2.98Å; A1399-S1403 PolarHBondContact O-N 2.85Å; A1399-R1406 HydrophobicContact CB-CG 4.13Å; A1399-A1407 PolarHBondContact O-N 3.47Å; A1399-V1410 HydrophobicContact CB-CB 3.66Å; A1399-V1410 HydrophobicContact CB-CG1 4.23Å; A1399-V1410 HydrophobicContact CB-CG2 3.47Å; A1399-V1410 VanDerWaalsContact CB-CG2 3.47Å |
| 1400 | S | 55.3 | Low | 66.3 | Low | 59 Ų | 59 | 68.7 Ų | 68.7 | 41% | 0.413 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.7 | -31.4 | 176 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | F1396 K1397 S1402 | F1396-S1400 WeakPolarHBondContact CE1-OG 3.27Å; F1396-S1400 WeakPolarHBondContact O-CB 3.41Å; F1396-S1400 PolarHBondContact O-N 3.12Å; F1396-S1400 PolarHBondContact O-OG 2.87Å; K1397-S1400 WeakPolarHBondContact O-CB 3.44Å; K1397-S1400 PolarHBondContact O-N 3.46Å; S1400-S1402 VanDerWaalsContact C-N 3.27Å; S1400-S1402 PolarHBondContact O-N 2.69Å |
| 1401 | S | 52.9 | Low | 66.3 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.9 | 173.3 | 40.9 | 0 | 0 | 0 | 0 | 114.7 | K1397 D1398 A1399 | K1397-S1401 PolarHBondContact O-N 3.16Å; K1397-S1401 VanDerWaalsContact O-N 3.14Å; K1397-S1401 PolarHBondContact O-OG 3.3Å; D1398-S1401 VanDerWaalsContact C-OG 3.29Å; D1398-S1401 WeakPolarHBondContact CA-OG 3.41Å; D1398-S1401 PolarHBondContact O-OG 3.38Å; A1399-S1401 VanDerWaalsContact C-N 3.3Å; A1399-S1401 PolarHBondContact O-N 3.27Å |
| 1402 | S | 62.5 | Low | 65.9 | Low | 57 Ų | 57 | 64 Ų | 64 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -53.9 | -173.8 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | A1399 S1400 R1406 | A1399-S1402 PolarHBondContact O-N 2.64Å; A1399-S1402 VanDerWaalsContact O-N 3.12Å; A1399-S1402 PolarHBondContact O-OG 2.98Å; S1400-S1402 VanDerWaalsContact C-N 3.27Å; S1400-S1402 PolarHBondContact O-N 2.69Å; S1402-R1406 VanDerWaalsContact OG-CB 3.27Å; S1402-R1406 WeakPolarHBondContact OG-CB 3.26Å; S1402-R1406 WeakPolarHBondContact OG-CD 3.3Å; S1402-R1406 VanDerWaalsContact OG-CG 3.27Å; S1402-R1406 WeakPolarHBondContact OG-CG 3.49Å |
| 1403 | S | 58.6 | Low | 66.1 | Low | 42 Ų | 42 | 68.2 Ų | 68.2 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | trans | -163.1 | 157.5 | 170.1 | 79.4 | 0 | 0 | 0 | 0 | 110.9 | A1399 E1405 R1406 A1407 | A1399-S1403 PolarHBondContact O-N 2.85Å; S1403-E1405 PolarHBondContact O-N 3.35Å; S1403-E1405 PolarHBondContact OG-N 2.74Å; S1403-R1406 PolarHBondContact O-N 3.22Å; S1403-R1406 VanDerWaalsContact O-N 3.09Å; S1403-R1406 WeakPolarHBondContact OG-CB 3.43Å; S1403-R1406 PolarHBondContact OG-N 3.24Å; S1403-A1407 PolarHBondContact O-N 3.14Å | ||
| 1404 | Y | 51.5 | Low | 66.4 | Low | 153 Ų | 153 | 67.4 Ų | 67.4 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -49.9 | -44.5 | 169.5 | 163.7 | -103.2 | 0 | 0 | 0 | 111.9 | R1406 A1407 L1408 | Y1404-R1406 VanDerWaalsContact C-N 3.31Å; Y1404-R1406 PolarHBondContact O-N 3.33Å; Y1404-A1407 PolarHBondContact O-N 3.23Å; Y1404-L1408 WeakPolarHBondContact O-CB 3.19Å; Y1404-L1408 PolarHBondContact O-N 2.89Å |
| 1405 | E | 60 | Low | 65.7 | Low | 147 Ų | 147 | 65 Ų | 65 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | -178.8 | -64.1 | 148.1 | 163.8 | 0 | 0 | 111.6 | S1403 S1409 | S1403-E1405 PolarHBondContact O-N 3.35Å; S1403-E1405 PolarHBondContact OG-N 2.74Å; E1405-S1409 WeakPolarHBondContact O-CB 3.32Å; E1405-S1409 PolarHBondContact O-N 3.32Å |
| 1406 | R | 70.2 | Confident | 65.3 | Low | 160 Ų | 160 | 69.1 Ų | 69.1 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -74.5 | -42.1 | -179.9 | -163.1 | 136.4 | 179.8 | 149 | -2.5 | 111.7 | A1399 S1402 S1403 Y1404 L1408 S1409 V1410 | A1399-R1406 HydrophobicContact CB-CG 4.13Å; S1402-R1406 VanDerWaalsContact OG-CB 3.27Å; S1402-R1406 WeakPolarHBondContact OG-CB 3.26Å; S1402-R1406 WeakPolarHBondContact OG-CD 3.3Å; S1402-R1406 VanDerWaalsContact OG-CG 3.27Å; S1402-R1406 WeakPolarHBondContact OG-CG 3.49Å; S1403-R1406 PolarHBondContact O-N 3.22Å; S1403-R1406 VanDerWaalsContact O-N 3.09Å; S1403-R1406 WeakPolarHBondContact OG-CB 3.43Å; S1403-R1406 PolarHBondContact OG-N 3.24Å; Y1404-R1406 VanDerWaalsContact C-N 3.31Å; Y1404-R1406 PolarHBondContact O-N 3.33Å; R1406-L1408 VanDerWaalsContact C-N 3.33Å; R1406-L1408 PolarHBondContact O-N 2.95Å; R1406-S1409 WeakPolarHBondContact O-CB 3.12Å; R1406-S1409 PolarHBondContact O-N 3.07Å; R1406-V1410 WeakPolarHBondContact O-CG2 3.34Å; R1406-V1410 PolarHBondContact O-N 2.78Å |
| 1407 | A | 64.5 | Low | 65.2 | Low | 12 Ų | 12 | 71.9 Ų | 71.9 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1396 A1399 S1403 Y1404 S1409 V1410 Y1411 | F1396-A1407 HydrophobicContact CE2-CB 4.4Å; F1396-A1407 HydrophobicContact CZ-CB 4.5Å; A1399-A1407 PolarHBondContact O-N 3.47Å; S1403-A1407 PolarHBondContact O-N 3.14Å; Y1404-A1407 PolarHBondContact O-N 3.23Å; A1407-S1409 VanDerWaalsContact C-N 3.34Å; A1407-S1409 PolarHBondContact O-N 3.5Å; A1407-V1410 PolarHBondContact O-N 2.9Å; A1407-Y1411 WeakPolarHBondContact O-CB 3.29Å; A1407-Y1411 PolarHBondContact O-N 3.22Å |
| 1408 | L | 62.8 | Low | 65.3 | Low | 62 Ų | 62 | 69.2 Ų | 69.2 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.1 | -164.7 | 75.9 | 0 | 0 | 0 | 111.7 | Y1404 R1406 K1412 | Y1404-L1408 WeakPolarHBondContact O-CB 3.19Å; Y1404-L1408 PolarHBondContact O-N 2.89Å; R1406-L1408 VanDerWaalsContact C-N 3.33Å; R1406-L1408 PolarHBondContact O-N 2.95Å; L1408-K1412 HydrophobicContact CG-CD 4.44Å; L1408-K1412 WeakPolarHBondContact O-CB 3.35Å; L1408-K1412 WeakPolarHBondContact O-CG 3.48Å; L1408-K1412 PolarHBondContact O-N 2.95Å |
| 1409 | S | 71.6 | Confident | 64.5 | Low | 71 Ų | 71 | 67.3 Ų | 67.3 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | E1405 R1406 A1407 K1412 Q1413 | E1405-S1409 WeakPolarHBondContact O-CB 3.32Å; E1405-S1409 PolarHBondContact O-N 3.32Å; R1406-S1409 WeakPolarHBondContact O-CB 3.12Å; R1406-S1409 PolarHBondContact O-N 3.07Å; A1407-S1409 VanDerWaalsContact C-N 3.34Å; A1407-S1409 PolarHBondContact O-N 3.5Å; S1409-K1412 PolarHBondContact O-N 3.22Å; S1409-Q1413 WeakPolarHBondContact O-CB 3.48Å; S1409-Q1413 PolarHBondContact O-N 3.12Å |
| 1410 | V | 77 | Confident | 64.4 | Low | 27 Ų | 27 | 71.1 Ų | 71.1 | 16% | 0.164 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 178.6 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | S1395 F1396 A1399 R1406 A1407 Q1413 Q1414 | S1395-V1410 VanDerWaalsContact OG-CG1 3.28Å; S1395-V1410 WeakPolarHBondContact OG-CG1 3.42Å; F1396-V1410 HydrophobicContact CB-CG1 4.48Å; A1399-V1410 HydrophobicContact CB-CB 3.66Å; A1399-V1410 HydrophobicContact CB-CG1 4.23Å; A1399-V1410 HydrophobicContact CB-CG2 3.47Å; A1399-V1410 VanDerWaalsContact CB-CG2 3.47Å; R1406-V1410 WeakPolarHBondContact O-CG2 3.34Å; R1406-V1410 PolarHBondContact O-N 2.78Å; A1407-V1410 PolarHBondContact O-N 2.9Å; V1410-Q1413 PolarHBondContact O-N 2.9Å; V1410-Q1414 HydrophobicContact CG1-CG 4.28Å; V1410-Q1414 VanDerWaalsContact CG1-NE2 3.29Å; V1410-Q1414 WeakPolarHBondContact O-CB 3.39Å; V1410-Q1414 VanDerWaalsContact O-CG 3.27Å; V1410-Q1414 WeakPolarHBondContact O-CG 3.22Å; V1410-Q1414 PolarHBondContact O-N 3.36Å |
| 1411 | Y | 67.4 | Low | 65 | Low | 31 Ų | 31 | 73.5 Ų | 73.5 | 12% | 0.122 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 172.8 | -178.1 | -101.5 | 0 | 0 | 0 | 112.5 | F1359 L1379 L1380 F1396 A1407 Q1413 Q1414 M1415 | F1359-Y1411 HydrophobicContact CZ-CE1 4.17Å; L1379-Y1411 VanDerWaalsContact O-CE2 3.31Å; L1379-Y1411 WeakPolarHBondContact O-CE2 3.46Å; L1379-Y1411 PolarHBondContact O-OH 3.35Å; L1380-Y1411 HydrophobicContact CD2-CD2 4.28Å; F1396-Y1411 HydrophobicContact CD2-CD2 4.26Å; F1396-Y1411 HydrophobicContact CE2-CD2 4.15Å; F1396-Y1411 HydrophobicContact CE2-CG 4.3Å; A1407-Y1411 WeakPolarHBondContact O-CB 3.29Å; A1407-Y1411 PolarHBondContact O-N 3.22Å; Y1411-Q1413 VanDerWaalsContact C-N 3.29Å; Y1411-Q1413 PolarHBondContact O-N 2.9Å; Y1411-Q1414 PolarHBondContact O-N 3.02Å; Y1411-M1415 HydrophobicContact CD1-CG 4.39Å; Y1411-M1415 HydrophobicContact CE1-CG 3.96Å; Y1411-M1415 HydrophobicContact CE2-CG 4.34Å; Y1411-M1415 WeakPolarHBondContact O-CG 3.47Å; Y1411-M1415 PolarHBondContact O-N 2.6Å |
| 1412 | K | 64.9 | Low | 65.3 | Low | 113 Ų | 113 | 70.6 Ų | 70.6 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 176.5 | -77.8 | 173.7 | 177.5 | -178.6 | 0 | 111.8 | L1408 S1409 K1416 | L1408-K1412 HydrophobicContact CG-CD 4.44Å; L1408-K1412 WeakPolarHBondContact O-CB 3.35Å; L1408-K1412 WeakPolarHBondContact O-CG 3.48Å; L1408-K1412 PolarHBondContact O-N 2.95Å; S1409-K1412 PolarHBondContact O-N 3.22Å; K1412-K1416 WeakPolarHBondContact O-CB 3.23Å; K1412-K1416 PolarHBondContact O-N 3.31Å |
| 1413 | Q | 74.3 | Confident | 64.9 | Low | 92 Ų | 92 | 69.5 Ų | 69.5 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.8 | -172.7 | 60.4 | 46.1 | 0 | 0 | 111.8 | S1409 V1410 Y1411 M1415 K1416 D1417 | S1409-Q1413 WeakPolarHBondContact O-CB 3.48Å; S1409-Q1413 PolarHBondContact O-N 3.12Å; V1410-Q1413 PolarHBondContact O-N 2.9Å; Y1411-Q1413 VanDerWaalsContact C-N 3.29Å; Y1411-Q1413 PolarHBondContact O-N 2.9Å; Q1413-M1415 PolarHBondContact O-N 3.31Å; Q1413-K1416 WeakPolarHBondContact O-CB 3.11Å; Q1413-K1416 PolarHBondContact O-N 3.1Å; Q1413-D1417 PolarHBondContact NE2-OD1 3.49Å; Q1413-D1417 VanDerWaalsContact O-CG 3.24Å; Q1413-D1417 PolarHBondContact O-N 3.02Å |
| 1414 | Q | 74.1 | Confident | 65.3 | Low | 13 Ų | 13 | 70.7 Ų | 70.7 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.7 | -71.2 | 172.8 | 0.3 | 0 | 0 | 112.6 | P1381 A1392 V1410 Y1411 K1416 D1417 H1418 | P1381-Q1414 HydrophobicContact CG-CB 4.19Å; A1392-Q1414 VanDerWaalsContact CA-NE2 3.33Å; A1392-Q1414 HydrophobicContact CB-CG 4.44Å; A1392-Q1414 PolarHBondContact O-NE2 3.41Å; A1392-Q1414 PolarHBondContact O-OE1 2.85Å; V1410-Q1414 HydrophobicContact CG1-CG 4.28Å; V1410-Q1414 VanDerWaalsContact CG1-NE2 3.29Å; V1410-Q1414 WeakPolarHBondContact O-CB 3.39Å; V1410-Q1414 VanDerWaalsContact O-CG 3.27Å; V1410-Q1414 WeakPolarHBondContact O-CG 3.22Å; V1410-Q1414 PolarHBondContact O-N 3.36Å; Y1411-Q1414 PolarHBondContact O-N 3.02Å; Q1414-K1416 VanDerWaalsContact C-N 3.35Å; Q1414-D1417 PolarHBondContact O-N 2.85Å; Q1414-H1418 WeakPolarHBondContact O-CB 3.49Å; Q1414-H1418 PolarHBondContact O-N 2.99Å; Q1414-H1418 VanDerWaalsContact O-N 3.08Å |
| 1415 | M | 60.5 | Low | 65.8 | Low | 56 Ų | 56 | 64.6 Ų | 64.6 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 172.2 | -77 | -69.5 | -73.5 | 0 | 0 | 111.8 | P1381 Y1411 Q1413 F1419 | P1381-M1415 HydrophobicContact CG-CG 4.32Å; P1381-M1415 HydrophobicContact CG-SD 3.89Å; Y1411-M1415 HydrophobicContact CD1-CG 4.39Å; Y1411-M1415 HydrophobicContact CE1-CG 3.96Å; Y1411-M1415 HydrophobicContact CE2-CG 4.34Å; Y1411-M1415 WeakPolarHBondContact O-CG 3.47Å; Y1411-M1415 PolarHBondContact O-N 2.6Å; Q1413-M1415 PolarHBondContact O-N 3.31Å; M1415-F1419 WeakPolarHBondContact O-CB 3.47Å; M1415-F1419 PolarHBondContact O-N 2.98Å |
| 1416 | K | 66.7 | Low | 65.7 | Low | 117 Ų | 117 | 57.7 Ų | 57.7 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 175.7 | -176.8 | -177.7 | 175.3 | -175.8 | 0 | 112 | K1412 Q1413 Q1414 H1418 F1419 D1420 | K1412-K1416 WeakPolarHBondContact O-CB 3.23Å; K1412-K1416 PolarHBondContact O-N 3.31Å; Q1413-K1416 WeakPolarHBondContact O-CB 3.11Å; Q1413-K1416 PolarHBondContact O-N 3.1Å; Q1414-K1416 VanDerWaalsContact C-N 3.35Å; K1416-H1418 VanDerWaalsContact C-N 3.31Å; K1416-H1418 PolarHBondContact O-N 2.81Å; K1416-F1419 WeakPolarHBondContact O-CB 3.1Å; K1416-F1419 PolarHBondContact O-N 2.83Å; K1416-D1420 PolarHBondContact O-N 3.46Å |
| 1417 | D | 70.7 | Confident | 65.4 | Low | 77 Ų | 77 | 56 Ų | 56 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | -179.8 | -64.3 | -17.7 | 0 | 0 | 0 | 111.7 | Q1413 Q1414 Y1421 | Q1413-D1417 PolarHBondContact NE2-OD1 3.49Å; Q1413-D1417 VanDerWaalsContact O-CG 3.24Å; Q1413-D1417 PolarHBondContact O-N 3.02Å; Q1414-D1417 PolarHBondContact O-N 2.85Å; D1417-Y1421 PolarHBondContact O-N 2.88Å; D1417-Y1421 VanDerWaalsContact O-N 3.17Å |
| 1418 | H | 65.7 | Low | 65.3 | Low | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.06 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 174 | -170.9 | -104.8 | 0 | 0 | 0 | 111.7 | P1381 G1382 F1383 Q1414 K1416 Y1421 L1422 Y1473 | P1381-H1418 HydrophobicContact CB-CB 3.62Å; P1381-H1418 HydrophobicContact CG-CB 4.17Å; G1382-H1418 PolarHBondContact O-NE2 3.18Å; F1383-H1418 HydrophobicContact CE1-CB 4.19Å; F1383-H1418 HydrophobicContact CZ-CB 4.29Å; Q1414-H1418 WeakPolarHBondContact O-CB 3.49Å; Q1414-H1418 PolarHBondContact O-N 2.99Å; Q1414-H1418 VanDerWaalsContact O-N 3.08Å; K1416-H1418 VanDerWaalsContact C-N 3.31Å; K1416-H1418 PolarHBondContact O-N 2.81Å; H1418-Y1421 WeakPolarHBondContact O-CB 3.21Å; H1418-Y1421 PolarHBondContact O-N 2.76Å; H1418-L1422 VanDerWaalsContact O-CG 3.32Å; H1418-L1422 WeakPolarHBondContact O-CG 3.4Å; H1418-L1422 PolarHBondContact O-N 3.14Å; H1418-Y1473 AromaticContact CE1-CE1 3.97Å |
| 1419 | F | 55.1 | Low | 65.1 | Low | 40 Ų | 40 | 56.3 Ų | 56.3 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 174.9 | -176.6 | -96.6 | 0 | 0 | 0 | 112.8 | M1415 K1416 Y1421 L1422 S1423 T1475 W1478 L1479 | M1415-F1419 WeakPolarHBondContact O-CB 3.47Å; M1415-F1419 PolarHBondContact O-N 2.98Å; K1416-F1419 WeakPolarHBondContact O-CB 3.1Å; K1416-F1419 PolarHBondContact O-N 2.83Å; F1419-Y1421 VanDerWaalsContact C-N 3.29Å; F1419-Y1421 PolarHBondContact O-N 2.81Å; F1419-L1422 PolarHBondContact O-N 2.6Å; F1419-S1423 WeakPolarHBondContact O-CB 3.41Å; F1419-S1423 PolarHBondContact O-N 2.73Å; F1419-T1475 HydrophobicContact CD2-CG2 3.72Å; F1419-T1475 HydrophobicContact CE2-CG2 4.21Å; F1419-W1478 HydrophobicContact CD1-CZ3 4.48Å; F1419-W1478 HydrophobicContact CD2-CE3 4.09Å; F1419-W1478 AromaticContact CD2-CZ3 3.7Å; F1419-W1478 HydrophobicContact CD2-CZ3 3.7Å; F1419-W1478 HydrophobicContact CE1-CH2 4.21Å; F1419-W1478 AromaticContact CE1-CZ3 3.87Å; F1419-W1478 HydrophobicContact CE1-CZ3 3.87Å; F1419-W1478 AromaticContact CE2-CE3 3.24Å; F1419-W1478 HydrophobicContact CE2-CE3 3.24Å; F1419-W1478 AromaticContact CE2-CH2 3.99Å; F1419-W1478 HydrophobicContact CE2-CH2 3.99Å; F1419-W1478 AromaticContact CE2-CZ3 2.94Å; F1419-W1478 HydrophobicContact CE2-CZ3 2.94Å; F1419-W1478 HydrophobicContact CG-CZ3 4.41Å; F1419-W1478 AromaticContact CZ-CE3 3.71Å; F1419-W1478 HydrophobicContact CZ-CE3 3.71Å; F1419-W1478 AromaticContact CZ-CH2 3.62Å; F1419-W1478 HydrophobicContact CZ-CH2 3.62Å; F1419-W1478 AromaticContact CZ-CZ3 3.04Å; F1419-W1478 HydrophobicContact CZ-CZ3 3.04Å; F1419-L1479 HydrophobicContact CD2-CD1 3.61Å; F1419-L1479 HydrophobicContact CD2-CG 4.3Å; F1419-L1479 HydrophobicContact CE2-CD1 3.16Å; F1419-L1479 HydrophobicContact CE2-CD2 4.07Å; F1419-L1479 HydrophobicContact CE2-CG 3.37Å; F1419-L1479 HydrophobicContact CZ-CD1 3.88Å; F1419-L1479 HydrophobicContact CZ-CD2 3.94Å; F1419-L1479 HydrophobicContact CZ-CG 3.72Å |
| 1420 | D | 65.8 | Low | 64.3 | Low | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 179 | -72.5 | -19.5 | 0 | 0 | 0 | 111.3 | K1416 S1424 | K1416-D1420 PolarHBondContact O-N 3.46Å; D1420-S1424 WeakPolarHBondContact O-CB 3.22Å; D1420-S1424 PolarHBondContact O-N 2.86Å |
| 1421 | Y | 68.2 | Low | 63.5 | Low | 109 Ų | 109 | 60.6 Ų | 60.6 | 43% | 0.427 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 173.9 | 173.2 | -100.2 | 0 | 0 | 0 | 112.6 | D1417 H1418 F1419 S1424 T1425 | D1417-Y1421 PolarHBondContact O-N 2.88Å; D1417-Y1421 VanDerWaalsContact O-N 3.17Å; H1418-Y1421 WeakPolarHBondContact O-CB 3.21Å; H1418-Y1421 PolarHBondContact O-N 2.76Å; F1419-Y1421 VanDerWaalsContact C-N 3.29Å; F1419-Y1421 PolarHBondContact O-N 2.81Å; Y1421-S1424 PolarHBondContact O-N 3.32Å; Y1421-T1425 WeakPolarHBondContact O-CB 3.36Å; Y1421-T1425 PolarHBondContact O-N 3.25Å; Y1421-T1425 PolarHBondContact O-OG1 3.25Å |
| 1422 | L | 59.4 | Low | 63.2 | Low | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 178 | -67.5 | 174.3 | 0 | 0 | 0 | 112.1 | H1418 F1419 S1424 T1425 L1426 F1476 L1479 | H1418-L1422 VanDerWaalsContact O-CG 3.32Å; H1418-L1422 WeakPolarHBondContact O-CG 3.4Å; H1418-L1422 PolarHBondContact O-N 3.14Å; F1419-L1422 PolarHBondContact O-N 2.6Å; L1422-S1424 PolarHBondContact O-N 2.93Å; L1422-T1425 PolarHBondContact O-N 3.11Å; L1422-T1425 VanDerWaalsContact O-N 3.16Å; L1422-L1426 WeakPolarHBondContact O-CB 3.18Å; L1422-L1426 WeakPolarHBondContact O-CG 3.23Å; L1422-L1426 PolarHBondContact O-N 2.6Å; L1422-F1476 HydrophobicContact CB-CZ 4.31Å; L1422-F1476 HydrophobicContact CD1-CD2 3.52Å; L1422-F1476 HydrophobicContact CD1-CE1 4.39Å; L1422-F1476 HydrophobicContact CD1-CE2 3.06Å; L1422-F1476 HydrophobicContact CD1-CG 4.41Å; L1422-F1476 HydrophobicContact CD1-CZ 3.6Å; L1422-F1476 HydrophobicContact CD2-CE1 4.13Å; L1422-F1476 HydrophobicContact CD2-CE2 3.41Å; L1422-F1476 VanDerWaalsContact CD2-CE2 3.41Å; L1422-F1476 HydrophobicContact CD2-CZ 3.12Å; L1422-F1476 HydrophobicContact CG-CE2 3.75Å; L1422-F1476 HydrophobicContact CG-CZ 3.8Å; L1422-L1479 HydrophobicContact CB-CD1 3.97Å |
| 1423 | S | 54.3 | Low | 62.7 | Low | 34 Ų | 34 | 63.2 Ų | 63.2 | 24% | 0.238 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | F1419 T1425 L1426 K1427 | F1419-S1423 WeakPolarHBondContact O-CB 3.41Å; F1419-S1423 PolarHBondContact O-N 2.73Å; S1423-T1425 VanDerWaalsContact C-N 3.29Å; S1423-T1425 PolarHBondContact O-N 2.9Å; S1423-L1426 PolarHBondContact O-N 2.98Å; S1423-K1427 WeakPolarHBondContact O-CB 3.38Å; S1423-K1427 PolarHBondContact O-N 3.4Å |
| 1424 | S | 65.8 | Low | 62.1 | Low | 67 Ų | 67 | 63.1 Ų | 63.1 | 47% | 0.469 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | D1420 Y1421 L1422 N1428 | D1420-S1424 WeakPolarHBondContact O-CB 3.22Å; D1420-S1424 PolarHBondContact O-N 2.86Å; Y1421-S1424 PolarHBondContact O-N 3.32Å; L1422-S1424 PolarHBondContact O-N 2.93Å; S1424-N1428 WeakPolarHBondContact O-CB 3.25Å; S1424-N1428 PolarHBondContact O-N 2.78Å; S1424-N1428 VanDerWaalsContact O-N 3.09Å; S1424-N1428 PolarHBondContact O-ND2 3.36Å |
| 1425 | T | 62.6 | Low | 61.3 | Low | 24 Ų | 24 | 64.1 Ų | 64.1 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.6 | -44.2 | -179.8 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | Y1421 L1422 S1423 N1428 M1429 L1462 | Y1421-T1425 WeakPolarHBondContact O-CB 3.36Å; Y1421-T1425 PolarHBondContact O-N 3.25Å; Y1421-T1425 PolarHBondContact O-OG1 3.25Å; L1422-T1425 PolarHBondContact O-N 3.11Å; L1422-T1425 VanDerWaalsContact O-N 3.16Å; S1423-T1425 VanDerWaalsContact C-N 3.29Å; S1423-T1425 PolarHBondContact O-N 2.9Å; T1425-N1428 PolarHBondContact O-N 3.39Å; T1425-M1429 PolarHBondContact O-N 3.39Å; T1425-M1429 VanDerWaalsContact O-N 3.09Å; T1425-L1462 HydrophobicContact CG2-CD1 4.2Å; T1425-L1462 HydrophobicContact CG2-CG 4.18Å |
| 1426 | L | 59 | Low | 61.7 | Low | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 174.9 | -73.7 | 168.5 | 0 | 0 | 0 | 111.6 | L1422 S1423 N1428 M1429 F1430 L1462 F1476 L1479 | L1422-L1426 WeakPolarHBondContact O-CB 3.18Å; L1422-L1426 WeakPolarHBondContact O-CG 3.23Å; L1422-L1426 PolarHBondContact O-N 2.6Å; S1423-L1426 PolarHBondContact O-N 2.98Å; L1426-N1428 VanDerWaalsContact C-N 3.33Å; L1426-N1428 PolarHBondContact O-N 3.37Å; L1426-M1429 HydrophobicContact CD2-CE 3.81Å; L1426-M1429 CarbonylContact O-C 3.59Å; L1426-M1429 WeakPolarHBondContact O-CA 3.28Å; L1426-M1429 VanDerWaalsContact O-CB 3.3Å; L1426-M1429 WeakPolarHBondContact O-CB 3.49Å; L1426-M1429 PolarHBondContact O-N 3.37Å; L1426-F1430 HydrophobicContact CB-CD2 4.43Å; L1426-F1430 HydrophobicContact CB-CE2 4.29Å; L1426-F1430 HydrophobicContact CD2-CE2 4.46Å; L1426-F1430 WeakPolarHBondContact O-CD2 3.35Å; L1426-F1430 PolarHBondContact O-N 3.04Å; L1426-L1462 HydrophobicContact CD2-CD2 4.13Å; L1426-F1476 HydrophobicContact CD1-CE1 4.38Å; L1426-L1479 HydrophobicContact CD1-CB 3.89Å; L1426-L1479 HydrophobicContact CD1-CD1 4.32Å; L1426-L1479 HydrophobicContact CD1-CD2 4Å; L1426-L1479 HydrophobicContact CD1-CG 4.28Å |
| 1427 | K | 62.3 | Low | 61.6 | Low | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 175.8 | -166.7 | 173.4 | -172.1 | 173.6 | 0 | 112.2 | S1423 M1429 F1430 T1431 | S1423-K1427 WeakPolarHBondContact O-CB 3.38Å; S1423-K1427 PolarHBondContact O-N 3.4Å; K1427-M1429 VanDerWaalsContact C-N 3.31Å; K1427-M1429 PolarHBondContact O-N 2.91Å; K1427-F1430 PolarHBondContact O-N 2.83Å; K1427-T1431 HydrophobicContact CG-CG2 4.44Å; K1427-T1431 VanDerWaalsContact O-CB 3.32Å; K1427-T1431 WeakPolarHBondContact O-CB 3.11Å; K1427-T1431 VanDerWaalsContact O-CG2 3.29Å; K1427-T1431 WeakPolarHBondContact O-CG2 3.1Å; K1427-T1431 PolarHBondContact O-N 2.9Å; K1427-T1431 PolarHBondContact O-OG1 3.34Å |
| 1428 | N | 63.4 | Low | 61.4 | Low | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 172.2 | -89.2 | -33.8 | 0 | 0 | 0 | 111.9 | S1424 T1425 L1426 T1431 K1432 | S1424-N1428 WeakPolarHBondContact O-CB 3.25Å; S1424-N1428 PolarHBondContact O-N 2.78Å; S1424-N1428 VanDerWaalsContact O-N 3.09Å; S1424-N1428 PolarHBondContact O-ND2 3.36Å; T1425-N1428 PolarHBondContact O-N 3.39Å; L1426-N1428 VanDerWaalsContact C-N 3.33Å; L1426-N1428 PolarHBondContact O-N 3.37Å; N1428-T1431 WeakPolarHBondContact CA-OG1 3.42Å; N1428-T1431 PolarHBondContact O-OG1 3.49Å; N1428-K1432 WeakPolarHBondContact O-CB 3.21Å; N1428-K1432 WeakPolarHBondContact O-CG 3.47Å; N1428-K1432 PolarHBondContact O-N 3.27Å |
| 1429 | M | 59.2 | Low | 61.3 | Low | 9 Ų | 9 | 62.5 Ų | 62.5 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 177.8 | -170.8 | -173.7 | 67.3 | 0 | 0 | 112.1 | T1425 L1426 K1427 G1433 I1445 L1462 | T1425-M1429 PolarHBondContact O-N 3.39Å; T1425-M1429 VanDerWaalsContact O-N 3.09Å; L1426-M1429 HydrophobicContact CD2-CE 3.81Å; L1426-M1429 CarbonylContact O-C 3.59Å; L1426-M1429 WeakPolarHBondContact O-CA 3.28Å; L1426-M1429 VanDerWaalsContact O-CB 3.3Å; L1426-M1429 WeakPolarHBondContact O-CB 3.49Å; L1426-M1429 PolarHBondContact O-N 3.37Å; K1427-M1429 VanDerWaalsContact C-N 3.31Å; K1427-M1429 PolarHBondContact O-N 2.91Å; M1429-G1433 PolarHBondContact O-N 3.44Å; M1429-I1445 HydrophobicContact CE-CD1 3.38Å; M1429-I1445 HydrophobicContact CE-CG1 4.24Å; M1429-I1445 HydrophobicContact CG-CD1 4.48Å; M1429-I1445 HydrophobicContact SD-CD1 3.72Å; M1429-L1462 HydrophobicContact CB-CD1 4.33Å; M1429-L1462 HydrophobicContact CG-CD1 4.25Å; M1429-L1462 HydrophobicContact SD-CD1 3.52Å; M1429-L1462 VanDerWaalsContact SD-CD1 3.52Å; M1429-L1462 HydrophobicContact SD-CD2 4.42Å |
| 1430 | F | 54.6 | Low | 61.8 | Low | 90 Ų | 90 | 62.2 Ų | 62.2 | 40% | 0.395 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70 | -31 | 178.1 | -72 | -66.3 | 0 | 0 | 0 | 113.3 | L1426 K1427 E1483 | L1426-F1430 HydrophobicContact CB-CD2 4.43Å; L1426-F1430 HydrophobicContact CB-CE2 4.29Å; L1426-F1430 HydrophobicContact CD2-CE2 4.46Å; L1426-F1430 WeakPolarHBondContact O-CD2 3.35Å; L1426-F1430 PolarHBondContact O-N 3.04Å; K1427-F1430 PolarHBondContact O-N 2.83Å; F1430-E1483 WeakPolarHBondContact CD2-OE2 3.3Å; F1430-E1483 HydrophobicContact CE2-CB 4.49Å; F1430-E1483 VanDerWaalsContact CE2-OE2 3.3Å; F1430-E1483 WeakPolarHBondContact CE2-OE2 3.35Å |
| 1431 | T | 59.7 | Low | 61.7 | Low | 99 Ų | 99 | 65.5 Ų | 65.5 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -86.3 | -29.6 | 179.1 | 54 | 0 | 0 | 0 | 0 | 114 | K1427 N1428 | K1427-T1431 HydrophobicContact CG-CG2 4.44Å; K1427-T1431 VanDerWaalsContact O-CB 3.32Å; K1427-T1431 WeakPolarHBondContact O-CB 3.11Å; K1427-T1431 VanDerWaalsContact O-CG2 3.29Å; K1427-T1431 WeakPolarHBondContact O-CG2 3.1Å; K1427-T1431 PolarHBondContact O-N 2.9Å; K1427-T1431 PolarHBondContact O-OG1 3.34Å; N1428-T1431 WeakPolarHBondContact CA-OG1 3.42Å; N1428-T1431 PolarHBondContact O-OG1 3.49Å |
| 1432 | K | 60.5 | Low | 61.3 | Low | 141 Ų | 141 | 66.6 Ų | 66.6 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -104.7 | -10.6 | -177.1 | -61 | -179.5 | 178.8 | 172.8 | 0 | 114.7 | N1428 T1434 | N1428-K1432 WeakPolarHBondContact O-CB 3.21Å; N1428-K1432 WeakPolarHBondContact O-CG 3.47Å; N1428-K1432 PolarHBondContact O-N 3.27Å; K1432-T1434 VanDerWaalsContact C-N 3.31Å; K1432-T1434 HydrophobicContact CB-CG2 4.27Å; K1432-T1434 PolarHBondContact O-N 3.02Å |
| 1433 | G | 55.4 | Low | 61.1 | Low | 58 Ų | 58 | 67.5 Ų | 67.5 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | trans | 68.6 | 22.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1429 | M1429-G1433 PolarHBondContact O-N 3.44Š| ||
| 1434 | T | 60.1 | Low | 61 | Low | 90 Ų | 90 | 74 Ų | 74 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | trans | -103.6 | 50.6 | -169.8 | 53.7 | 0 | 0 | 0 | 0 | 114.1 | K1432 | K1432-T1434 VanDerWaalsContact C-N 3.31Å; K1432-T1434 HydrophobicContact CB-CG2 4.27Å; K1432-T1434 PolarHBondContact O-N 3.02Å | ||
| 1435 | S | 57.7 | Low | 60.5 | Low | 33 Ų | 33 | 73.3 Ų | 73.3 | 23% | 0.231 | 38% | 0.376 | C | S | . | . | trans | -96.1 | 137.5 | 173.4 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | S1440 | S1435-S1440 PolarHBondContact OG-OG 3.43Š| ||
| 1436 | C | 68.9 | Low | 59.7 | Low | 21 Ų | 21 | 78 Ų | 78 | 14% | 0.142 | 41% | 0.405 | C | S | . | . | trans | -74.7 | 163.2 | 170.7 | 81.5 | 0 | 0 | 0 | 0 | 110.4 | A1438 C1439 S1440 N1458 C1460 | C1436-A1438 VanDerWaalsContact C-N 3.26Å; C1436-A1438 PolarHBondContact O-N 3.45Å; C1436-C1439 CarbonylContact O-C 3.46Å; C1436-C1439 WeakPolarHBondContact O-CA 3.18Å; C1436-C1439 WeakPolarHBondContact O-CB 3.43Å; C1436-C1439 PolarHBondContact O-N 3.06Å; C1436-C1439 PolarHBondContact SG-N 2.96Å; C1436-C1439 VanDerWaalsContact SG-N 3.43Å; C1436-C1439 PolarHBondContact SG-SG 3.22Å; C1436-S1440 PolarHBondContact O-N 2.99Å; C1436-N1458 WeakPolarHBondContact CB-O 3.32Å; C1436-C1460 HydrophobicContact CB-CB 4Å | ||
| 1437 | Y | 64.8 | Low | 59.1 | Low | 141 Ų | 141 | 86.8 Ų | 86.8 | 55% | 0.553 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -53.2 | -41.1 | -178.4 | -178.9 | -106 | 0 | 0 | 0 | 113.5 | S1440 K1441 I1454 | Y1437-S1440 PolarHBondContact O-N 3.36Å; Y1437-K1441 HydrophobicContact CE1-CD 4.39Å; Y1437-K1441 VanDerWaalsContact O-CB 3.29Å; Y1437-K1441 WeakPolarHBondContact O-CB 3.24Å; Y1437-K1441 PolarHBondContact O-N 2.93Å; Y1437-I1454 HydrophobicContact CD2-CG2 4.49Å |
| 1438 | A | 66 | Low | 57.8 | Low | 65 Ų | 65 | 87.3 Ų | 87.3 | 54% | 0.537 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1436 R1442 | C1436-A1438 VanDerWaalsContact C-N 3.26Å; C1436-A1438 PolarHBondContact O-N 3.45Å; A1438-R1442 WeakPolarHBondContact O-CB 3.46Å; A1438-R1442 PolarHBondContact O-N 2.98Å |
| 1439 | C | 64.7 | Low | 56.6 | Low | 2 Ų | 2 | 91 Ų | 91 | 1% | 0.014 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 173.6 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | C1436 K1441 R1442 F1443 C1460 C1463 | C1436-C1439 CarbonylContact O-C 3.46Å; C1436-C1439 WeakPolarHBondContact O-CA 3.18Å; C1436-C1439 WeakPolarHBondContact O-CB 3.43Å; C1436-C1439 PolarHBondContact O-N 3.06Å; C1436-C1439 PolarHBondContact SG-N 2.96Å; C1436-C1439 VanDerWaalsContact SG-N 3.43Å; C1436-C1439 PolarHBondContact SG-SG 3.22Å; C1439-K1441 PolarHBondContact O-N 2.89Å; C1439-R1442 PolarHBondContact O-N 3.35Å; C1439-F1443 HydrophobicContact CB-CD2 4.43Å; C1439-F1443 WeakPolarHBondContact O-CD2 3.43Å; C1439-F1443 PolarHBondContact O-N 3.21Å; C1439-C1460 HydrophobicContact CB-CB 4.4Å; C1439-C1460 WeakPolarHBondContact CB-SG 3.4Å; C1439-C1460 WeakPolarHBondContact SG-CB 3.48Å; C1439-C1460 CovalentContact SG-SG 2.1Å; C1439-C1460 PolarHBondContact SG-SG 3.26Å; C1439-C1463 VanDerWaalsContact SG-SG 3.64Å |
| 1440 | S | 65.4 | Low | 55.6 | Low | 35 Ų | 35 | 95.9 Ų | 95.9 | 25% | 0.245 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 178.7 | -87 | 0 | 0 | 0 | 0 | 113.8 | S1435 C1436 Y1437 K1444 I1445 | S1435-S1440 PolarHBondContact OG-OG 3.43Å; C1436-S1440 PolarHBondContact O-N 2.99Å; Y1437-S1440 PolarHBondContact O-N 3.36Å; S1440-K1444 PolarHBondContact O-N 3.38Å; S1440-I1445 PolarHBondContact O-N 3.03Å |
| 1441 | K | 63.5 | Low | 54.6 | Low | 153 Ų | 153 | 98.3 Ų | 98.3 | 67% | 0.665 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.3 | -36.9 | 177.9 | -171 | 176.8 | -179.7 | 179.3 | 0 | 111.9 | Y1437 C1439 | Y1437-K1441 HydrophobicContact CE1-CD 4.39Å; Y1437-K1441 VanDerWaalsContact O-CB 3.29Å; Y1437-K1441 WeakPolarHBondContact O-CB 3.24Å; Y1437-K1441 PolarHBondContact O-N 2.93Å; C1439-K1441 PolarHBondContact O-N 2.89Å |
| 1442 | R | 60.6 | Low | 53.8 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 50% | 0.498 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74 | -31.7 | -179.3 | -162.7 | 168.1 | -170.6 | 170.5 | -5.1 | 112.6 | A1438 C1439 C1466 | A1438-R1442 WeakPolarHBondContact O-CB 3.46Å; A1438-R1442 PolarHBondContact O-N 2.98Å; C1439-R1442 PolarHBondContact O-N 3.35Å; R1442-C1466 PolarHBondContact NH1-O 2.91Å; R1442-C1466 PolarHBondContact NH2-O 3.43Å |
| 1443 | F | 55.3 | Low | 53 | Low | 25 Ų | 25 | 102.8 Ų | 102.8 | 11% | 0.11 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 10.9 | -179.1 | -65.6 | -69.8 | 0 | 0 | 0 | 114.8 | C1439 I1445 L1462 L1470 V1480 | C1439-F1443 HydrophobicContact CB-CD2 4.43Å; C1439-F1443 WeakPolarHBondContact O-CD2 3.43Å; C1439-F1443 PolarHBondContact O-N 3.21Å; F1443-I1445 HydrophobicContact CB-CD1 4.31Å; F1443-I1445 HydrophobicContact CB-CG1 3.99Å; F1443-I1445 PolarHBondContact O-N 2.6Å; F1443-I1445 VanDerWaalsContact O-N 3.12Å; F1443-L1462 HydrophobicContact CD2-CD2 4.12Å; F1443-L1462 HydrophobicContact CE1-CD2 4.38Å; F1443-L1462 HydrophobicContact CE2-CB 4.33Å; F1443-L1462 HydrophobicContact CE2-CD2 3.39Å; F1443-L1462 HydrophobicContact CE2-CG 4.46Å; F1443-L1462 HydrophobicContact CZ-CD2 3.54Å; F1443-L1470 HydrophobicContact CZ-CD1 4.46Å; F1443-V1480 HydrophobicContact CD1-CG2 4.21Å |
| 1444 | K | 51.7 | Low | 52.4 | Low | 171 Ų | 171 | 105.6 Ų | 105.6 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 42.3 | 178.9 | -64.3 | -176.5 | 179.7 | 176.1 | 0 | 113.9 | S1440 T1446 | S1440-K1444 PolarHBondContact O-N 3.38Å; K1444-T1446 PolarHBondContact O-N 3.15Å; K1444-T1446 PolarHBondContact O-OG1 3.28Å |
| 1445 | I | 54.8 | Low | 51.7 | Low | 52 Ų | 52 | 104.1 Ų | 104.1 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | trans | -71.8 | 97.2 | -179.6 | -54.1 | 175.2 | 0 | 0 | 0 | 108.2 | M1429 S1440 F1443 | M1429-I1445 HydrophobicContact CE-CD1 3.38Å; M1429-I1445 HydrophobicContact CE-CG1 4.24Å; M1429-I1445 HydrophobicContact CG-CD1 4.48Å; M1429-I1445 HydrophobicContact SD-CD1 3.72Å; S1440-I1445 PolarHBondContact O-N 3.03Å; F1443-I1445 HydrophobicContact CB-CD1 4.31Å; F1443-I1445 HydrophobicContact CB-CG1 3.99Å; F1443-I1445 PolarHBondContact O-N 2.6Å; F1443-I1445 VanDerWaalsContact O-N 3.12Å | ||
| 1446 | T | 45.8 | Very low | 51.4 | Low | 123 Ų | 123 | 110.4 Ų | 110.4 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | trans | -113 | 41.3 | -168.5 | -30.7 | 0 | 0 | 0 | 0 | 112.6 | K1444 | K1444-T1446 PolarHBondContact O-N 3.15Å; K1444-T1446 PolarHBondContact O-OG1 3.28Å | ||
| 1447 | R | 45.7 | Very low | 50.7 | Low | 188 Ų | 188 | 117.7 Ų | 117.7 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | trans | -107 | 122.2 | 176.9 | -137.9 | 176.4 | 179.6 | 175.5 | -0.3 | 111.3 | I1449 | R1447-I1449 PolarHBondContact O-N 3.33Š| ||
| 1448 | V | 36.6 | Very low | 50.4 | Low | 134 Ų | 134 | 116.6 Ų | 116.6 | 81% | 0.812 | 59% | 0.59 | S | S | * | * | trans | -44.5 | 99.2 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1449 | I | 38.2 | Very low | 50 | Low | 150 Ų | 150 | 118.5 Ų | 118.5 | 77% | 0.769 | 60% | 0.597 | S | S | * | * | trans | -127.7 | 102.6 | 156.9 | -58.9 | -178.3 | 0 | 0 | 0 | 106.7 | R1447 | R1447-I1449 PolarHBondContact O-N 3.33Š| ||
| 1450 | T | 36.9 | Very low | 49.9 | Very low | 111 Ų | 111 | 119 Ų | 119 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | trans | -49.3 | 135.6 | 167.2 | 35.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1451 | D | 33.7 | Very low | 49.8 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 75% | 0.749 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 36.5 | 89.2 | 158.2 | -58.5 | -27.4 | 0 | 0 | 0 | 115.9 | ||
| 1452 | H | 42.8 | Very low | 49.6 | Very low | 181 Ų | 181 | 117 Ų | 117 | 84% | 0.838 | 59% | 0.594 | S | S | * | * | trans | 178.8 | 114.7 | 137.2 | -83.4 | -40.1 | 0 | 0 | 0 | 112.7 | ||||
| 1453 | I | 44.4 | Very low | 49.8 | Very low | 153 Ų | 153 | 112.7 Ų | 112.7 | 79% | 0.785 | 58% | 0.584 | S | S | * | * | trans | 59.3 | 76.6 | 153.1 | -40.4 | 175.5 | 0 | 0 | 0 | 117.4 | S1455 | I1453-S1455 PolarHBondContact O-N 3.31Š| ||
| 1454 | I | 42.7 | Very low | 50 | Low | 118 Ų | 118 | 114.6 Ų | 114.6 | 61% | 0.605 | 60% | 0.6 | S | S | * | * | trans | -77.6 | 100.4 | 151.7 | -59.6 | 174.1 | 0 | 0 | 0 | 106.7 | Y1437 E1456 | Y1437-I1454 HydrophobicContact CD2-CG2 4.49Å; I1454-E1456 PolarHBondContact O-N 3.37Å | ||
| 1455 | S | 46.4 | Very low | 50.2 | Low | 58 Ų | 58 | 107.8 Ų | 107.8 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | trans | -71.5 | 115.1 | 173.4 | 74.3 | 0 | 0 | 0 | 0 | 109 | I1453 H1457 | I1453-S1455 PolarHBondContact O-N 3.31Å; S1455-H1457 PolarHBondContact O-N 3.07Å | ||
| 1456 | E | 50.5 | Low | 50 | Low | 166 Ų | 166 | 106.2 Ų | 106.2 | 78% | 0.776 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -11.3 | -170.4 | -73.9 | -177.2 | 143.3 | 0 | 0 | 115 | I1454 | I1454-E1456 PolarHBondContact O-N 3.37Š|
| 1457 | H | 54.6 | Low | 50.2 | Low | 174 Ų | 174 | 105.1 Ų | 105.1 | 81% | 0.806 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 14.3 | -166.2 | -71 | -25 | 0 | 0 | 0 | 118.5 | S1455 | S1455-H1457 PolarHBondContact O-N 3.07Š|
| 1458 | N | 57.4 | Low | 50.3 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | trans | -105.2 | 129.1 | 176 | -82.2 | -20.8 | 0 | 0 | 0 | 113.3 | C1436 C1460 | C1436-N1458 WeakPolarHBondContact CB-O 3.32Å; N1458-C1460 PolarHBondContact O-N 3.43Å | ||
| 1459 | P | 57.4 | Low | 50.6 | Low | 104 Ų | 104 | 101.9 Ų | 101.9 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | trans | -65.3 | 131 | 177.3 | 24.7 | -30.7 | 0 | 0 | 0 | 111.5 | C1463 | P1459-C1463 HydrophobicContact CB-CB 3.84Š| ||
| 1460 | C | 64.4 | Low | 50.9 | Low | 14 Ų | 14 | 96.1 Ų | 96.1 | 10% | 0.095 | 52% | 0.522 | C | S | . | . | trans | -80.6 | 161.6 | 174.5 | 95.7 | 0 | 0 | 0 | 0 | 109.7 | C1436 C1439 N1458 L1462 C1463 | C1436-C1460 HydrophobicContact CB-CB 4Å; C1439-C1460 HydrophobicContact CB-CB 4.4Å; C1439-C1460 WeakPolarHBondContact CB-SG 3.4Å; C1439-C1460 WeakPolarHBondContact SG-CB 3.48Å; C1439-C1460 CovalentContact SG-SG 2.1Å; C1439-C1460 PolarHBondContact SG-SG 3.26Å; N1458-C1460 PolarHBondContact O-N 3.43Å; C1460-L1462 PolarHBondContact O-N 2.67Å; C1460-L1462 VanDerWaalsContact SG-CB 3.51Å; C1460-L1462 PolarHBondContact SG-N 3.41Å; C1460-C1463 PolarHBondContact N-SG 2.81Å; C1460-C1463 VanDerWaalsContact O-CB 3.22Å; C1460-C1463 WeakPolarHBondContact O-CB 3.44Å; C1460-C1463 PolarHBondContact O-N 2.97Å | ||
| 1461 | D | 62 | Low | 51.1 | Low | 135 Ų | 135 | 95.2 Ų | 95.2 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -59.1 | -22.8 | 177.2 | -72.5 | -26.7 | 0 | 0 | 0 | 112.8 | S1464 | D1461-S1464 PolarHBondContact O-OG 3.16Š|
| 1462 | L | 59.9 | Low | 51.5 | Low | 9 Ų | 9 | 92.1 Ų | 92.1 | 5% | 0.047 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -78.1 | -15 | 170.9 | -67.7 | 95.1 | 0 | 0 | 0 | 113.9 | T1425 L1426 M1429 F1443 C1460 S1464 V1465 C1466 | T1425-L1462 HydrophobicContact CG2-CD1 4.2Å; T1425-L1462 HydrophobicContact CG2-CG 4.18Å; L1426-L1462 HydrophobicContact CD2-CD2 4.13Å; M1429-L1462 HydrophobicContact CB-CD1 4.33Å; M1429-L1462 HydrophobicContact CG-CD1 4.25Å; M1429-L1462 HydrophobicContact SD-CD1 3.52Å; M1429-L1462 VanDerWaalsContact SD-CD1 3.52Å; M1429-L1462 HydrophobicContact SD-CD2 4.42Å; F1443-L1462 HydrophobicContact CD2-CD2 4.12Å; F1443-L1462 HydrophobicContact CE1-CD2 4.38Å; F1443-L1462 HydrophobicContact CE2-CB 4.33Å; F1443-L1462 HydrophobicContact CE2-CD2 3.39Å; F1443-L1462 HydrophobicContact CE2-CG 4.46Å; F1443-L1462 HydrophobicContact CZ-CD2 3.54Å; C1460-L1462 PolarHBondContact O-N 2.67Å; C1460-L1462 VanDerWaalsContact SG-CB 3.51Å; C1460-L1462 PolarHBondContact SG-N 3.41Å; L1462-S1464 PolarHBondContact O-N 3.43Å; L1462-V1465 CarbonylContact O-C 3.54Å; L1462-V1465 WeakPolarHBondContact O-CA 3.38Å; L1462-V1465 WeakPolarHBondContact O-CB 3.48Å; L1462-V1465 PolarHBondContact O-N 3.4Å; L1462-C1466 WeakPolarHBondContact O-CB 3.44Å; L1462-C1466 PolarHBondContact O-N 3.26Å; L1462-C1466 PolarHBondContact O-SG 3.5Å |
| 1463 | C | 64.7 | Low | 51.6 | Low | 42 Ų | 42 | 85.6 Ų | 85.6 | 28% | 0.284 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -61 | -28.5 | 178.8 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | C1439 P1459 C1460 V1465 | C1439-C1463 VanDerWaalsContact SG-SG 3.64Å; P1459-C1463 HydrophobicContact CB-CB 3.84Å; C1460-C1463 PolarHBondContact N-SG 2.81Å; C1460-C1463 VanDerWaalsContact O-CB 3.22Å; C1460-C1463 WeakPolarHBondContact O-CB 3.44Å; C1460-C1463 PolarHBondContact O-N 2.97Å; C1463-V1465 VanDerWaalsContact C-N 3.29Å |
| 1464 | S | 58.8 | Low | 51.3 | Low | 65 Ų | 65 | 83 Ų | 83 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -74.3 | -18.4 | 173.8 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | D1461 L1462 | D1461-S1464 PolarHBondContact O-OG 3.16Å; L1462-S1464 PolarHBondContact O-N 3.43Å |
| 1465 | V | 56 | Low | 51.1 | Low | 29 Ų | 29 | 79 Ų | 79 | 18% | 0.176 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -23.1 | 177.2 | -171 | 0 | 0 | 0 | 0 | 110.8 | L1462 C1463 L1470 F1476 | L1462-V1465 CarbonylContact O-C 3.54Å; L1462-V1465 WeakPolarHBondContact O-CA 3.38Å; L1462-V1465 WeakPolarHBondContact O-CB 3.48Å; L1462-V1465 PolarHBondContact O-N 3.4Å; C1463-V1465 VanDerWaalsContact C-N 3.29Å; V1465-L1470 HydrophobicContact CG1-CD2 4.23Å; V1465-F1476 HydrophobicContact CG1-CZ 4.19Å |
| 1466 | C | 51.3 | Low | 50.9 | Low | 18 Ų | 18 | 76.7 Ų | 76.7 | 12% | 0.122 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.8 | -174.7 | -71.6 | 0 | 0 | 0 | 0 | 115.8 | R1442 L1462 E1468 | R1442-C1466 PolarHBondContact NH1-O 2.91Å; R1442-C1466 PolarHBondContact NH2-O 3.43Å; L1462-C1466 WeakPolarHBondContact O-CB 3.44Å; L1462-C1466 PolarHBondContact O-N 3.26Å; L1462-C1466 PolarHBondContact O-SG 3.5Å; C1466-E1468 VanDerWaalsContact C-N 3.33Å |
| 1467 | S | 49.3 | Very low | 50.3 | Low | 100 Ų | 100 | 75.1 Ų | 75.1 | 70% | 0.699 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -14.3 | -176.8 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1468 | E | 48.8 | Very low | 49.7 | Very low | 134 Ų | 134 | 72.8 Ų | 72.8 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -111.4 | 150.6 | 178.3 | -65.3 | -176.9 | 170.6 | 0 | 0 | 109.9 | C1466 L1470 | C1466-E1468 VanDerWaalsContact C-N 3.33Å; E1468-L1470 VanDerWaalsContact C-N 3.33Å; E1468-L1470 PolarHBondContact O-N 2.94Å |
| 1469 | N | 43 | Very low | 48.8 | Very low | 120 Ų | 120 | 67.5 Ų | 67.5 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | trans | -56.8 | 92.3 | -179.2 | -107.4 | -18.4 | 0 | 0 | 0 | 110.1 | S1471 V1472 | N1469-S1471 PolarHBondContact O-N 2.86Å; N1469-V1472 HydrophobicContact CB-CG2 4Å; N1469-V1472 VanDerWaalsContact O-CB 3.28Å; N1469-V1472 WeakPolarHBondContact O-CB 3.35Å; N1469-V1472 WeakPolarHBondContact O-CG2 3.32Å; N1469-V1472 PolarHBondContact O-N 3.08Å | ||
| 1470 | L | 44.5 | Very low | 48.1 | Very low | 29 Ų | 29 | 64.7 Ų | 64.7 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -61.8 | -7.6 | 174.7 | -86.1 | 146.5 | 0 | 0 | 0 | 113 | F1443 V1465 E1468 V1472 F1476 | F1443-L1470 HydrophobicContact CZ-CD1 4.46Å; V1465-L1470 HydrophobicContact CG1-CD2 4.23Å; E1468-L1470 VanDerWaalsContact C-N 3.33Å; E1468-L1470 PolarHBondContact O-N 2.94Å; L1470-V1472 PolarHBondContact O-N 3.26Å; L1470-F1476 HydrophobicContact CD2-CD1 4.17Å; L1470-F1476 HydrophobicContact CD2-CD2 3.7Å; L1470-F1476 HydrophobicContact CD2-CE1 3.99Å; L1470-F1476 HydrophobicContact CD2-CE2 3.42Å; L1470-F1476 VanDerWaalsContact CD2-CE2 3.42Å; L1470-F1476 HydrophobicContact CD2-CG 4Å; L1470-F1476 HydrophobicContact CD2-CZ 3.55Å |
| 1471 | S | 41 | Very low | 46.8 | Very low | 93 Ų | 93 | 68.2 Ų | 68.2 | 65% | 0.65 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -65.8 | -4.9 | 165.9 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | N1469 | N1469-S1471 PolarHBondContact O-N 2.86Š|
| 1472 | V | 42.1 | Very low | 45.5 | Very low | 74 Ų | 74 | 66.3 Ų | 66.3 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -87.9 | -7.2 | -179.2 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | N1469 L1470 | N1469-V1472 HydrophobicContact CB-CG2 4Å; N1469-V1472 VanDerWaalsContact O-CB 3.28Å; N1469-V1472 WeakPolarHBondContact O-CB 3.35Å; N1469-V1472 WeakPolarHBondContact O-CG2 3.32Å; N1469-V1472 PolarHBondContact O-N 3.08Å; L1470-V1472 PolarHBondContact O-N 3.26Å |
| 1473 | Y | 44.2 | Very low | 44.4 | Very low | 45 Ų | 45 | 67.7 Ų | 67.7 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | trans | -118.5 | 104 | -176.8 | -65 | -81.1 | 0 | 0 | 0 | 112.5 | G1382 H1418 T1475 F1476 | G1382-Y1473 WeakPolarHBondContact CA-OH 3.29Å; G1382-Y1473 PolarHBondContact N-OH 2.94Å; H1418-Y1473 AromaticContact CE1-CE1 3.97Å; Y1473-T1475 PolarHBondContact O-N 2.99Å; Y1473-F1476 HydrophobicContact CD2-CD2 4.47Å; Y1473-F1476 HydrophobicContact CG-CD2 4.29Å; Y1473-F1476 PolarHBondContact O-N 2.84Å; Y1473-F1476 VanDerWaalsContact O-N 3.1Å | ||
| 1474 | P | 38 | Very low | 43.3 | Very low | 97 Ų | 97 | 72 Ų | 72 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.2 | -21.3 | 172.7 | -18.3 | 28.2 | 0 | 0 | 0 | 113 | ||
| 1475 | T | 38.5 | Very low | 42 | Very low | 34 Ų | 34 | 75.3 Ų | 75.3 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -76.8 | -18.1 | -179 | -9.1 | 0 | 0 | 0 | 0 | 113.5 | F1419 Y1473 W1478 L1479 | F1419-T1475 HydrophobicContact CD2-CG2 3.72Å; F1419-T1475 HydrophobicContact CE2-CG2 4.21Å; Y1473-T1475 PolarHBondContact O-N 2.99Å; T1475-W1478 HydrophobicContact CG2-CE3 3.95Å; T1475-W1478 HydrophobicContact CG2-CZ3 4.36Å; T1475-L1479 PolarHBondContact O-N 2.77Å |
| 1476 | F | 42.1 | Very low | 40.9 | Very low | 11 Ų | 11 | 83.5 Ų | 83.5 | 5% | 0.048 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -88 | -36.8 | -176.6 | -111.3 | -75 | 0 | 0 | 0 | 113.2 | L1422 L1426 V1465 L1470 Y1473 W1478 L1479 V1480 | L1422-F1476 HydrophobicContact CB-CZ 4.31Å; L1422-F1476 HydrophobicContact CD1-CD2 3.52Å; L1422-F1476 HydrophobicContact CD1-CE1 4.39Å; L1422-F1476 HydrophobicContact CD1-CE2 3.06Å; L1422-F1476 HydrophobicContact CD1-CG 4.41Å; L1422-F1476 HydrophobicContact CD1-CZ 3.6Å; L1422-F1476 HydrophobicContact CD2-CE1 4.13Å; L1422-F1476 HydrophobicContact CD2-CE2 3.41Å; L1422-F1476 VanDerWaalsContact CD2-CE2 3.41Å; L1422-F1476 HydrophobicContact CD2-CZ 3.12Å; L1422-F1476 HydrophobicContact CG-CE2 3.75Å; L1422-F1476 HydrophobicContact CG-CZ 3.8Å; L1426-F1476 HydrophobicContact CD1-CE1 4.38Å; V1465-F1476 HydrophobicContact CG1-CZ 4.19Å; L1470-F1476 HydrophobicContact CD2-CD1 4.17Å; L1470-F1476 HydrophobicContact CD2-CD2 3.7Å; L1470-F1476 HydrophobicContact CD2-CE1 3.99Å; L1470-F1476 HydrophobicContact CD2-CE2 3.42Å; L1470-F1476 VanDerWaalsContact CD2-CE2 3.42Å; L1470-F1476 HydrophobicContact CD2-CG 4Å; L1470-F1476 HydrophobicContact CD2-CZ 3.55Å; Y1473-F1476 HydrophobicContact CD2-CD2 4.47Å; Y1473-F1476 HydrophobicContact CG-CD2 4.29Å; Y1473-F1476 PolarHBondContact O-N 2.84Å; Y1473-F1476 VanDerWaalsContact O-N 3.1Å; F1476-W1478 PolarHBondContact O-N 3.31Å; F1476-L1479 PolarHBondContact O-N 3.36Å; F1476-V1480 WeakPolarHBondContact O-CG2 3.27Å; F1476-V1480 PolarHBondContact O-N 3.24Å |
| 1477 | D | 39.1 | Very low | 40 | Very low | 132 Ų | 132 | 86.3 Ų | 86.3 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64.7 | -30.7 | 168.3 | -84.3 | -19 | 0 | 0 | 0 | 111.1 | C1481 | D1477-C1481 PolarHBondContact O-N 3.15Å; D1477-C1481 PolarHBondContact O-SG 2.62Å |
| 1478 | W | 40.8 | Very low | 39.1 | Very low | 126 Ų | 126 | 88.2 Ų | 88.2 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 171.1 | -177.8 | 62.3 | 0 | 0 | 0 | 112.6 | F1419 T1475 F1476 C1481 F1482 | F1419-W1478 HydrophobicContact CD1-CZ3 4.48Å; F1419-W1478 HydrophobicContact CD2-CE3 4.09Å; F1419-W1478 AromaticContact CD2-CZ3 3.7Å; F1419-W1478 HydrophobicContact CD2-CZ3 3.7Å; F1419-W1478 HydrophobicContact CE1-CH2 4.21Å; F1419-W1478 AromaticContact CE1-CZ3 3.87Å; F1419-W1478 HydrophobicContact CE1-CZ3 3.87Å; F1419-W1478 AromaticContact CE2-CE3 3.24Å; F1419-W1478 HydrophobicContact CE2-CE3 3.24Å; F1419-W1478 AromaticContact CE2-CH2 3.99Å; F1419-W1478 HydrophobicContact CE2-CH2 3.99Å; F1419-W1478 AromaticContact CE2-CZ3 2.94Å; F1419-W1478 HydrophobicContact CE2-CZ3 2.94Å; F1419-W1478 HydrophobicContact CG-CZ3 4.41Å; F1419-W1478 AromaticContact CZ-CE3 3.71Å; F1419-W1478 HydrophobicContact CZ-CE3 3.71Å; F1419-W1478 AromaticContact CZ-CH2 3.62Å; F1419-W1478 HydrophobicContact CZ-CH2 3.62Å; F1419-W1478 AromaticContact CZ-CZ3 3.04Å; F1419-W1478 HydrophobicContact CZ-CZ3 3.04Å; T1475-W1478 HydrophobicContact CG2-CE3 3.95Å; T1475-W1478 HydrophobicContact CG2-CZ3 4.36Å; F1476-W1478 PolarHBondContact O-N 3.31Å; W1478-C1481 PolarHBondContact O-N 2.8Å; W1478-F1482 HydrophobicContact CZ2-CD2 4.41Å; W1478-F1482 HydrophobicContact CZ2-CE2 4.35Å; W1478-F1482 AromaticContact NE1-CD2 3.87Å; W1478-F1482 WeakPolarHBondContact O-CB 3.39Å; W1478-F1482 PolarHBondContact O-N 3.44Å |
| 1479 | L | 38.7 | Very low | 38 | Very low | 7 Ų | 7 | 87 Ų | 87 | 4% | 0.037 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.9 | -38 | -179.9 | -103.1 | 153.7 | 0 | 0 | 0 | 114.3 | F1419 L1422 L1426 T1475 F1476 C1481 F1482 E1483 | F1419-L1479 HydrophobicContact CD2-CD1 3.61Å; F1419-L1479 HydrophobicContact CD2-CG 4.3Å; F1419-L1479 HydrophobicContact CE2-CD1 3.16Å; F1419-L1479 HydrophobicContact CE2-CD2 4.07Å; F1419-L1479 HydrophobicContact CE2-CG 3.37Å; F1419-L1479 HydrophobicContact CZ-CD1 3.88Å; F1419-L1479 HydrophobicContact CZ-CD2 3.94Å; F1419-L1479 HydrophobicContact CZ-CG 3.72Å; L1422-L1479 HydrophobicContact CB-CD1 3.97Å; L1426-L1479 HydrophobicContact CD1-CB 3.89Å; L1426-L1479 HydrophobicContact CD1-CD1 4.32Å; L1426-L1479 HydrophobicContact CD1-CD2 4Å; L1426-L1479 HydrophobicContact CD1-CG 4.28Å; T1475-L1479 PolarHBondContact O-N 2.77Å; F1476-L1479 PolarHBondContact O-N 3.36Å; L1479-C1481 VanDerWaalsContact C-N 3.29Å; L1479-C1481 PolarHBondContact O-N 3.06Å; L1479-F1482 PolarHBondContact O-N 3.47Å; L1479-E1483 PolarHBondContact O-N 3.21Å |
| 1480 | V | 43.2 | Very low | 37.4 | Very low | 44 Ų | 44 | 85.6 Ų | 85.6 | 27% | 0.267 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.4 | -29.1 | 179.6 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | F1443 F1476 | F1443-V1480 HydrophobicContact CD1-CG2 4.21Å; F1476-V1480 WeakPolarHBondContact O-CG2 3.27Å; F1476-V1480 PolarHBondContact O-N 3.24Å |
| 1481 | C | 37.7 | Very low | 36.7 | Very low | 88 Ų | 88 | 89.6 Ų | 89.6 | 60% | 0.595 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -87.5 | -28 | 175.8 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | D1477 W1478 L1479 | D1477-C1481 PolarHBondContact O-N 3.15Å; D1477-C1481 PolarHBondContact O-SG 2.62Å; W1478-C1481 PolarHBondContact O-N 2.8Å; L1479-C1481 VanDerWaalsContact C-N 3.29Å; L1479-C1481 PolarHBondContact O-N 3.06Å |
| 1482 | F | 34.6 | Very low | 36.2 | Very low | 96 Ų | 96 | 90.1 Ų | 90.1 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -82.4 | -32.4 | -174.3 | -156.6 | -98.3 | 0 | 0 | 0 | 114.1 | W1478 L1479 H1485 W1486 | W1478-F1482 HydrophobicContact CZ2-CD2 4.41Å; W1478-F1482 HydrophobicContact CZ2-CE2 4.35Å; W1478-F1482 AromaticContact NE1-CD2 3.87Å; W1478-F1482 WeakPolarHBondContact O-CB 3.39Å; W1478-F1482 PolarHBondContact O-N 3.44Å; L1479-F1482 PolarHBondContact O-N 3.47Å; F1482-H1485 PolarHBondContact O-N 3.36Å; F1482-W1486 HydrophobicContact CD1-CE3 4.28Å; F1482-W1486 AromaticContact CE1-CE3 3.69Å; F1482-W1486 HydrophobicContact CE1-CE3 3.69Å; F1482-W1486 HydrophobicContact CE1-CH2 4.41Å; F1482-W1486 AromaticContact CE1-CZ3 3.6Å; F1482-W1486 HydrophobicContact CE1-CZ3 3.6Å; F1482-W1486 HydrophobicContact CZ-CZ3 4.3Å |
| 1483 | E | 37 | Very low | 35.4 | Very low | 38 Ų | 38 | 91.8 Ų | 91.8 | 18% | 0.178 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -78.2 | -21.6 | 176.4 | -112.9 | -174.7 | 159.5 | 0 | 0 | 113.6 | F1430 L1479 H1485 S1487 | F1430-E1483 WeakPolarHBondContact CD2-OE2 3.3Å; F1430-E1483 HydrophobicContact CE2-CB 4.49Å; F1430-E1483 VanDerWaalsContact CE2-OE2 3.3Å; F1430-E1483 WeakPolarHBondContact CE2-OE2 3.35Å; L1479-E1483 PolarHBondContact O-N 3.21Å; E1483-H1485 PolarHBondContact O-N 2.89Å; E1483-S1487 PolarHBondContact O-OG 3.33Å; E1483-S1487 VanDerWaalsContact O-OG 3.09Å |
| 1484 | H | 40.2 | Very low | 34.8 | Very low | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.606 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -67.3 | -18.4 | 174 | -126.3 | -66.8 | 0 | 0 | 0 | 112.6 | ||
| 1485 | H | 32.7 | Very low | 34.5 | Very low | 135 Ų | 135 | 99.6 Ų | 99.6 | 63% | 0.625 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -105.5 | -9.1 | -176.4 | -106 | -78.8 | 0 | 0 | 0 | 115.4 | F1482 E1483 L1502 | F1482-H1485 PolarHBondContact O-N 3.36Å; E1483-H1485 PolarHBondContact O-N 2.89Å; H1485-L1502 VanDerWaalsContact NE2-CD1 3.27Å; H1485-L1502 WeakPolarHBondContact NE2-CD1 3.28Å |
| 1486 | W | 31.8 | Very low | 33.9 | Very low | 201 Ų | 201 | 104.4 Ų | 104.4 | 76% | 0.761 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -114.9 | 10.2 | -174.2 | -123.6 | -1.2 | 0 | 0 | 0 | 115.7 | F1482 | F1482-W1486 HydrophobicContact CD1-CE3 4.28Å; F1482-W1486 AromaticContact CE1-CE3 3.69Å; F1482-W1486 HydrophobicContact CE1-CE3 3.69Å; F1482-W1486 HydrophobicContact CE1-CH2 4.41Å; F1482-W1486 AromaticContact CE1-CZ3 3.6Å; F1482-W1486 HydrophobicContact CE1-CZ3 3.6Å; F1482-W1486 HydrophobicContact CZ-CZ3 4.3Å |
| 1487 | S | 32.9 | Very low | 33.2 | Very low | 77 Ų | 77 | 113 Ų | 113 | 54% | 0.538 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -111.4 | 10.2 | -174.7 | -49.8 | 0 | 0 | 0 | 0 | 115.4 | E1483 | E1483-S1487 PolarHBondContact O-OG 3.33Å; E1483-S1487 VanDerWaalsContact O-OG 3.09Å |
| 1488 | I | 29.4 | Very low | 32.7 | Very low | 140 Ų | 140 | 116 Ų | 116 | 72% | 0.718 | 63% | 0.632 | S | S | * | * | trans | -127.7 | 77 | -179.2 | -53.1 | 177.3 | 0 | 0 | 0 | 108.8 | ||||
| 1489 | S | 26.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | -154.2 | 69.2 | 169.8 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1490 | A | 29.6 | Very low | 31.6 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -163.1 | 124.8 | 154 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1491 | S | 31.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | 80 | 106.5 | 165.3 | 66.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1492 | S | 29 | Very low | 30.4 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | 63.3 | 109 | 136.2 | 60.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 1493 | S | 27.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | 58 | 85.4 | 130.8 | 68 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1494 | V | 30.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -148 | 138.2 | 143.8 | -175.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1495 | N | 32.5 | Very low | 29.8 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -59.4 | 143.4 | -170 | -72.5 | -30.8 | 0 | 0 | 0 | 115.1 | ||||
| 1496 | N | 25.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | trans | -69.8 | 125.9 | -176.9 | -63.3 | -40.8 | 0 | 0 | 0 | 113 | ||||
| 1497 | E | 28.3 | Very low | 29.6 | Very low | 192 Ų | 192 | 123.6 Ų | 123.6 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | trans | -173.9 | 60.5 | 152.5 | -108.3 | 173.2 | -149.8 | 0 | 0 | 109.5 | ||||
| 1498 | E | 27.7 | Very low | 29.4 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | trans | -177 | 69.5 | 164.8 | -107.1 | 171.8 | -163.5 | 0 | 0 | 108.9 | ||||
| 1499 | I | 27.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | -112 | 107.2 | 170.9 | -63 | 178 | 0 | 0 | 0 | 107.2 | D1501 | I1499-D1501 PolarHBondContact O-N 3.38Š| ||
| 1500 | V | 29.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | -68.8 | 111.7 | 173.4 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | L1502 | V1500-L1502 PolarHBondContact O-N 3.34Š| ||
| 1501 | D | 26.4 | Very low | 29.6 | Very low | 91 Ų | 91 | 120.9 Ų | 120.9 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | trans | -67.3 | 108.3 | 176.9 | -165.3 | -0.4 | 0 | 0 | 0 | 110 | N894 I1499 T1503 | N894-D1501 PolarHBondContact ND2-OD2 3.08Å; I1499-D1501 PolarHBondContact O-N 3.38Å; D1501-T1503 PolarHBondContact O-N 3.22Å; D1501-T1503 VanDerWaalsContact O-N 3.15Å; D1501-T1503 WeakPolarHBondContact OD1-CB 3.48Å; D1501-T1503 VanDerWaalsContact OD1-CG2 3.31Å; D1501-T1503 WeakPolarHBondContact OD1-CG2 3.44Å; D1501-T1503 PolarHBondContact OD1-OG1 3.17Å; D1501-T1503 PolarHBondContact OD2-OG1 3.11Å; D1501-T1503 VanDerWaalsContact OD2-OG1 3.13Å | ||
| 1502 | L | 30 | Very low | 29.6 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | trans | -81.2 | 32.9 | 176.6 | -84.7 | 172.9 | 0 | 0 | 0 | 112.9 | H1485 V1500 | H1485-L1502 VanDerWaalsContact NE2-CD1 3.27Å; H1485-L1502 WeakPolarHBondContact NE2-CD1 3.28Å; V1500-L1502 PolarHBondContact O-N 3.34Å | ||
| 1503 | T | 33.8 | Very low | 29.5 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | trans | -101.3 | 15.8 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 114 | D1501 E1505 | D1501-T1503 PolarHBondContact O-N 3.22Å; D1501-T1503 VanDerWaalsContact O-N 3.15Å; D1501-T1503 WeakPolarHBondContact OD1-CB 3.48Å; D1501-T1503 VanDerWaalsContact OD1-CG2 3.31Å; D1501-T1503 WeakPolarHBondContact OD1-CG2 3.44Å; D1501-T1503 PolarHBondContact OD1-OG1 3.17Å; D1501-T1503 PolarHBondContact OD2-OG1 3.11Å; D1501-T1503 VanDerWaalsContact OD2-OG1 3.13Å; T1503-E1505 PolarHBondContact O-N 3.37Å | ||
| 1504 | D | 30.5 | Very low | 29.7 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | trans | -78.6 | 86.2 | -179 | -167.9 | 24.9 | 0 | 0 | 0 | 113.6 | K889 K1506 | K889-D1504 IonicContact NZ-OD2 3.27Å; K889-D1504 PolarHBondContact NZ-OD2 3.45Å; D1504-K1506 PolarHBondContact O-N 3.25Å | ||
| 1505 | E | 33.1 | Very low | 29.9 | Very low | 193 Ų | 193 | 112.3 Ų | 112.3 | 90% | 0.902 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 30.6 | -179.3 | -84.2 | -168.7 | 154.4 | 0 | 0 | 117.2 | T1503 | T1503-E1505 PolarHBondContact O-N 3.37Š|
| 1506 | K | 30.5 | Very low | 29.8 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 39% | 0.387 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.5 | 7 | -172.6 | -80.7 | 178.5 | -168.7 | 165.7 | 0 | 118.5 | T885 D1504 | T885-K1506 PolarHBondContact OG1-O 2.99Å; D1504-K1506 PolarHBondContact O-N 3.25Å |
| 1507 | D | 31.3 | Very low | 30.2 | Very low | 60 Ų | 60 | 105.3 Ų | 105.3 | 32% | 0.321 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -137.3 | 22 | 172.5 | -71.6 | -49.8 | 0 | 0 | 0 | 115.7 | K889 | K889-D1507 WeakPolarHBondContact CE-OD2 3.35Å; K889-D1507 IonicContact NZ-OD2 3.15Å; K889-D1507 PolarHBondContact NZ-OD2 3.37Å |
| 1508 | C | 28.5 | Very low | 30.7 | Very low | 74 Ų | 74 | 103.2 Ų | 103.2 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | trans | -135.7 | 33.9 | -175.4 | -77.6 | 0 | 0 | 0 | 0 | 114.6 | N1510 Y1511 G1512 | C1508-N1510 PolarHBondContact O-N 2.94Å; C1508-Y1511 PolarHBondContact O-N 3.24Å; C1508-G1512 PolarHBondContact O-N 3.01Å | ||
| 1509 | G | 29 | Very low | 31.2 | Very low | 41 Ų | 41 | 95.2 Ų | 95.2 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | T882 | T882-G1509 WeakPolarHBondContact O-CA 3.47Š|
| 1510 | N | 31.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 93.6 Ų | 93.6 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -11.9 | 161.9 | -83.1 | -23.7 | 0 | 0 | 0 | 113.2 | C1508 L1514 | C1508-N1510 PolarHBondContact O-N 2.94Å; N1510-L1514 WeakPolarHBondContact O-CD1 3.37Å |
| 1511 | Y | 29.4 | Very low | 32.2 | Very low | 128 Ų | 128 | 91.3 Ų | 91.3 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -90.8 | -26 | -176.3 | -74.5 | -82.8 | 0 | 0 | 0 | 113.3 | C1508 L1514 V1515 | C1508-Y1511 PolarHBondContact O-N 3.24Å; Y1511-L1514 CarbonylContact O-C 3.49Å; Y1511-L1514 PolarHBondContact O-N 3.41Å; Y1511-V1515 VanDerWaalsContact O-CB 3.25Å; Y1511-V1515 WeakPolarHBondContact O-CB 3.5Å; Y1511-V1515 WeakPolarHBondContact O-CG2 3.36Å; Y1511-V1515 PolarHBondContact O-N 2.89Å |
| 1512 | G | 30.3 | Very low | 33 | Very low | 38 Ų | 38 | 87.7 Ų | 87.7 | 39% | 0.392 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1508 L1516 | C1508-G1512 PolarHBondContact O-N 3.01Å; G1512-L1516 PolarHBondContact O-N 3.41Å |
| 1513 | S | 28.1 | Very low | 33.7 | Very low | 71 Ų | 71 | 85 Ų | 85 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 170.9 | -36.9 | 0 | 0 | 0 | 0 | 110.8 | L1517 | S1513-L1517 WeakPolarHBondContact O-CB 3.26Å; S1513-L1517 WeakPolarHBondContact O-CD1 3.04Å; S1513-L1517 WeakPolarHBondContact O-CG 3.48Å; S1513-L1517 PolarHBondContact O-N 3.32Å |
| 1514 | L | 30.3 | Very low | 34.2 | Very low | 77 Ų | 77 | 83.2 Ų | 83.2 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.2 | -32.4 | 176.9 | -86.2 | 160.2 | 0 | 0 | 0 | 113.3 | N1510 Y1511 L1516 L1517 Y1518 | N1510-L1514 WeakPolarHBondContact O-CD1 3.37Å; Y1511-L1514 CarbonylContact O-C 3.49Å; Y1511-L1514 PolarHBondContact O-N 3.41Å; L1514-L1516 VanDerWaalsContact C-N 3.34Å; L1514-L1517 PolarHBondContact O-N 3.4Å; L1514-Y1518 HydrophobicContact CD2-CD2 3.68Å; L1514-Y1518 HydrophobicContact CD2-CE2 3.48Å; L1514-Y1518 VanDerWaalsContact CD2-CE2 3.48Å; L1514-Y1518 PolarHBondContact O-N 2.9Å |
| 1515 | V | 33.3 | Very low | 35 | Very low | 102 Ų | 102 | 80.5 Ų | 80.5 | 62% | 0.618 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.5 | -28.2 | 178.2 | 164.6 | 0 | 0 | 0 | 0 | 112.1 | Y1511 S1519 | Y1511-V1515 VanDerWaalsContact O-CB 3.25Å; Y1511-V1515 WeakPolarHBondContact O-CB 3.5Å; Y1511-V1515 WeakPolarHBondContact O-CG2 3.36Å; Y1511-V1515 PolarHBondContact O-N 2.89Å; V1515-S1519 WeakPolarHBondContact O-CB 3.29Å |
| 1516 | L | 32.3 | Very low | 35.8 | Very low | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -98.7 | -11.3 | 169.4 | -79.5 | 161.4 | 0 | 0 | 0 | 113.7 | G1512 L1514 S1522 H1588 | G1512-L1516 PolarHBondContact O-N 3.41Å; L1514-L1516 VanDerWaalsContact C-N 3.34Å; L1516-S1522 WeakPolarHBondContact O-CB 3.32Å; L1516-S1522 PolarHBondContact O-OG 3.39Å; L1516-H1588 WeakPolarHBondContact CD1-CE1 3.45Å; L1516-H1588 WeakPolarHBondContact CD1-NE2 3.23Å |
| 1517 | L | 34.2 | Very low | 36.6 | Very low | 71 Ų | 71 | 77.4 Ų | 77.4 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -82.1 | -22.5 | 171.6 | -83.3 | 159.9 | 0 | 0 | 0 | 112.6 | S1513 L1514 | S1513-L1517 WeakPolarHBondContact O-CB 3.26Å; S1513-L1517 WeakPolarHBondContact O-CD1 3.04Å; S1513-L1517 WeakPolarHBondContact O-CG 3.48Å; S1513-L1517 PolarHBondContact O-N 3.32Å; L1514-L1517 PolarHBondContact O-N 3.4Å |
| 1518 | Y | 37.9 | Very low | 37.6 | Very low | 148 Ų | 148 | 77 Ų | 77 | 58% | 0.58 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -126.1 | 10.4 | -174.5 | -69.7 | -88.6 | 0 | 0 | 0 | 115.1 | L1514 | L1514-Y1518 HydrophobicContact CD2-CD2 3.68Å; L1514-Y1518 HydrophobicContact CD2-CE2 3.48Å; L1514-Y1518 VanDerWaalsContact CD2-CE2 3.48Å; L1514-Y1518 PolarHBondContact O-N 2.9Å |
| 1519 | S | 38.5 | Very low | 38.7 | Very low | 28 Ų | 28 | 74.9 Ų | 74.9 | 20% | 0.196 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -67.4 | 145.3 | 169.2 | 90.7 | 0 | 0 | 0 | 0 | 110.5 | V1515 V1521 S1522 I1523 | V1515-S1519 WeakPolarHBondContact O-CB 3.29Å; S1519-V1521 PolarHBondContact O-N 2.8Å; S1519-V1521 PolarHBondContact OG-N 3.46Å; S1519-S1522 PolarHBondContact O-N 2.88Å; S1519-S1522 PolarHBondContact OG-N 3.31Å; S1519-S1522 VanDerWaalsContact OG-N 3.07Å; S1519-I1523 PolarHBondContact O-N 3.25Å |
| 1520 | P | 35.4 | Very low | 39.8 | Very low | 111 Ų | 111 | 77 Ų | 77 | 72% | 0.721 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -51.6 | -29.7 | 173.2 | -26.5 | 33.6 | 0 | 0 | 0 | 113.1 | A1524 | P1520-A1524 VanDerWaalsContact O-CB 3.24Å; P1520-A1524 WeakPolarHBondContact O-CB 3.4Å; P1520-A1524 PolarHBondContact O-N 3.32Å |
| 1521 | V | 41.8 | Very low | 40.9 | Very low | 78 Ų | 78 | 77.9 Ų | 77.9 | 47% | 0.473 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.6 | -42.3 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | S1519 A1524 L1525 F1572 | S1519-V1521 PolarHBondContact O-N 2.8Å; S1519-V1521 PolarHBondContact OG-N 3.46Å; V1521-A1524 PolarHBondContact O-N 3.4Å; V1521-L1525 PolarHBondContact O-N 2.77Å; V1521-F1572 HydrophobicContact CG1-CE2 4.02Å; V1521-F1572 HydrophobicContact CG1-CZ 3.97Å |
| 1522 | S | 43 | Very low | 42.1 | Very low | 15 Ų | 15 | 75.2 Ų | 75.2 | 11% | 0.105 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.1 | -35.9 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 113.3 | L1516 S1519 L1525 R1526 | L1516-S1522 WeakPolarHBondContact O-CB 3.32Å; L1516-S1522 PolarHBondContact O-OG 3.39Å; S1519-S1522 PolarHBondContact O-N 2.88Å; S1519-S1522 PolarHBondContact OG-N 3.31Å; S1519-S1522 VanDerWaalsContact OG-N 3.07Å; S1522-L1525 PolarHBondContact O-N 3.35Å; S1522-R1526 WeakPolarHBondContact O-CB 3.48Å; S1522-R1526 WeakPolarHBondContact O-CG 3.36Å; S1522-R1526 PolarHBondContact O-N 3.41Å; S1522-R1526 PolarHBondContact OG-NE 3.23Å; S1522-R1526 PolarHBondContact OG-NH2 3.22Å |
| 1523 | I | 45 | Very low | 43.2 | Very low | 75 Ų | 75 | 78.6 Ų | 78.6 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 172.8 | -66.2 | 170.4 | 0 | 0 | 0 | 109.7 | S1519 R1526 L1527 | S1519-I1523 PolarHBondContact O-N 3.25Å; I1523-R1526 PolarHBondContact O-N 3.16Å; I1523-L1527 HydrophobicContact CG2-CD1 3.83Å; I1523-L1527 HydrophobicContact CG2-CG 4.38Å; I1523-L1527 VanDerWaalsContact O-CB 3.31Å; I1523-L1527 WeakPolarHBondContact O-CB 3.4Å; I1523-L1527 WeakPolarHBondContact O-CD1 3.43Å; I1523-L1527 WeakPolarHBondContact O-CG 3.48Å; I1523-L1527 PolarHBondContact O-N 3.45Å |
| 1524 | A | 44.1 | Very low | 44.5 | Very low | 49 Ų | 49 | 81.3 Ų | 81.3 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1520 V1521 L1527 C1528 | P1520-A1524 VanDerWaalsContact O-CB 3.24Å; P1520-A1524 WeakPolarHBondContact O-CB 3.4Å; P1520-A1524 PolarHBondContact O-N 3.32Å; V1521-A1524 PolarHBondContact O-N 3.4Å; A1524-L1527 PolarHBondContact O-N 3.19Å; A1524-C1528 PolarHBondContact O-N 2.76Å |
| 1525 | L | 48.2 | Very low | 45.7 | Very low | 46 Ų | 46 | 82 Ų | 82 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 177.1 | -125.2 | 102.2 | 0 | 0 | 0 | 112.1 | V1521 S1522 C1528 I1529 F1572 F1591 | V1521-L1525 PolarHBondContact O-N 2.77Å; S1522-L1525 PolarHBondContact O-N 3.35Å; L1525-C1528 PolarHBondContact O-N 3.31Å; L1525-I1529 HydrophobicContact CD2-CD1 4.36Å; L1525-I1529 VanDerWaalsContact O-CG1 3.31Å; L1525-I1529 WeakPolarHBondContact O-CG1 3.38Å; L1525-I1529 PolarHBondContact O-N 3.2Å; L1525-F1572 HydrophobicContact CD1-CE1 3.82Å; L1525-F1572 HydrophobicContact CD1-CZ 3.81Å; L1525-F1591 HydrophobicContact CD1-CE2 4.43Å; L1525-F1591 HydrophobicContact CD2-CD2 3.99Å; L1525-F1591 HydrophobicContact CD2-CE2 3.89Å |
| 1526 | R | 49 | Very low | 46.7 | Very low | 117 Ų | 117 | 79.1 Ų | 79.1 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 176.3 | -74.1 | 174.6 | -150.4 | -95.7 | -12.8 | 112.6 | S1522 I1523 I1529 N1530 | S1522-R1526 WeakPolarHBondContact O-CB 3.48Å; S1522-R1526 WeakPolarHBondContact O-CG 3.36Å; S1522-R1526 PolarHBondContact O-N 3.41Å; S1522-R1526 PolarHBondContact OG-NE 3.23Å; S1522-R1526 PolarHBondContact OG-NH2 3.22Å; I1523-R1526 PolarHBondContact O-N 3.16Å; R1526-I1529 PolarHBondContact O-N 3.36Å; R1526-N1530 VanDerWaalsContact O-CB 3.24Å; R1526-N1530 WeakPolarHBondContact O-CB 3.31Å; R1526-N1530 PolarHBondContact O-N 3.22Å; R1526-N1530 PolarHBondContact O-ND2 3.33Å |
| 1527 | L | 48.2 | Very low | 48 | Very low | 101 Ų | 101 | 79.3 Ų | 79.3 | 53% | 0.529 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 173.7 | -75.3 | 168.4 | 0 | 0 | 0 | 111.2 | I1523 A1524 Q1531 | I1523-L1527 HydrophobicContact CG2-CD1 3.83Å; I1523-L1527 HydrophobicContact CG2-CG 4.38Å; I1523-L1527 VanDerWaalsContact O-CB 3.31Å; I1523-L1527 WeakPolarHBondContact O-CB 3.4Å; I1523-L1527 WeakPolarHBondContact O-CD1 3.43Å; I1523-L1527 WeakPolarHBondContact O-CG 3.48Å; I1523-L1527 PolarHBondContact O-N 3.45Å; A1524-L1527 PolarHBondContact O-N 3.19Å; L1527-Q1531 WeakPolarHBondContact O-CB 3.1Å; L1527-Q1531 PolarHBondContact O-N 3.5Å |
| 1528 | C | 50.9 | Low | 49.2 | Very low | 51 Ų | 51 | 80.9 Ų | 80.9 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 172.8 | -89.2 | 0 | 0 | 0 | 0 | 112.4 | A1524 L1525 Q1531 I1532 | A1524-C1528 PolarHBondContact O-N 2.76Å; L1525-C1528 PolarHBondContact O-N 3.31Å; C1528-Q1531 PolarHBondContact O-N 3.32Å; C1528-I1532 WeakPolarHBondContact O-CB 3.11Å; C1528-I1532 VanDerWaalsContact O-CG1 3.24Å; C1528-I1532 WeakPolarHBondContact O-CG1 3.46Å; C1528-I1532 PolarHBondContact O-N 3.12Å |
| 1529 | I | 52.2 | Low | 50 | Low | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.1 | -70.5 | 167.5 | 0 | 0 | 0 | 110.8 | L1525 R1526 I1532 Q1533 D1594 I1598 | L1525-I1529 HydrophobicContact CD2-CD1 4.36Å; L1525-I1529 VanDerWaalsContact O-CG1 3.31Å; L1525-I1529 WeakPolarHBondContact O-CG1 3.38Å; L1525-I1529 PolarHBondContact O-N 3.2Å; R1526-I1529 PolarHBondContact O-N 3.36Å; I1529-I1532 PolarHBondContact O-N 2.88Å; I1529-Q1533 HydrophobicContact CG2-CG 4.42Å; I1529-Q1533 WeakPolarHBondContact O-CB 3.38Å; I1529-Q1533 WeakPolarHBondContact O-CG 3.45Å; I1529-Q1533 PolarHBondContact O-N 2.9Å; I1529-D1594 HydrophobicContact CD1-CB 4.28Å; I1529-I1598 HydrophobicContact CG1-CD1 4.33Å |
| 1530 | N | 52.4 | Low | 50.9 | Low | 87 Ų | 87 | 75 Ų | 75 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 177.2 | -74.4 | -15.3 | 0 | 0 | 0 | 111.9 | R1526 Q1533 E1534 | R1526-N1530 VanDerWaalsContact O-CB 3.24Å; R1526-N1530 WeakPolarHBondContact O-CB 3.31Å; R1526-N1530 PolarHBondContact O-N 3.22Å; R1526-N1530 PolarHBondContact O-ND2 3.33Å; N1530-Q1533 PolarHBondContact O-N 2.92Å; N1530-E1534 WeakPolarHBondContact O-CB 3.24Å; N1530-E1534 PolarHBondContact O-N 2.87Å |
| 1531 | Q | 55.3 | Low | 52.1 | Low | 132 Ų | 132 | 76.3 Ų | 76.3 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 173.9 | -92 | 178.4 | -28.8 | 0 | 0 | 112.3 | L1527 C1528 E1534 Y1535 | L1527-Q1531 WeakPolarHBondContact O-CB 3.1Å; L1527-Q1531 PolarHBondContact O-N 3.5Å; C1528-Q1531 PolarHBondContact O-N 3.32Å; Q1531-E1534 PolarHBondContact O-N 3.4Å; Q1531-Y1535 VanDerWaalsContact O-CB 3.31Å; Q1531-Y1535 WeakPolarHBondContact O-CB 3.42Å; Q1531-Y1535 PolarHBondContact O-N 2.82Å |
| 1532 | I | 53.4 | Low | 52.8 | Low | 72 Ų | 72 | 76.2 Ų | 76.2 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.8 | -70.8 | 166.3 | 0 | 0 | 0 | 109.8 | C1528 I1529 Y1535 L1536 | C1528-I1532 WeakPolarHBondContact O-CB 3.11Å; C1528-I1532 VanDerWaalsContact O-CG1 3.24Å; C1528-I1532 WeakPolarHBondContact O-CG1 3.46Å; C1528-I1532 PolarHBondContact O-N 3.12Å; I1529-I1532 PolarHBondContact O-N 2.88Å; I1532-Y1535 PolarHBondContact O-N 3.19Å; I1532-L1536 HydrophobicContact CG2-CD1 3.6Å; I1532-L1536 HydrophobicContact CG2-CG 4.31Å; I1532-L1536 WeakPolarHBondContact O-CB 3.49Å; I1532-L1536 VanDerWaalsContact O-CD1 3.27Å; I1532-L1536 WeakPolarHBondContact O-CD1 3.42Å; I1532-L1536 WeakPolarHBondContact O-CG 3.33Å; I1532-L1536 PolarHBondContact O-N 3.31Å |
| 1533 | Q | 52.9 | Low | 53.4 | Low | 110 Ų | 110 | 78 Ų | 78 | 51% | 0.514 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.7 | -76 | 179.6 | -14.9 | 0 | 0 | 112.6 | I1529 N1530 Y1535 L1536 V1537 | I1529-Q1533 HydrophobicContact CG2-CG 4.42Å; I1529-Q1533 WeakPolarHBondContact O-CB 3.38Å; I1529-Q1533 WeakPolarHBondContact O-CG 3.45Å; I1529-Q1533 PolarHBondContact O-N 2.9Å; N1530-Q1533 PolarHBondContact O-N 2.92Å; Q1533-Y1535 PolarHBondContact O-N 3.42Å; Q1533-L1536 PolarHBondContact O-N 2.92Å; Q1533-V1537 VanDerWaalsContact O-CG2 3.31Å; Q1533-V1537 WeakPolarHBondContact O-CG2 3.5Å; Q1533-V1537 PolarHBondContact O-N 3.38Å |
| 1534 | E | 56.7 | Low | 54.1 | Low | 128 Ų | 128 | 82.7 Ų | 82.7 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.8 | -44 | 174 | -86.4 | -168.4 | 142.3 | 0 | 0 | 112 | N1530 Q1531 L1536 V1537 Q1538 | N1530-E1534 WeakPolarHBondContact O-CB 3.24Å; N1530-E1534 PolarHBondContact O-N 2.87Å; Q1531-E1534 PolarHBondContact O-N 3.4Å; E1534-L1536 VanDerWaalsContact C-N 3.33Å; E1534-L1536 PolarHBondContact O-N 2.9Å; E1534-V1537 PolarHBondContact O-N 2.93Å; E1534-Q1538 WeakPolarHBondContact O-CG 3.49Å; E1534-Q1538 PolarHBondContact O-N 3.14Å |
| 1535 | Y | 55.4 | Low | 54.9 | Low | 92 Ų | 92 | 83.9 Ų | 83.9 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 179.4 | -162.5 | -94.9 | 0 | 0 | 0 | 111.6 | Q1531 I1532 Q1533 Q1538 L1539 L1561 | Q1531-Y1535 VanDerWaalsContact O-CB 3.31Å; Q1531-Y1535 WeakPolarHBondContact O-CB 3.42Å; Q1531-Y1535 PolarHBondContact O-N 2.82Å; I1532-Y1535 PolarHBondContact O-N 3.19Å; Q1533-Y1535 PolarHBondContact O-N 3.42Å; Y1535-Q1538 PolarHBondContact O-N 2.99Å; Y1535-L1539 HydrophobicContact CD1-CD1 4.47Å; Y1535-L1539 HydrophobicContact CE1-CD1 3.94Å; Y1535-L1539 WeakPolarHBondContact O-CB 3.26Å; Y1535-L1539 PolarHBondContact O-N 3.17Å; Y1535-L1561 HydrophobicContact CD1-CD1 4.21Å; Y1535-L1561 HydrophobicContact CE1-CD1 3.52Å |
| 1536 | L | 53.3 | Low | 55.5 | Low | 40 Ų | 40 | 86.5 Ų | 86.5 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.8 | -36.5 | 175.7 | -66.9 | 160.6 | 0 | 0 | 0 | 112.6 | I1532 Q1533 E1534 L1539 G1540 V1601 F1605 | I1532-L1536 HydrophobicContact CG2-CD1 3.6Å; I1532-L1536 HydrophobicContact CG2-CG 4.31Å; I1532-L1536 WeakPolarHBondContact O-CB 3.49Å; I1532-L1536 VanDerWaalsContact O-CD1 3.27Å; I1532-L1536 WeakPolarHBondContact O-CD1 3.42Å; I1532-L1536 WeakPolarHBondContact O-CG 3.33Å; I1532-L1536 PolarHBondContact O-N 3.31Å; Q1533-L1536 PolarHBondContact O-N 2.92Å; E1534-L1536 VanDerWaalsContact C-N 3.33Å; E1534-L1536 PolarHBondContact O-N 2.9Å; L1536-L1539 PolarHBondContact O-N 3.5Å; L1536-G1540 PolarHBondContact O-N 2.9Å; L1536-V1601 HydrophobicContact CD1-CG1 3.3Å; L1536-V1601 HydrophobicContact CD2-CG1 3.69Å; L1536-V1601 HydrophobicContact CG-CG1 4.13Å; L1536-F1605 HydrophobicContact CD2-CD2 3.88Å; L1536-F1605 HydrophobicContact CD2-CE2 3.45Å; L1536-F1605 VanDerWaalsContact CD2-CE2 3.45Å; L1536-F1605 HydrophobicContact CD2-CZ 3.97Å |
| 1537 | V | 59.3 | Low | 55.5 | Low | 85 Ų | 85 | 83.3 Ų | 83.3 | 52% | 0.515 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 172.5 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Q1533 E1534 G1540 K1541 | Q1533-V1537 VanDerWaalsContact O-CG2 3.31Å; Q1533-V1537 WeakPolarHBondContact O-CG2 3.5Å; Q1533-V1537 PolarHBondContact O-N 3.38Å; E1534-V1537 PolarHBondContact O-N 2.93Å; V1537-G1540 PolarHBondContact O-N 3.46Å; V1537-K1541 HydrophobicContact CG1-CD 4.49Å; V1537-K1541 WeakPolarHBondContact O-CG 3.35Å; V1537-K1541 PolarHBondContact O-N 2.87Å |
| 1538 | Q | 59.6 | Low | 55.9 | Low | 105 Ų | 105 | 86.5 Ų | 86.5 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 172.6 | -72 | -177.1 | 16.1 | 0 | 0 | 111.6 | E1534 Y1535 G1540 K1541 I1542 | E1534-Q1538 WeakPolarHBondContact O-CG 3.49Å; E1534-Q1538 PolarHBondContact O-N 3.14Å; Y1535-Q1538 PolarHBondContact O-N 2.99Å; Q1538-G1540 VanDerWaalsContact C-N 3.34Å; Q1538-G1540 PolarHBondContact O-N 3.31Å; Q1538-K1541 PolarHBondContact O-N 3.27Å; Q1538-I1542 VanDerWaalsContact O-CG1 3.25Å; Q1538-I1542 WeakPolarHBondContact O-CG1 3.37Å; Q1538-I1542 PolarHBondContact O-N 2.92Å |
| 1539 | L | 54.9 | Low | 56.3 | Low | 24 Ų | 24 | 92 Ų | 92 | 13% | 0.126 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.3 | -145.9 | 90 | 0 | 0 | 0 | 111.1 | Y1535 L1536 K1541 I1542 L1543 V1557 F1605 | Y1535-L1539 HydrophobicContact CD1-CD1 4.47Å; Y1535-L1539 HydrophobicContact CE1-CD1 3.94Å; Y1535-L1539 WeakPolarHBondContact O-CB 3.26Å; Y1535-L1539 PolarHBondContact O-N 3.17Å; L1536-L1539 PolarHBondContact O-N 3.5Å; L1539-K1541 PolarHBondContact O-N 3.02Å; L1539-I1542 PolarHBondContact O-N 2.76Å; L1539-L1543 HydrophobicContact CD2-CD1 4.07Å; L1539-L1543 HydrophobicContact CG-CD1 4.27Å; L1539-L1543 VanDerWaalsContact O-CB 3.27Å; L1539-L1543 WeakPolarHBondContact O-CB 3.4Å; L1539-L1543 WeakPolarHBondContact O-CD1 3.27Å; L1539-L1543 WeakPolarHBondContact O-CG 3.49Å; L1539-L1543 PolarHBondContact O-N 3.49Å; L1539-V1557 HydrophobicContact CD1-CG1 3.91Å; L1539-V1557 HydrophobicContact CD1-CG2 4.36Å; L1539-F1605 HydrophobicContact CD2-CD1 3.89Å; L1539-F1605 HydrophobicContact CD2-CE1 3.89Å |
| 1540 | G | 56.9 | Low | 56.4 | Low | 27 Ų | 27 | 94.1 Ų | 94.1 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1536 V1537 Q1538 Q1544 | L1536-G1540 PolarHBondContact O-N 2.9Å; V1537-G1540 PolarHBondContact O-N 3.46Å; Q1538-G1540 VanDerWaalsContact C-N 3.34Å; Q1538-G1540 PolarHBondContact O-N 3.31Å; G1540-Q1544 WeakPolarHBondContact O-CB 3.42Å; G1540-Q1544 WeakPolarHBondContact O-CG 3.47Å; G1540-Q1544 PolarHBondContact O-N 3.35Å |
| 1541 | K | 61.2 | Low | 56.6 | Low | 140 Ų | 140 | 96.4 Ų | 96.4 | 61% | 0.609 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.1 | -40.9 | 173.4 | -72.6 | 174.3 | -178.5 | 176.7 | 0 | 112.3 | V1537 Q1538 L1539 Q1544 S1545 | V1537-K1541 HydrophobicContact CG1-CD 4.49Å; V1537-K1541 WeakPolarHBondContact O-CG 3.35Å; V1537-K1541 PolarHBondContact O-N 2.87Å; Q1538-K1541 PolarHBondContact O-N 3.27Å; L1539-K1541 PolarHBondContact O-N 3.02Å; K1541-Q1544 PolarHBondContact O-N 2.45Å; K1541-S1545 WeakPolarHBondContact O-CB 3.43Å; K1541-S1545 PolarHBondContact O-N 2.91Å; K1541-S1545 VanDerWaalsContact O-N 3.11Å; K1541-S1545 PolarHBondContact O-OG 3.42Å |
| 1542 | I | 57.7 | Low | 56.9 | Low | 76 Ų | 76 | 96 Ų | 96 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.9 | -68.4 | 164.8 | 0 | 0 | 0 | 110.2 | Q1538 L1539 S1545 H1546 V1553 | Q1538-I1542 VanDerWaalsContact O-CG1 3.25Å; Q1538-I1542 WeakPolarHBondContact O-CG1 3.37Å; Q1538-I1542 PolarHBondContact O-N 2.92Å; L1539-I1542 PolarHBondContact O-N 2.76Å; I1542-S1545 PolarHBondContact O-N 2.86Å; I1542-S1545 VanDerWaalsContact O-N 3.11Å; I1542-S1545 PolarHBondContact O-OG 3.43Å; I1542-H1546 PolarHBondContact O-N 3.31Å; I1542-H1546 VanDerWaalsContact O-N 3.16Å; I1542-V1553 HydrophobicContact CG2-CG1 4.37Å |
| 1543 | L | 54.8 | Low | 57.1 | Low | 53 Ų | 53 | 94 Ų | 94 | 28% | 0.277 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 176.7 | -72.5 | 166.4 | 0 | 0 | 0 | 112.3 | L1539 S1545 F1605 | L1539-L1543 HydrophobicContact CD2-CD1 4.07Å; L1539-L1543 HydrophobicContact CG-CD1 4.27Å; L1539-L1543 VanDerWaalsContact O-CB 3.27Å; L1539-L1543 WeakPolarHBondContact O-CB 3.4Å; L1539-L1543 WeakPolarHBondContact O-CD1 3.27Å; L1539-L1543 WeakPolarHBondContact O-CG 3.49Å; L1539-L1543 PolarHBondContact O-N 3.49Å; L1543-S1545 VanDerWaalsContact C-N 3.29Å; L1543-S1545 PolarHBondContact O-N 3.35Å; L1543-F1605 HydrophobicContact CD1-CD1 4.37Å; L1543-F1605 HydrophobicContact CD1-CE1 3.98Å |
| 1544 | Q | 60.1 | Low | 57.2 | Low | 172 Ų | 172 | 91.6 Ų | 91.6 | 80% | 0.804 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -26.8 | 171.8 | -83.2 | 179.5 | -11.4 | 0 | 0 | 113.2 | G1540 K1541 | G1540-Q1544 WeakPolarHBondContact O-CB 3.42Å; G1540-Q1544 WeakPolarHBondContact O-CG 3.47Å; G1540-Q1544 PolarHBondContact O-N 3.35Å; K1541-Q1544 PolarHBondContact O-N 2.45Å |
| 1545 | S | 61.1 | Low | 57.4 | Low | 75 Ų | 75 | 89.2 Ų | 89.2 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -89.5 | -14.8 | -178.3 | 75.8 | 0 | 0 | 0 | 0 | 115 | K1541 I1542 L1543 | K1541-S1545 WeakPolarHBondContact O-CB 3.43Å; K1541-S1545 PolarHBondContact O-N 2.91Å; K1541-S1545 VanDerWaalsContact O-N 3.11Å; K1541-S1545 PolarHBondContact O-OG 3.42Å; I1542-S1545 PolarHBondContact O-N 2.86Å; I1542-S1545 VanDerWaalsContact O-N 3.11Å; I1542-S1545 PolarHBondContact O-OG 3.43Å; L1543-S1545 VanDerWaalsContact C-N 3.29Å; L1543-S1545 PolarHBondContact O-N 3.35Å |
| 1546 | H | 59.8 | Low | 57.5 | Low | 100 Ų | 100 | 88.6 Ų | 88.6 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | trans | -125 | 43.8 | -171.5 | -74.6 | -10.1 | 0 | 0 | 0 | 113.8 | I1542 N1548 R1549 | I1542-H1546 PolarHBondContact O-N 3.31Å; I1542-H1546 VanDerWaalsContact O-N 3.16Å; H1546-N1548 PolarHBondContact O-N 3.29Å; H1546-R1549 PolarHBondContact O-N 2.98Å | ||
| 1547 | G | 48.4 | Very low | 57.5 | Low | 51 Ų | 51 | 88.1 Ų | 88.1 | 53% | 0.526 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -3.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1548 | N | 56.7 | Low | 57.3 | Low | 168 Ų | 168 | 85.8 Ų | 85.8 | 90% | 0.898 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 0.8 | 177.4 | -68.9 | -26.1 | 0 | 0 | 0 | 115 | H1546 | H1546-N1548 PolarHBondContact O-N 3.29Š|
| 1549 | R | 60.5 | Low | 57.1 | Low | 165 Ų | 165 | 87.5 Ų | 87.5 | 62% | 0.623 | 47% | 0.467 | S | S | * | . | trans | -120.3 | 19.9 | -178.6 | -79.9 | -171.9 | 156.6 | -179.4 | -5.5 | 114.2 | H1546 N1551 E1552 V1553 | H1546-R1549 PolarHBondContact O-N 2.98Å; R1549-N1551 VanDerWaalsContact C-N 3.25Å; R1549-N1551 PolarHBondContact O-N 3.31Å; R1549-N1551 VanDerWaalsContact O-N 3.1Å; R1549-E1552 IonicContact CZ-OE2 3.39Å; R1549-E1552 IonicContact NE-OE2 2.7Å; R1549-E1552 PolarHBondContact NE-OE2 3.29Å; R1549-E1552 PolarHBondContact O-N 2.83Å; R1549-V1553 HydrophobicContact CB-CG2 4.4Å; R1549-V1553 WeakPolarHBondContact O-CG2 3.3Å; R1549-V1553 PolarHBondContact O-N 3.33Å | ||
| 1550 | I | 54.5 | Low | 57 | Low | 75 Ų | 75 | 88.2 Ų | 88.2 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -49.8 | -40.9 | -173.6 | -74.4 | 170.1 | 0 | 0 | 0 | 112.7 | I1554 | I1550-I1554 HydrophobicContact CG2-CD1 3.41Å; I1550-I1554 VanDerWaalsContact CG2-CD1 3.41Å; I1550-I1554 HydrophobicContact CG2-CG1 4.28Å; I1550-I1554 WeakPolarHBondContact O-CB 3.45Å; I1550-I1554 WeakPolarHBondContact O-CD1 3.46Å; I1550-I1554 WeakPolarHBondContact O-CG1 3.27Å; I1550-I1554 PolarHBondContact O-N 3.11Å |
| 1551 | N | 56.9 | Low | 56.6 | Low | 135 Ų | 135 | 89.3 Ų | 89.3 | 72% | 0.722 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.3 | -35 | -179.5 | -70.1 | -26.5 | 0 | 0 | 0 | 114.3 | R1549 S1555 | R1549-N1551 VanDerWaalsContact C-N 3.25Å; R1549-N1551 PolarHBondContact O-N 3.31Å; R1549-N1551 VanDerWaalsContact O-N 3.1Å; N1551-S1555 WeakPolarHBondContact O-CB 3.36Å; N1551-S1555 PolarHBondContact O-N 2.84Å |
| 1552 | E | 60.8 | Low | 56.1 | Low | 124 Ų | 124 | 87.3 Ų | 87.3 | 58% | 0.579 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.1 | -38.3 | 176.7 | -71.6 | 178.5 | 165.1 | 0 | 0 | 111 | R1549 S1555 S1556 | R1549-E1552 IonicContact CZ-OE2 3.39Å; R1549-E1552 IonicContact NE-OE2 2.7Å; R1549-E1552 PolarHBondContact NE-OE2 3.29Å; R1549-E1552 PolarHBondContact O-N 2.83Å; E1552-S1555 PolarHBondContact O-N 2.91Å; E1552-S1556 VanDerWaalsContact O-CB 3.3Å; E1552-S1556 WeakPolarHBondContact O-CB 3.5Å; E1552-S1556 PolarHBondContact O-N 3.49Å |
| 1553 | V | 58.5 | Low | 56 | Low | 30 Ų | 30 | 91.5 Ų | 91.5 | 18% | 0.182 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 175 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | I1542 R1549 S1555 S1556 V1557 | I1542-V1553 HydrophobicContact CG2-CG1 4.37Å; R1549-V1553 HydrophobicContact CB-CG2 4.4Å; R1549-V1553 WeakPolarHBondContact O-CG2 3.3Å; R1549-V1553 PolarHBondContact O-N 3.33Å; V1553-S1555 VanDerWaalsContact C-N 3.34Å; V1553-S1555 PolarHBondContact O-N 3.42Å; V1553-S1556 PolarHBondContact O-N 3.37Å; V1553-V1557 HydrophobicContact CG1-CG2 4.02Å; V1553-V1557 WeakPolarHBondContact O-CB 3.27Å; V1553-V1557 WeakPolarHBondContact O-CG2 3.43Å; V1553-V1557 PolarHBondContact O-N 2.71Å |
| 1554 | I | 55.1 | Low | 55.8 | Low | 58 Ų | 58 | 95.1 Ų | 95.1 | 30% | 0.297 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.8 | -73.8 | 169.5 | 0 | 0 | 0 | 111.7 | I1550 N1558 | I1550-I1554 HydrophobicContact CG2-CD1 3.41Å; I1550-I1554 VanDerWaalsContact CG2-CD1 3.41Å; I1550-I1554 HydrophobicContact CG2-CG1 4.28Å; I1550-I1554 WeakPolarHBondContact O-CB 3.45Å; I1550-I1554 WeakPolarHBondContact O-CD1 3.46Å; I1550-I1554 WeakPolarHBondContact O-CG1 3.27Å; I1550-I1554 PolarHBondContact O-N 3.11Å; I1554-N1558 WeakPolarHBondContact O-CB 3.33Å; I1554-N1558 PolarHBondContact O-N 3.4Å; I1554-N1558 PolarHBondContact O-ND2 3.17Å |
| 1555 | S | 59.4 | Low | 55.3 | Low | 78 Ų | 78 | 91.6 Ų | 91.6 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.5 | -41.9 | 179.3 | -155.6 | 0 | 0 | 0 | 0 | 112.4 | N1551 E1552 V1553 Q1559 | N1551-S1555 WeakPolarHBondContact O-CB 3.36Å; N1551-S1555 PolarHBondContact O-N 2.84Å; E1552-S1555 PolarHBondContact O-N 2.91Å; V1553-S1555 VanDerWaalsContact C-N 3.34Å; V1553-S1555 PolarHBondContact O-N 3.42Å; S1555-Q1559 PolarHBondContact O-N 2.99Å |
| 1556 | S | 57.5 | Low | 54.6 | Low | 79 Ų | 79 | 91.1 Ų | 91.1 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.6 | -43 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | E1552 V1553 Q1559 S1560 | E1552-S1556 VanDerWaalsContact O-CB 3.3Å; E1552-S1556 WeakPolarHBondContact O-CB 3.5Å; E1552-S1556 PolarHBondContact O-N 3.49Å; V1553-S1556 PolarHBondContact O-N 3.37Å; S1556-Q1559 PolarHBondContact O-N 2.93Å; S1556-S1560 PolarHBondContact O-N 3.34Å |
| 1557 | V | 53.9 | Low | 54.2 | Low | 31 Ų | 31 | 90.6 Ų | 90.6 | 19% | 0.188 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 177 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | L1539 V1553 Q1559 S1560 L1561 | L1539-V1557 HydrophobicContact CD1-CG1 3.91Å; L1539-V1557 HydrophobicContact CD1-CG2 4.36Å; V1553-V1557 HydrophobicContact CG1-CG2 4.02Å; V1553-V1557 WeakPolarHBondContact O-CB 3.27Å; V1553-V1557 WeakPolarHBondContact O-CG2 3.43Å; V1553-V1557 PolarHBondContact O-N 2.71Å; V1557-Q1559 VanDerWaalsContact C-N 3.27Å; V1557-Q1559 PolarHBondContact O-N 3.41Å; V1557-S1560 PolarHBondContact O-N 3.45Å; V1557-L1561 HydrophobicContact CG1-CD1 4.46Å; V1557-L1561 WeakPolarHBondContact O-CB 3.24Å; V1557-L1561 PolarHBondContact O-N 2.93Å |
| 1558 | N | 54.4 | Low | 54.1 | Low | 35 Ų | 35 | 92.3 Ų | 92.3 | 19% | 0.187 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.3 | -35.1 | 176.6 | -86.2 | -28.8 | 0 | 0 | 0 | 112.8 | I1554 I1562 | I1554-N1558 WeakPolarHBondContact O-CB 3.33Å; I1554-N1558 PolarHBondContact O-N 3.4Å; I1554-N1558 PolarHBondContact O-ND2 3.17Å; N1558-I1562 WeakPolarHBondContact O-CB 3.5Å; N1558-I1562 VanDerWaalsContact O-CD1 3.28Å; N1558-I1562 WeakPolarHBondContact O-CD1 3.37Å; N1558-I1562 WeakPolarHBondContact O-CG1 3.39Å; N1558-I1562 PolarHBondContact O-N 3.4Å |
| 1559 | Q | 55.9 | Low | 53.9 | Low | 141 Ų | 141 | 87 Ų | 87 | 66% | 0.659 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.7 | -36.8 | 179 | -137 | 173.5 | 4.8 | 0 | 0 | 112.3 | S1555 S1556 V1557 Q1563 | S1555-Q1559 PolarHBondContact O-N 2.99Å; S1556-Q1559 PolarHBondContact O-N 2.93Å; V1557-Q1559 VanDerWaalsContact C-N 3.27Å; V1557-Q1559 PolarHBondContact O-N 3.41Å; Q1559-Q1563 PolarHBondContact O-N 3.43Å |
| 1560 | S | 53.9 | Low | 53.7 | Low | 39 Ų | 39 | 83.1 Ų | 83.1 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.2 | -34.8 | 177.3 | -168 | 0 | 0 | 0 | 0 | 113 | S1556 V1557 Q1563 Q1564 | S1556-S1560 PolarHBondContact O-N 3.34Å; V1557-S1560 PolarHBondContact O-N 3.45Å; S1560-Q1563 PolarHBondContact O-N 3.09Å; S1560-Q1564 VanDerWaalsContact O-CB 3.24Å; S1560-Q1564 WeakPolarHBondContact O-CB 3.49Å; S1560-Q1564 VanDerWaalsContact O-CG 3.25Å; S1560-Q1564 WeakPolarHBondContact O-CG 3.37Å; S1560-Q1564 PolarHBondContact O-N 3.04Å; S1560-Q1564 PolarHBondContact OG-NE2 3.16Å |
| 1561 | L | 48.5 | Very low | 53.7 | Low | 50 Ų | 50 | 83.9 Ų | 83.9 | 26% | 0.262 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.8 | -34.5 | -179.5 | -149.1 | 84.9 | 0 | 0 | 0 | 111.9 | Y1535 V1557 L1565 | Y1535-L1561 HydrophobicContact CD1-CD1 4.21Å; Y1535-L1561 HydrophobicContact CE1-CD1 3.52Å; V1557-L1561 HydrophobicContact CG1-CD1 4.46Å; V1557-L1561 WeakPolarHBondContact O-CB 3.24Å; V1557-L1561 PolarHBondContact O-N 2.93Å; L1561-L1565 PolarHBondContact O-N 3.33Å |
| 1562 | I | 50.5 | Low | 53.4 | Low | 98 Ų | 98 | 80.4 Ų | 80.4 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.9 | -31.7 | 176.1 | -68.3 | 171.8 | 0 | 0 | 0 | 111.5 | N1558 P1611 | N1558-I1562 WeakPolarHBondContact O-CB 3.5Å; N1558-I1562 VanDerWaalsContact O-CD1 3.28Å; N1558-I1562 WeakPolarHBondContact O-CD1 3.37Å; N1558-I1562 WeakPolarHBondContact O-CG1 3.39Å; N1558-I1562 PolarHBondContact O-N 3.4Å; I1562-P1611 HydrophobicContact CD1-CG 4.46Å |
| 1563 | Q | 54.1 | Low | 53.1 | Low | 164 Ų | 164 | 76 Ų | 76 | 77% | 0.766 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -86.3 | -17.5 | 178.5 | -77.5 | -174.9 | -13.7 | 0 | 0 | 114.4 | Q1559 S1560 | Q1559-Q1563 PolarHBondContact O-N 3.43Å; S1560-Q1563 PolarHBondContact O-N 3.09Å |
| 1564 | Q | 51.7 | Low | 52.9 | Low | 130 Ų | 130 | 77.9 Ų | 77.9 | 61% | 0.607 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -109.3 | 3.1 | -176 | -66.4 | -174.8 | 3.8 | 0 | 0 | 114.3 | S1560 P1566 | S1560-Q1564 VanDerWaalsContact O-CB 3.24Å; S1560-Q1564 WeakPolarHBondContact O-CB 3.49Å; S1560-Q1564 VanDerWaalsContact O-CG 3.25Å; S1560-Q1564 WeakPolarHBondContact O-CG 3.37Å; S1560-Q1564 PolarHBondContact O-N 3.04Å; S1560-Q1564 PolarHBondContact OG-NE2 3.16Å; Q1564-P1566 VanDerWaalsContact O-CD 3.25Å; Q1564-P1566 WeakPolarHBondContact O-CD 3.36Å; Q1564-P1566 VanDerWaalsContact O-N 3.16Å |
| 1565 | L | 49 | Very low | 52.8 | Low | 97 Ų | 97 | 82.2 Ų | 82.2 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -63.1 | 115.2 | 165.3 | -144.5 | 82.7 | 0 | 0 | 0 | 107.4 | L1561 S1567 L1569 | L1561-L1565 PolarHBondContact O-N 3.33Å; L1565-S1567 PolarHBondContact O-N 3.06Å; L1565-L1569 HydrophobicContact CD2-CD2 4.18Å; L1565-L1569 HydrophobicContact CG-CD2 4.33Å |
| 1566 | P | 47.5 | Very low | 52.4 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | trans | -59 | 131.4 | -168.9 | -24.1 | 33.3 | 0 | 0 | 0 | 110.4 | Q1564 C1568 L1569 | Q1564-P1566 VanDerWaalsContact O-CD 3.25Å; Q1564-P1566 WeakPolarHBondContact O-CD 3.36Å; Q1564-P1566 VanDerWaalsContact O-N 3.16Å; P1566-C1568 HydrophobicContact CB-CB 3.89Å; P1566-C1568 PolarHBondContact O-N 3.35Å; P1566-L1569 WeakPolarHBondContact O-CB 3.46Å; P1566-L1569 PolarHBondContact O-N 2.97Å | ||
| 1567 | S | 51.1 | Low | 52 | Low | 88 Ų | 88 | 79.8 Ų | 79.8 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -45.6 | -29.2 | 163.1 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | L1565 L1569 M1570 D1571 | L1565-S1567 PolarHBondContact O-N 3.06Å; S1567-L1569 PolarHBondContact O-N 2.67Å; S1567-M1570 PolarHBondContact O-N 2.84Å; S1567-D1571 WeakPolarHBondContact O-CB 3.47Å; S1567-D1571 PolarHBondContact O-N 2.76Å |
| 1568 | C | 45.7 | Very low | 51.9 | Low | 88 Ų | 88 | 82.8 Ų | 82.8 | 60% | 0.595 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.1 | -35.2 | 173.3 | -47.5 | 0 | 0 | 0 | 0 | 114.5 | P1566 F1572 | P1566-C1568 HydrophobicContact CB-CB 3.89Å; P1566-C1568 PolarHBondContact O-N 3.35Å; C1568-F1572 WeakPolarHBondContact O-CB 3.49Å; C1568-F1572 PolarHBondContact O-N 3.31Å |
| 1569 | L | 51.8 | Low | 51.7 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.5 | -41 | 178.9 | -168.7 | 75 | 0 | 0 | 0 | 110.8 | L1565 P1566 S1567 F1572 I1573 | L1565-L1569 HydrophobicContact CD2-CD2 4.18Å; L1565-L1569 HydrophobicContact CG-CD2 4.33Å; P1566-L1569 WeakPolarHBondContact O-CB 3.46Å; P1566-L1569 PolarHBondContact O-N 2.97Å; S1567-L1569 PolarHBondContact O-N 2.67Å; L1569-F1572 PolarHBondContact O-N 3.07Å; L1569-I1573 HydrophobicContact CG-CD1 4.29Å; L1569-I1573 WeakPolarHBondContact O-CB 3.36Å; L1569-I1573 VanDerWaalsContact O-CG1 3.26Å; L1569-I1573 WeakPolarHBondContact O-CG1 3.32Å; L1569-I1573 PolarHBondContact O-N 3.19Å |
| 1570 | M | 56.2 | Low | 51 | Low | 83 Ų | 83 | 86.5 Ų | 86.5 | 41% | 0.409 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 173.9 | -73 | -67 | -78.3 | 0 | 0 | 111.7 | S1567 F1572 I1573 N1574 L1615 | S1567-M1570 PolarHBondContact O-N 2.84Å; M1570-F1572 VanDerWaalsContact C-N 3.31Å; M1570-F1572 PolarHBondContact O-N 2.91Å; M1570-I1573 PolarHBondContact O-N 3.48Å; M1570-N1574 VanDerWaalsContact O-CB 3.23Å; M1570-N1574 WeakPolarHBondContact O-CB 3.27Å; M1570-N1574 PolarHBondContact O-N 3.24Å; M1570-N1574 PolarHBondContact O-ND2 2.82Å; M1570-N1574 VanDerWaalsContact O-ND2 3.13Å; M1570-L1615 HydrophobicContact SD-CD1 4.04Å |
| 1571 | D | 55 | Low | 50.6 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 172.3 | -92.4 | 1.3 | 0 | 0 | 0 | 112.1 | S1567 K1575 | S1567-D1571 WeakPolarHBondContact O-CB 3.47Å; S1567-D1571 PolarHBondContact O-N 2.76Å; D1571-K1575 VanDerWaalsContact O-CB 3.26Å; D1571-K1575 WeakPolarHBondContact O-CB 3.43Å; D1571-K1575 VanDerWaalsContact O-CG 3.26Å; D1571-K1575 WeakPolarHBondContact O-CG 3.44Å; D1571-K1575 PolarHBondContact O-N 2.95Å |
| 1572 | F | 51.4 | Low | 50.3 | Low | 63 Ų | 63 | 90.2 Ų | 90.2 | 28% | 0.276 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -45.7 | 176.5 | 175.2 | -102 | 0 | 0 | 0 | 111.7 | V1521 L1525 C1568 L1569 M1570 K1575 M1576 | V1521-F1572 HydrophobicContact CG1-CE2 4.02Å; V1521-F1572 HydrophobicContact CG1-CZ 3.97Å; L1525-F1572 HydrophobicContact CD1-CE1 3.82Å; L1525-F1572 HydrophobicContact CD1-CZ 3.81Å; C1568-F1572 WeakPolarHBondContact O-CB 3.49Å; C1568-F1572 PolarHBondContact O-N 3.31Å; L1569-F1572 PolarHBondContact O-N 3.07Å; M1570-F1572 VanDerWaalsContact C-N 3.31Å; M1570-F1572 PolarHBondContact O-N 2.91Å; F1572-K1575 PolarHBondContact O-N 2.75Å; F1572-M1576 HydrophobicContact CE1-CE 4.48Å; F1572-M1576 HydrophobicContact CE1-CG 4.28Å; F1572-M1576 HydrophobicContact CE2-CG 4.32Å; F1572-M1576 HydrophobicContact CZ-CG 4.11Å; F1572-M1576 HydrophobicContact CZ-SD 4.34Å; F1572-M1576 WeakPolarHBondContact O-CB 3.47Å; F1572-M1576 WeakPolarHBondContact O-CG 3.27Å; F1572-M1576 PolarHBondContact O-N 3.08Å |
| 1573 | I | 53.7 | Low | 50 | Low | 30 Ų | 30 | 88.1 Ų | 88.1 | 15% | 0.154 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.9 | -68.2 | 167.8 | 0 | 0 | 0 | 110.3 | L1569 M1570 K1575 M1576 C1577 L1615 | L1569-I1573 HydrophobicContact CG-CD1 4.29Å; L1569-I1573 WeakPolarHBondContact O-CB 3.36Å; L1569-I1573 VanDerWaalsContact O-CG1 3.26Å; L1569-I1573 WeakPolarHBondContact O-CG1 3.32Å; L1569-I1573 PolarHBondContact O-N 3.19Å; M1570-I1573 PolarHBondContact O-N 3.48Å; I1573-K1575 PolarHBondContact O-N 3.36Å; I1573-M1576 PolarHBondContact O-N 3.44Å; I1573-C1577 WeakPolarHBondContact O-CB 3.46Å; I1573-C1577 PolarHBondContact O-N 3.43Å; I1573-C1577 PolarHBondContact O-SG 2.74Å; I1573-L1615 HydrophobicContact CD1-CD1 4.18Å |
| 1574 | N | 54.4 | Low | 49.6 | Very low | 71 Ų | 71 | 84.9 Ų | 84.9 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 176.3 | -75.6 | -29.2 | 0 | 0 | 0 | 112.1 | M1570 S1578 | M1570-N1574 VanDerWaalsContact O-CB 3.23Å; M1570-N1574 WeakPolarHBondContact O-CB 3.27Å; M1570-N1574 PolarHBondContact O-N 3.24Å; M1570-N1574 PolarHBondContact O-ND2 2.82Å; M1570-N1574 VanDerWaalsContact O-ND2 3.13Å; N1574-S1578 WeakPolarHBondContact O-CB 3.38Å; N1574-S1578 PolarHBondContact O-N 2.92Å; N1574-S1578 PolarHBondContact O-OG 2.9Å |
| 1575 | K | 54.1 | Low | 49.4 | Very low | 149 Ų | 149 | 81.3 Ų | 81.3 | 65% | 0.648 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.8 | -34.4 | 176.5 | -79.1 | 174.5 | -179.3 | 171.6 | 0 | 113.2 | D1571 F1572 I1573 S1578 S1579 | D1571-K1575 VanDerWaalsContact O-CB 3.26Å; D1571-K1575 WeakPolarHBondContact O-CB 3.43Å; D1571-K1575 VanDerWaalsContact O-CG 3.26Å; D1571-K1575 WeakPolarHBondContact O-CG 3.44Å; D1571-K1575 PolarHBondContact O-N 2.95Å; F1572-K1575 PolarHBondContact O-N 2.75Å; I1573-K1575 PolarHBondContact O-N 3.36Å; K1575-S1578 WeakPolarHBondContact CA-OG 3.35Å; K1575-S1579 PolarHBondContact O-N 2.81Å |
| 1576 | M | 49.7 | Very low | 49.2 | Very low | 48 Ų | 48 | 80.1 Ų | 80.1 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.6 | -48.6 | 172.7 | -82.5 | -106.1 | -72.1 | 0 | 0 | 111.1 | F1572 I1573 S1578 S1579 I1584 V1585 F1591 | F1572-M1576 HydrophobicContact CE1-CE 4.48Å; F1572-M1576 HydrophobicContact CE1-CG 4.28Å; F1572-M1576 HydrophobicContact CE2-CG 4.32Å; F1572-M1576 HydrophobicContact CZ-CG 4.11Å; F1572-M1576 HydrophobicContact CZ-SD 4.34Å; F1572-M1576 WeakPolarHBondContact O-CB 3.47Å; F1572-M1576 WeakPolarHBondContact O-CG 3.27Å; F1572-M1576 PolarHBondContact O-N 3.08Å; I1573-M1576 PolarHBondContact O-N 3.44Å; M1576-S1578 PolarHBondContact O-N 2.91Å; M1576-S1579 PolarHBondContact O-N 3.43Å; M1576-S1579 PolarHBondContact O-OG 3.45Å; M1576-I1584 HydrophobicContact SD-CG2 4.27Å; M1576-V1585 HydrophobicContact CE-CG2 4.28Å; M1576-F1591 HydrophobicContact CE-CZ 4.33Å |
| 1577 | C | 49.9 | Very low | 49.1 | Very low | 58 Ų | 58 | 82.9 Ų | 82.9 | 39% | 0.392 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -16.4 | 179.4 | -67.7 | 0 | 0 | 0 | 0 | 114 | I1573 | I1573-C1577 WeakPolarHBondContact O-CB 3.46Å; I1573-C1577 PolarHBondContact O-N 3.43Å; I1573-C1577 PolarHBondContact O-SG 2.74Å |
| 1578 | S | 52 | Low | 49 | Very low | 93 Ų | 93 | 82.6 Ų | 82.6 | 65% | 0.65 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 2.2 | 175.8 | 47.9 | 0 | 0 | 0 | 0 | 114.5 | N1574 K1575 M1576 | N1574-S1578 WeakPolarHBondContact O-CB 3.38Å; N1574-S1578 PolarHBondContact O-N 2.92Å; N1574-S1578 PolarHBondContact O-OG 2.9Å; K1575-S1578 WeakPolarHBondContact CA-OG 3.35Å; M1576-S1578 PolarHBondContact O-N 2.91Å |
| 1579 | S | 50.5 | Low | 49.1 | Very low | 54 Ų | 54 | 82.8 Ų | 82.8 | 38% | 0.378 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -86.7 | 126.9 | 172.8 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | K1575 M1576 N1581 | K1575-S1579 PolarHBondContact O-N 2.81Å; M1576-S1579 PolarHBondContact O-N 3.43Å; M1576-S1579 PolarHBondContact O-OG 3.45Å; S1579-N1581 PolarHBondContact O-N 3.13Å |
| 1580 | Q | 39.7 | Very low | 49 | Very low | 200 Ų | 200 | 85.3 Ų | 85.3 | 94% | 0.935 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -71.2 | 24.9 | -172.4 | -70.3 | -175.3 | -18.8 | 0 | 0 | 115.3 | ||
| 1581 | N | 45.8 | Very low | 48.8 | Very low | 100 Ų | 100 | 84.3 Ų | 84.3 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | trans | -127.3 | 97.8 | -173.3 | -139.7 | -20.8 | 0 | 0 | 0 | 112.8 | S1579 S1583 | S1579-N1581 PolarHBondContact O-N 3.13Å; N1581-S1583 PolarHBondContact O-N 3Å; N1581-S1583 VanDerWaalsContact O-N 3.12Å; N1581-S1583 PolarHBondContact OD1-OG 2.94Å | ||
| 1582 | P | 41.7 | Very low | 48.8 | Very low | 67 Ų | 67 | 81.9 Ų | 81.9 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -0.9 | -171.3 | 27 | -33.1 | 0 | 0 | 0 | 115.3 | T1586 F1626 | P1582-T1586 WeakPolarHBondContact O-CG2 3.22Å; P1582-T1586 PolarHBondContact O-OG1 2.74Å; P1582-F1626 HydrophobicContact CB-CD1 4.48Å |
| 1583 | S | 44.6 | Very low | 49.1 | Very low | 54 Ų | 54 | 86 Ų | 86 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -81.1 | -18.6 | -175.9 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | N1581 | N1581-S1583 PolarHBondContact O-N 3Å; N1581-S1583 VanDerWaalsContact O-N 3.12Å; N1581-S1583 PolarHBondContact OD1-OG 2.94Å |
| 1584 | I | 46.1 | Very low | 49.2 | Very low | 96 Ų | 96 | 87.3 Ų | 87.3 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.6 | -27 | -175.1 | -63.3 | 173.3 | 0 | 0 | 0 | 112.1 | M1576 | M1576-I1584 HydrophobicContact SD-CG2 4.27Å |
| 1585 | V | 46.7 | Very low | 49.4 | Very low | 55 Ų | 55 | 86 Ų | 86 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -101.8 | -20.5 | -173.9 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | M1576 L1623 | M1576-V1585 HydrophobicContact CE-CG2 4.28Å; V1585-L1623 HydrophobicContact CG1-CD2 4Å |
| 1586 | T | 46.2 | Very low | 49.7 | Very low | 73 Ų | 73 | 80.8 Ų | 80.8 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -96.3 | -15.9 | -168.1 | 48.1 | 0 | 0 | 0 | 0 | 115.2 | P1582 | P1582-T1586 WeakPolarHBondContact O-CG2 3.22Å; P1582-T1586 PolarHBondContact O-OG1 2.74Å |
| 1587 | N | 45.4 | Very low | 50.1 | Low | 124 Ų | 124 | 81.6 Ų | 81.6 | 66% | 0.663 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -110.5 | 2.5 | -168.5 | -79.4 | -22.1 | 0 | 0 | 0 | 116.5 | ||
| 1588 | H | 49.3 | Very low | 50.5 | Low | 81 Ų | 81 | 81.6 Ų | 81.6 | 38% | 0.375 | 45% | 0.448 | S | S | . | . | trans | -117 | 100.8 | -174.7 | -75.3 | -67.6 | 0 | 0 | 0 | 113.4 | L1516 D1590 F1591 T1592 | L1516-H1588 WeakPolarHBondContact CD1-CE1 3.45Å; L1516-H1588 WeakPolarHBondContact CD1-NE2 3.23Å; H1588-D1590 PolarHBondContact O-N 3.07Å; H1588-D1590 VanDerWaalsContact O-N 3.15Å; H1588-F1591 HydrophobicContact CB-CB 4.11Å; H1588-F1591 PolarHBondContact O-N 3.22Å; H1588-T1592 PolarHBondContact O-N 3.44Å; H1588-T1592 PolarHBondContact O-OG1 3.27Å | ||
| 1589 | S | 46.2 | Very low | 50.9 | Low | 92 Ų | 92 | 79.3 Ų | 79.3 | 64% | 0.643 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -51.9 | -32.1 | 171.4 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | Y1593 | S1589-Y1593 VanDerWaalsContact O-CB 3.24Å; S1589-Y1593 WeakPolarHBondContact O-CB 3.44Å; S1589-Y1593 PolarHBondContact O-N 3.37Å |
| 1590 | D | 50.1 | Low | 51.3 | Low | 111 Ų | 111 | 80.3 Ų | 80.3 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -77 | -33.8 | -176.3 | -62.2 | -6.8 | 0 | 0 | 0 | 111.9 | H1588 Y1593 D1594 | H1588-D1590 PolarHBondContact O-N 3.07Å; H1588-D1590 VanDerWaalsContact O-N 3.15Å; D1590-Y1593 PolarHBondContact O-N 3.05Å; D1590-D1594 WeakPolarHBondContact O-CB 3.27Å; D1590-D1594 VanDerWaalsContact O-CG 3.29Å; D1590-D1594 PolarHBondContact O-N 3.5Å |
| 1591 | F | 52.5 | Low | 52.1 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.4 | -43.2 | 176.2 | -177 | -104.7 | 0 | 0 | 0 | 111.2 | L1525 M1576 H1588 Y1593 D1594 L1595 | L1525-F1591 HydrophobicContact CD1-CE2 4.43Å; L1525-F1591 HydrophobicContact CD2-CD2 3.99Å; L1525-F1591 HydrophobicContact CD2-CE2 3.89Å; M1576-F1591 HydrophobicContact CE-CZ 4.33Å; H1588-F1591 HydrophobicContact CB-CB 4.11Å; H1588-F1591 PolarHBondContact O-N 3.22Å; F1591-Y1593 VanDerWaalsContact C-N 3.32Å; F1591-Y1593 PolarHBondContact O-N 3.16Å; F1591-D1594 PolarHBondContact O-N 3.44Å; F1591-L1595 HydrophobicContact CD1-CD1 4.15Å; F1591-L1595 HydrophobicContact CE1-CD1 3.49Å; F1591-L1595 VanDerWaalsContact CE1-CD1 3.49Å; F1591-L1595 HydrophobicContact CE2-CD1 4.15Å; F1591-L1595 HydrophobicContact CZ-CD1 3.49Å; F1591-L1595 VanDerWaalsContact CZ-CD1 3.49Å; F1591-L1595 WeakPolarHBondContact O-CB 3.39Å; F1591-L1595 PolarHBondContact O-N 2.87Å |
| 1592 | T | 55.6 | Low | 52.7 | Low | 38 Ų | 38 | 71.3 Ų | 71.3 | 23% | 0.233 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 173.6 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | H1588 L1595 C1596 | H1588-T1592 PolarHBondContact O-N 3.44Å; H1588-T1592 PolarHBondContact O-OG1 3.27Å; T1592-L1595 PolarHBondContact O-N 3.4Å; T1592-C1596 WeakPolarHBondContact O-CB 3.41Å; T1592-C1596 PolarHBondContact O-N 3.49Å; T1592-C1596 PolarHBondContact O-SG 3.03Å |
| 1593 | Y | 56.5 | Low | 53.4 | Low | 149 Ų | 149 | 73.3 Ų | 73.3 | 58% | 0.584 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 176 | -176.2 | -100.4 | 0 | 0 | 0 | 112.5 | S1589 D1590 F1591 C1596 N1597 | S1589-Y1593 VanDerWaalsContact O-CB 3.24Å; S1589-Y1593 WeakPolarHBondContact O-CB 3.44Å; S1589-Y1593 PolarHBondContact O-N 3.37Å; D1590-Y1593 PolarHBondContact O-N 3.05Å; F1591-Y1593 VanDerWaalsContact C-N 3.32Å; F1591-Y1593 PolarHBondContact O-N 3.16Å; Y1593-C1596 PolarHBondContact O-N 2.74Å; Y1593-N1597 WeakPolarHBondContact CD1-ND2 3.4Å; Y1593-N1597 WeakPolarHBondContact CE1-ND2 3.5Å; Y1593-N1597 WeakPolarHBondContact O-CB 3.49Å; Y1593-N1597 PolarHBondContact O-N 3.3Å; Y1593-N1597 PolarHBondContact O-ND2 2.97Å |
| 1594 | D | 56.7 | Low | 54.1 | Low | 58 Ų | 58 | 75.9 Ų | 75.9 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 176.5 | -73.9 | -22.2 | 0 | 0 | 0 | 112.1 | I1529 D1590 F1591 N1597 I1598 | I1529-D1594 HydrophobicContact CD1-CB 4.28Å; D1590-D1594 WeakPolarHBondContact O-CB 3.27Å; D1590-D1594 VanDerWaalsContact O-CG 3.29Å; D1590-D1594 PolarHBondContact O-N 3.5Å; F1591-D1594 PolarHBondContact O-N 3.44Å; D1594-N1597 PolarHBondContact O-N 2.93Å; D1594-I1598 WeakPolarHBondContact O-CD1 3.4Å; D1594-I1598 VanDerWaalsContact O-CG1 3.24Å; D1594-I1598 WeakPolarHBondContact O-CG1 3.45Å; D1594-I1598 PolarHBondContact O-N 3.3Å |
| 1595 | L | 58.5 | Low | 54.5 | Low | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 173.2 | -130.3 | 115.9 | 0 | 0 | 0 | 111.6 | F1591 T1592 N1597 I1598 L1599 | F1591-L1595 HydrophobicContact CD1-CD1 4.15Å; F1591-L1595 HydrophobicContact CE1-CD1 3.49Å; F1591-L1595 VanDerWaalsContact CE1-CD1 3.49Å; F1591-L1595 HydrophobicContact CE2-CD1 4.15Å; F1591-L1595 HydrophobicContact CZ-CD1 3.49Å; F1591-L1595 VanDerWaalsContact CZ-CD1 3.49Å; F1591-L1595 WeakPolarHBondContact O-CB 3.39Å; F1591-L1595 PolarHBondContact O-N 2.87Å; T1592-L1595 PolarHBondContact O-N 3.4Å; L1595-N1597 VanDerWaalsContact C-N 3.34Å; L1595-N1597 PolarHBondContact O-N 3.43Å; L1595-I1598 PolarHBondContact O-N 2.82Å; L1595-L1599 HydrophobicContact CD2-CD1 4.24Å; L1595-L1599 WeakPolarHBondContact O-CB 3.25Å; L1595-L1599 VanDerWaalsContact O-CG 3.3Å; L1595-L1599 WeakPolarHBondContact O-CG 3.35Å; L1595-L1599 PolarHBondContact O-N 3.13Å |
| 1596 | C | 59.9 | Low | 54.8 | Low | 38 Ų | 38 | 80.5 Ų | 80.5 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 173.5 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | T1592 Y1593 L1599 C1600 | T1592-C1596 WeakPolarHBondContact O-CB 3.41Å; T1592-C1596 PolarHBondContact O-N 3.49Å; T1592-C1596 PolarHBondContact O-SG 3.03Å; Y1593-C1596 PolarHBondContact O-N 2.74Å; C1596-L1599 PolarHBondContact O-N 2.84Å; C1596-C1600 VanDerWaalsContact O-CB 3.28Å; C1596-C1600 WeakPolarHBondContact O-CB 3.37Å; C1596-C1600 PolarHBondContact O-N 2.93Å; C1596-C1600 PolarHBondContact O-SG 3.41Å; C1596-C1600 VanDerWaalsContact O-SG 3.35Å |
| 1597 | N | 57.7 | Low | 55.3 | Low | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 175.5 | -77.5 | -32.3 | 0 | 0 | 0 | 112 | Y1593 D1594 L1595 C1600 V1601 | Y1593-N1597 WeakPolarHBondContact CD1-ND2 3.4Å; Y1593-N1597 WeakPolarHBondContact CE1-ND2 3.5Å; Y1593-N1597 WeakPolarHBondContact O-CB 3.49Å; Y1593-N1597 PolarHBondContact O-N 3.3Å; Y1593-N1597 PolarHBondContact O-ND2 2.97Å; D1594-N1597 PolarHBondContact O-N 2.93Å; L1595-N1597 VanDerWaalsContact C-N 3.34Å; L1595-N1597 PolarHBondContact O-N 3.43Å; N1597-C1600 PolarHBondContact O-N 2.78Å; N1597-V1601 WeakPolarHBondContact O-CB 3.47Å; N1597-V1601 WeakPolarHBondContact O-CG2 3.5Å; N1597-V1601 PolarHBondContact O-N 3.36Å |
| 1598 | I | 58.2 | Low | 55.8 | Low | 58 Ų | 58 | 76.8 Ų | 76.8 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.3 | -67.7 | 163.8 | 0 | 0 | 0 | 110.5 | I1529 D1594 L1595 V1601 L1602 | I1529-I1598 HydrophobicContact CG1-CD1 4.33Å; D1594-I1598 WeakPolarHBondContact O-CD1 3.4Å; D1594-I1598 VanDerWaalsContact O-CG1 3.24Å; D1594-I1598 WeakPolarHBondContact O-CG1 3.45Å; D1594-I1598 PolarHBondContact O-N 3.3Å; L1595-I1598 PolarHBondContact O-N 2.82Å; I1598-V1601 PolarHBondContact O-N 2.87Å; I1598-L1602 HydrophobicContact CG2-CD1 3.99Å; I1598-L1602 VanDerWaalsContact O-CG 3.28Å; I1598-L1602 WeakPolarHBondContact O-CG 3.49Å; I1598-L1602 PolarHBondContact O-N 3.37Å |
| 1599 | L | 61.2 | Low | 56 | Low | 45 Ų | 45 | 76.9 Ų | 76.9 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 176.5 | -74.9 | 168 | 0 | 0 | 0 | 112.4 | L1595 C1596 V1601 L1602 L1603 I1616 | L1595-L1599 HydrophobicContact CD2-CD1 4.24Å; L1595-L1599 WeakPolarHBondContact O-CB 3.25Å; L1595-L1599 VanDerWaalsContact O-CG 3.3Å; L1595-L1599 WeakPolarHBondContact O-CG 3.35Å; L1595-L1599 PolarHBondContact O-N 3.13Å; C1596-L1599 PolarHBondContact O-N 2.84Å; L1599-V1601 VanDerWaalsContact C-N 3.3Å; L1599-V1601 PolarHBondContact O-N 3.24Å; L1599-L1602 PolarHBondContact O-N 3.32Å; L1599-L1603 WeakPolarHBondContact O-CB 3.29Å; L1599-L1603 VanDerWaalsContact O-CG 3.28Å; L1599-L1603 WeakPolarHBondContact O-CG 3.41Å; L1599-L1603 PolarHBondContact O-N 3.03Å; L1599-I1616 HydrophobicContact CD2-CD1 3.64Å; L1599-I1616 HydrophobicContact CD2-CG1 3.87Å |
| 1600 | C | 58.9 | Low | 56.6 | Low | 75 Ų | 75 | 77.6 Ų | 77.6 | 51% | 0.507 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.4 | -41.8 | 174.6 | -82.8 | 0 | 0 | 0 | 0 | 111.8 | C1596 N1597 T1604 | C1596-C1600 VanDerWaalsContact O-CB 3.28Å; C1596-C1600 WeakPolarHBondContact O-CB 3.37Å; C1596-C1600 PolarHBondContact O-N 2.93Å; C1596-C1600 PolarHBondContact O-SG 3.41Å; C1596-C1600 VanDerWaalsContact O-SG 3.35Å; N1597-C1600 PolarHBondContact O-N 2.78Å; C1600-T1604 WeakPolarHBondContact O-CB 3.26Å; C1600-T1604 PolarHBondContact O-N 3.09Å; C1600-T1604 PolarHBondContact O-OG1 2.98Å |
| 1601 | V | 57.3 | Low | 56.9 | Low | 50 Ų | 50 | 74.8 Ų | 74.8 | 30% | 0.303 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 175.6 | 165.7 | 0 | 0 | 0 | 0 | 110.6 | L1536 N1597 I1598 L1599 L1603 T1604 F1605 | L1536-V1601 HydrophobicContact CD1-CG1 3.3Å; L1536-V1601 HydrophobicContact CD2-CG1 3.69Å; L1536-V1601 HydrophobicContact CG-CG1 4.13Å; N1597-V1601 WeakPolarHBondContact O-CB 3.47Å; N1597-V1601 WeakPolarHBondContact O-CG2 3.5Å; N1597-V1601 PolarHBondContact O-N 3.36Å; I1598-V1601 PolarHBondContact O-N 2.87Å; L1599-V1601 VanDerWaalsContact C-N 3.3Å; L1599-V1601 PolarHBondContact O-N 3.24Å; V1601-L1603 VanDerWaalsContact C-N 3.31Å; V1601-L1603 PolarHBondContact O-N 3.38Å; V1601-T1604 WeakPolarHBondContact O-CB 3.35Å; V1601-T1604 PolarHBondContact O-N 3.31Å; V1601-F1605 HydrophobicContact CG1-CD2 4.27Å; V1601-F1605 HydrophobicContact CG1-CE2 4.11Å; V1601-F1605 WeakPolarHBondContact O-CD2 3.27Å; V1601-F1605 PolarHBondContact O-N 3.36Å |
| 1602 | L | 56.9 | Low | 57 | Low | 60 Ų | 60 | 73.1 Ų | 73.1 | 31% | 0.314 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 178.4 | -69.7 | 169.7 | 0 | 0 | 0 | 112.8 | I1598 L1599 T1604 F1605 | I1598-L1602 HydrophobicContact CG2-CD1 3.99Å; I1598-L1602 VanDerWaalsContact O-CG 3.28Å; I1598-L1602 WeakPolarHBondContact O-CG 3.49Å; I1598-L1602 PolarHBondContact O-N 3.37Å; L1599-L1602 PolarHBondContact O-N 3.32Å; L1602-T1604 VanDerWaalsContact C-N 3.31Å; L1602-T1604 PolarHBondContact O-N 3.12Å; L1602-F1605 PolarHBondContact O-N 3.02Å |
| 1603 | L | 57.9 | Low | 57.2 | Low | 110 Ų | 110 | 74.2 Ų | 74.2 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.5 | -32.6 | 173.5 | -75.1 | 165.7 | 0 | 0 | 0 | 112.6 | L1599 V1601 F1605 L1609 | L1599-L1603 WeakPolarHBondContact O-CB 3.29Å; L1599-L1603 VanDerWaalsContact O-CG 3.28Å; L1599-L1603 WeakPolarHBondContact O-CG 3.41Å; L1599-L1603 PolarHBondContact O-N 3.03Å; V1601-L1603 VanDerWaalsContact C-N 3.31Å; V1601-L1603 PolarHBondContact O-N 3.38Å; L1603-F1605 VanDerWaalsContact C-N 3.29Å; L1603-F1605 PolarHBondContact O-N 3.27Å; L1603-L1609 HydrophobicContact CD2-CD2 3.83Å |
| 1604 | T | 58.3 | Low | 57.4 | Low | 107 Ų | 107 | 72.6 Ų | 72.6 | 66% | 0.656 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -69.3 | -24.4 | -179.6 | -56.5 | 0 | 0 | 0 | 0 | 112.6 | C1600 V1601 L1602 | C1600-T1604 WeakPolarHBondContact O-CB 3.26Å; C1600-T1604 PolarHBondContact O-N 3.09Å; C1600-T1604 PolarHBondContact O-OG1 2.98Å; V1601-T1604 WeakPolarHBondContact O-CB 3.35Å; V1601-T1604 PolarHBondContact O-N 3.31Å; L1602-T1604 VanDerWaalsContact C-N 3.31Å; L1602-T1604 PolarHBondContact O-N 3.12Å |
| 1605 | F | 54.6 | Low | 57.6 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9 | -173.2 | -76.5 | -77 | 0 | 0 | 0 | 116.1 | L1536 L1539 L1543 V1601 L1602 L1603 V1607 | L1536-F1605 HydrophobicContact CD2-CD2 3.88Å; L1536-F1605 HydrophobicContact CD2-CE2 3.45Å; L1536-F1605 VanDerWaalsContact CD2-CE2 3.45Å; L1536-F1605 HydrophobicContact CD2-CZ 3.97Å; L1539-F1605 HydrophobicContact CD2-CD1 3.89Å; L1539-F1605 HydrophobicContact CD2-CE1 3.89Å; L1543-F1605 HydrophobicContact CD1-CD1 4.37Å; L1543-F1605 HydrophobicContact CD1-CE1 3.98Å; V1601-F1605 HydrophobicContact CG1-CD2 4.27Å; V1601-F1605 HydrophobicContact CG1-CE2 4.11Å; V1601-F1605 WeakPolarHBondContact O-CD2 3.27Å; V1601-F1605 PolarHBondContact O-N 3.36Å; L1602-F1605 PolarHBondContact O-N 3.02Å; L1603-F1605 VanDerWaalsContact C-N 3.29Å; L1603-F1605 PolarHBondContact O-N 3.27Å; F1605-V1607 HydrophobicContact CB-CG2 3.8Å; F1605-V1607 PolarHBondContact O-N 3.45Å |
| 1606 | K | 53.9 | Low | 57.6 | Low | 184 Ų | 184 | 72.8 Ų | 72.8 | 80% | 0.8 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 31.6 | -178.1 | -68.6 | -170.6 | 175.7 | -177.1 | 0 | 113.3 | ||
| 1607 | V | 56.1 | Low | 57.6 | Low | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.127 | 40% | 0.4 | C | S | . | . | trans | -64 | 141.7 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | F1605 L1609 | F1605-V1607 HydrophobicContact CB-CG2 3.8Å; F1605-V1607 PolarHBondContact O-N 3.45Å; V1607-L1609 PolarHBondContact O-N 2.99Å | ||
| 1608 | N | 55.5 | Low | 57.8 | Low | 97 Ų | 97 | 77.2 Ų | 77.2 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | trans | -48.8 | 111 | 176 | -175.1 | -10.5 | 0 | 0 | 0 | 108 | M1610 P1611 | N1608-M1610 PolarHBondContact O-N 3.27Å; N1608-M1610 PolarHBondContact OD1-N 2.87Å; N1608-P1611 WeakPolarHBondContact O-CD 3.32Å | ||
| 1609 | L | 53.6 | Low | 57.7 | Low | 83 Ų | 83 | 76.3 Ų | 76.3 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70 | -14.7 | -167.9 | -94.4 | 131.2 | 0 | 0 | 0 | 112.3 | L1603 V1607 C1612 I1613 | L1603-L1609 HydrophobicContact CD2-CD2 3.83Å; V1607-L1609 PolarHBondContact O-N 2.99Å; L1609-C1612 CarbonylContact O-C 3.58Å; L1609-C1612 PolarHBondContact O-N 3.41Å; L1609-I1613 HydrophobicContact CB-CD1 3.8Å; L1609-I1613 HydrophobicContact CB-CG1 4.26Å; L1609-I1613 HydrophobicContact CD2-CD1 4.28Å; L1609-I1613 HydrophobicContact CD2-CG1 4.29Å; L1609-I1613 WeakPolarHBondContact O-CB 3.47Å; L1609-I1613 WeakPolarHBondContact O-CG1 3.3Å; L1609-I1613 PolarHBondContact O-N 3.49Å |
| 1610 | M | 59 | Low | 57.6 | Low | 107 Ų | 107 | 77.2 Ų | 77.2 | 53% | 0.527 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | -171.7 | -157.1 | 61.3 | 69.4 | 0 | 0 | 114.2 | N1608 I1613 Q1614 | N1608-M1610 PolarHBondContact O-N 3.27Å; N1608-M1610 PolarHBondContact OD1-N 2.87Å; M1610-I1613 PolarHBondContact O-N 2.47Å; M1610-Q1614 WeakPolarHBondContact O-CB 3.46Å; M1610-Q1614 VanDerWaalsContact O-CG 3.23Å; M1610-Q1614 WeakPolarHBondContact O-CG 3.37Å; M1610-Q1614 PolarHBondContact O-N 2.95Å |
| 1611 | P | 55.8 | Low | 57.5 | Low | 52 Ų | 52 | 77.1 Ų | 77.1 | 34% | 0.338 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.9 | -32.8 | 175.3 | -17.2 | 33.6 | 0 | 0 | 0 | 112.7 | I1562 N1608 L1615 | I1562-P1611 HydrophobicContact CD1-CG 4.46Å; N1608-P1611 WeakPolarHBondContact O-CD 3.32Å; P1611-L1615 VanDerWaalsContact O-CB 3.3Å; P1611-L1615 WeakPolarHBondContact O-CB 3.49Å; P1611-L1615 PolarHBondContact O-N 3.3Å |
| 1612 | C | 55 | Low | 57.4 | Low | 27 Ų | 27 | 76 Ų | 76 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.9 | -40.1 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | L1609 L1615 I1616 | L1609-C1612 CarbonylContact O-C 3.58Å; L1609-C1612 PolarHBondContact O-N 3.41Å; C1612-L1615 PolarHBondContact O-N 2.95Å; C1612-I1616 WeakPolarHBondContact O-CB 3.3Å; C1612-I1616 VanDerWaalsContact O-CD1 3.31Å; C1612-I1616 WeakPolarHBondContact O-CD1 3.37Å; C1612-I1616 WeakPolarHBondContact O-CG1 3.36Å; C1612-I1616 PolarHBondContact O-N 3Å |
| 1613 | I | 60.5 | Low | 57.1 | Low | 61 Ų | 61 | 75 Ų | 75 | 31% | 0.313 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 173.6 | -70.3 | 169 | 0 | 0 | 0 | 109.8 | L1609 M1610 L1615 I1616 E1617 | L1609-I1613 HydrophobicContact CB-CD1 3.8Å; L1609-I1613 HydrophobicContact CB-CG1 4.26Å; L1609-I1613 HydrophobicContact CD2-CD1 4.28Å; L1609-I1613 HydrophobicContact CD2-CG1 4.29Å; L1609-I1613 WeakPolarHBondContact O-CB 3.47Å; L1609-I1613 WeakPolarHBondContact O-CG1 3.3Å; L1609-I1613 PolarHBondContact O-N 3.49Å; M1610-I1613 PolarHBondContact O-N 2.47Å; I1613-L1615 VanDerWaalsContact C-N 3.32Å; I1613-L1615 PolarHBondContact O-N 3.23Å; I1613-I1616 CarbonylContact O-C 3.52Å; I1613-I1616 PolarHBondContact O-N 3.35Å; I1613-E1617 HydrophobicContact CG2-CG 4.15Å; I1613-E1617 VanDerWaalsContact O-CB 3.27Å; I1613-E1617 WeakPolarHBondContact O-CB 3.47Å; I1613-E1617 VanDerWaalsContact O-CG 3.28Å; I1613-E1617 WeakPolarHBondContact O-CG 3.3Å; I1613-E1617 PolarHBondContact O-N 3.3Å |
| 1614 | Q | 61 | Low | 56.7 | Low | 116 Ų | 116 | 74.3 Ų | 74.3 | 54% | 0.542 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 174.3 | -76.8 | 173.1 | -20.5 | 0 | 0 | 112.3 | M1610 H1618 | M1610-Q1614 WeakPolarHBondContact O-CB 3.46Å; M1610-Q1614 VanDerWaalsContact O-CG 3.23Å; M1610-Q1614 WeakPolarHBondContact O-CG 3.37Å; M1610-Q1614 PolarHBondContact O-N 2.95Å; Q1614-H1618 WeakPolarHBondContact O-CB 3.47Å; Q1614-H1618 PolarHBondContact O-N 3.49Å |
| 1615 | L | 59.1 | Low | 56.2 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.5 | -176.1 | 65.9 | 0 | 0 | 0 | 111.2 | M1570 I1573 P1611 C1612 I1613 H1618 I1619 | M1570-L1615 HydrophobicContact SD-CD1 4.04Å; I1573-L1615 HydrophobicContact CD1-CD1 4.18Å; P1611-L1615 VanDerWaalsContact O-CB 3.3Å; P1611-L1615 WeakPolarHBondContact O-CB 3.49Å; P1611-L1615 PolarHBondContact O-N 3.3Å; C1612-L1615 PolarHBondContact O-N 2.95Å; I1613-L1615 VanDerWaalsContact C-N 3.32Å; I1613-L1615 PolarHBondContact O-N 3.23Å; L1615-H1618 PolarHBondContact O-N 2.89Å; L1615-I1619 HydrophobicContact CD1-CD1 4.22Å; L1615-I1619 HydrophobicContact CG-CD1 3.92Å; L1615-I1619 WeakPolarHBondContact O-CB 3.45Å; L1615-I1619 WeakPolarHBondContact O-CD1 3.17Å; L1615-I1619 WeakPolarHBondContact O-CG1 3.29Å; L1615-I1619 PolarHBondContact O-N 3.31Å |
| 1616 | I | 59.5 | Low | 55.7 | Low | 59 Ų | 59 | 75.9 Ų | 75.9 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 174.5 | -69.7 | 161.4 | 0 | 0 | 0 | 110.4 | L1599 C1612 I1613 H1618 I1619 L1620 | L1599-I1616 HydrophobicContact CD2-CD1 3.64Å; L1599-I1616 HydrophobicContact CD2-CG1 3.87Å; C1612-I1616 WeakPolarHBondContact O-CB 3.3Å; C1612-I1616 VanDerWaalsContact O-CD1 3.31Å; C1612-I1616 WeakPolarHBondContact O-CD1 3.37Å; C1612-I1616 WeakPolarHBondContact O-CG1 3.36Å; C1612-I1616 PolarHBondContact O-N 3Å; I1613-I1616 CarbonylContact O-C 3.52Å; I1613-I1616 PolarHBondContact O-N 3.35Å; I1616-H1618 VanDerWaalsContact C-N 3.33Å; I1616-H1618 PolarHBondContact O-N 3.39Å; I1616-I1619 PolarHBondContact O-N 3.2Å; I1616-L1620 HydrophobicContact CG2-CD1 3.52Å; I1616-L1620 HydrophobicContact CG2-CG 4.12Å; I1616-L1620 WeakPolarHBondContact O-CB 2.91Å; I1616-L1620 WeakPolarHBondContact O-CG 3.5Å; I1616-L1620 PolarHBondContact O-N 2.84Å |
| 1617 | E | 59.9 | Low | 55.1 | Low | 117 Ų | 117 | 75 Ų | 75 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 175.3 | -77.8 | 178.6 | 165.1 | 0 | 0 | 111.4 | I1613 S1621 | I1613-E1617 HydrophobicContact CG2-CG 4.15Å; I1613-E1617 VanDerWaalsContact O-CB 3.27Å; I1613-E1617 WeakPolarHBondContact O-CB 3.47Å; I1613-E1617 VanDerWaalsContact O-CG 3.28Å; I1613-E1617 WeakPolarHBondContact O-CG 3.3Å; I1613-E1617 PolarHBondContact O-N 3.3Å; E1617-S1621 WeakPolarHBondContact O-CA 3.15Å; E1617-S1621 WeakPolarHBondContact O-CB 3.36Å; E1617-S1621 PolarHBondContact O-N 3.14Å |
| 1618 | H | 61.2 | Low | 54.6 | Low | 80 Ų | 80 | 80.9 Ų | 80.9 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 176.1 | -168.4 | 69.2 | 0 | 0 | 0 | 112.1 | Q1614 L1615 I1616 S1622 | Q1614-H1618 WeakPolarHBondContact O-CB 3.47Å; Q1614-H1618 PolarHBondContact O-N 3.49Å; L1615-H1618 PolarHBondContact O-N 2.89Å; I1616-H1618 VanDerWaalsContact C-N 3.33Å; I1616-H1618 PolarHBondContact O-N 3.39Å; H1618-S1622 WeakPolarHBondContact O-CB 3.38Å; H1618-S1622 PolarHBondContact O-N 3.4Å; H1618-S1622 PolarHBondContact O-OG 2.98Å |
| 1619 | I | 56.7 | Low | 54.5 | Low | 40 Ų | 40 | 78.4 Ų | 78.4 | 21% | 0.205 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 173.5 | -71.4 | 166.9 | 0 | 0 | 0 | 109.7 | L1615 I1616 S1622 L1623 | L1615-I1619 HydrophobicContact CD1-CD1 4.22Å; L1615-I1619 HydrophobicContact CG-CD1 3.92Å; L1615-I1619 WeakPolarHBondContact O-CB 3.45Å; L1615-I1619 WeakPolarHBondContact O-CD1 3.17Å; L1615-I1619 WeakPolarHBondContact O-CG1 3.29Å; L1615-I1619 PolarHBondContact O-N 3.31Å; I1616-I1619 PolarHBondContact O-N 3.2Å; I1619-S1622 PolarHBondContact O-N 3.28Å; I1619-L1623 HydrophobicContact CG2-CD1 3.55Å; I1619-L1623 HydrophobicContact CG2-CG 4.36Å; I1619-L1623 WeakPolarHBondContact O-CB 3.11Å; I1619-L1623 WeakPolarHBondContact O-CD1 3.47Å; I1619-L1623 WeakPolarHBondContact O-CG 3.3Å; I1619-L1623 PolarHBondContact O-N 2.96Å |
| 1620 | L | 58.7 | Low | 54.3 | Low | 63 Ų | 63 | 77.5 Ų | 77.5 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 176.8 | -70.4 | 172 | 0 | 0 | 0 | 111.8 | I1616 S1622 L1623 C1624 | I1616-L1620 HydrophobicContact CG2-CD1 3.52Å; I1616-L1620 HydrophobicContact CG2-CG 4.12Å; I1616-L1620 WeakPolarHBondContact O-CB 2.91Å; I1616-L1620 WeakPolarHBondContact O-CG 3.5Å; I1616-L1620 PolarHBondContact O-N 2.84Å; L1620-S1622 VanDerWaalsContact C-N 3.33Å; L1620-S1622 PolarHBondContact O-N 3.17Å; L1620-L1623 PolarHBondContact O-N 3.47Å; L1620-C1624 VanDerWaalsContact O-CB 3.25Å; L1620-C1624 WeakPolarHBondContact O-CB 3.44Å; L1620-C1624 PolarHBondContact O-N 3.11Å; L1620-C1624 PolarHBondContact O-SG 2.81Å |
| 1621 | S | 57.8 | Low | 53.9 | Low | 74 Ų | 74 | 80.1 Ų | 80.1 | 52% | 0.517 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 175.7 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | E1617 | E1617-S1621 WeakPolarHBondContact O-CA 3.15Å; E1617-S1621 WeakPolarHBondContact O-CB 3.36Å; E1617-S1621 PolarHBondContact O-N 3.14Å |
| 1622 | S | 53.5 | Low | 53.6 | Low | 26 Ų | 26 | 81 Ų | 81 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -78.2 | -29.6 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | H1618 I1619 L1620 F1626 | H1618-S1622 WeakPolarHBondContact O-CB 3.38Å; H1618-S1622 PolarHBondContact O-N 3.4Å; H1618-S1622 PolarHBondContact O-OG 2.98Å; I1619-S1622 PolarHBondContact O-N 3.28Å; L1620-S1622 VanDerWaalsContact C-N 3.33Å; L1620-S1622 PolarHBondContact O-N 3.17Å; S1622-F1626 VanDerWaalsContact O-CD2 3.24Å; S1622-F1626 WeakPolarHBondContact O-CD2 3.43Å; S1622-F1626 WeakPolarHBondContact O-CE2 3.4Å |
| 1623 | L | 51.4 | Low | 53.4 | Low | 39 Ų | 39 | 81.7 Ų | 81.7 | 20% | 0.204 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -77.7 | -34 | 174.7 | -74.8 | 171.2 | 0 | 0 | 0 | 112.5 | V1585 I1619 L1620 V1625 F1626 I1629 | V1585-L1623 HydrophobicContact CG1-CD2 4Å; I1619-L1623 HydrophobicContact CG2-CD1 3.55Å; I1619-L1623 HydrophobicContact CG2-CG 4.36Å; I1619-L1623 WeakPolarHBondContact O-CB 3.11Å; I1619-L1623 WeakPolarHBondContact O-CD1 3.47Å; I1619-L1623 WeakPolarHBondContact O-CG 3.3Å; I1619-L1623 PolarHBondContact O-N 2.96Å; L1620-L1623 PolarHBondContact O-N 3.47Å; L1623-V1625 PolarHBondContact O-N 2.8Å; L1623-V1625 VanDerWaalsContact O-N 3.17Å; L1623-F1626 PolarHBondContact O-N 3.02Å; L1623-F1626 VanDerWaalsContact O-N 3.13Å; L1623-I1629 HydrophobicContact CB-CD1 3.64Å; L1623-I1629 HydrophobicContact CD2-CD1 4.22Å; L1623-I1629 HydrophobicContact CG-CD1 4.45Å; L1623-I1629 WeakPolarHBondContact O-CD1 3.39Å |
| 1624 | C | 48.9 | Very low | 53.1 | Low | 95 Ų | 95 | 82.6 Ų | 82.6 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8 | 178.3 | -79.3 | 0 | 0 | 0 | 0 | 114.8 | L1620 F1626 | L1620-C1624 VanDerWaalsContact O-CB 3.25Å; L1620-C1624 WeakPolarHBondContact O-CB 3.44Å; L1620-C1624 PolarHBondContact O-N 3.11Å; L1620-C1624 PolarHBondContact O-SG 2.81Å; C1624-F1626 VanDerWaalsContact C-N 3.27Å |
| 1625 | V | 48 | Very low | 52.8 | Low | 111 Ų | 111 | 83.3 Ų | 83.3 | 67% | 0.673 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.7 | 172.7 | -180 | 0 | 0 | 0 | 0 | 111.7 | L1623 | L1623-V1625 PolarHBondContact O-N 2.8Å; L1623-V1625 VanDerWaalsContact O-N 3.17Å |
| 1626 | F | 45 | Very low | 52.4 | Low | 95 Ų | 95 | 87.5 Ų | 87.5 | 42% | 0.417 | 46% | 0.458 | S | S | . | . | trans | -108.4 | 114.8 | -176.1 | -60.1 | -76.8 | 0 | 0 | 0 | 111.3 | P1582 S1622 L1623 C1624 D1628 | P1582-F1626 HydrophobicContact CB-CD1 4.48Å; S1622-F1626 VanDerWaalsContact O-CD2 3.24Å; S1622-F1626 WeakPolarHBondContact O-CD2 3.43Å; S1622-F1626 WeakPolarHBondContact O-CE2 3.4Å; L1623-F1626 PolarHBondContact O-N 3.02Å; L1623-F1626 VanDerWaalsContact O-N 3.13Å; C1624-F1626 VanDerWaalsContact C-N 3.27Å; F1626-D1628 PolarHBondContact O-N 3.43Å | ||
| 1627 | N | 40.6 | Very low | 51.9 | Low | 166 Ų | 166 | 87.6 Ų | 87.6 | 89% | 0.888 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 6.9 | -174.1 | -82.5 | -24.5 | 0 | 0 | 0 | 116.2 | ||
| 1628 | D | 45.4 | Very low | 51.8 | Low | 144 Ų | 144 | 85.4 Ų | 85.4 | 77% | 0.77 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 20.6 | -168.6 | -73.5 | -38.7 | 0 | 0 | 0 | 114.7 | F1626 N1630 | F1626-D1628 PolarHBondContact O-N 3.43Å; D1628-N1630 PolarHBondContact O-N 2.83Å |
| 1629 | I | 52.9 | Low | 51.2 | Low | 44 Ų | 44 | 88.1 Ų | 88.1 | 23% | 0.226 | 50% | 0.496 | C | S | . | . | trans | -83.8 | 110.6 | 176.4 | -55.1 | -179.8 | 0 | 0 | 0 | 110.6 | L1623 E1631 T1633 L1634 | L1623-I1629 HydrophobicContact CB-CD1 3.64Å; L1623-I1629 HydrophobicContact CD2-CD1 4.22Å; L1623-I1629 HydrophobicContact CG-CD1 4.45Å; L1623-I1629 WeakPolarHBondContact O-CD1 3.39Å; I1629-E1631 PolarHBondContact O-N 3.19Å; I1629-T1633 HydrophobicContact CG2-CG2 4.48Å; I1629-L1634 HydrophobicContact CB-CD1 4.18Å; I1629-L1634 HydrophobicContact CG2-CD1 3.87Å; I1629-L1634 HydrophobicContact CG2-CG 3.77Å | ||
| 1630 | N | 50.5 | Low | 50.9 | Low | 65 Ų | 65 | 90.5 Ų | 90.5 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | trans | -44.4 | 127.9 | 170.5 | 153.9 | 12 | 0 | 0 | 0 | 112.6 | D1628 N1632 T1633 L1634 | D1628-N1630 PolarHBondContact O-N 2.83Å; N1630-N1632 PolarHBondContact O-N 3.03Å; N1630-N1632 WeakPolarHBondContact OD1-CA 3.38Å; N1630-N1632 WeakPolarHBondContact OD1-CB 3.48Å; N1630-N1632 PolarHBondContact OD1-N 3.32Å; N1630-T1633 PolarHBondContact ND2-OG1 3.06Å; N1630-T1633 VanDerWaalsContact ND2-OG1 3.09Å; N1630-T1633 WeakPolarHBondContact O-CA 3.47Å; N1630-T1633 WeakPolarHBondContact O-CB 3.49Å; N1630-T1633 PolarHBondContact O-N 3.01Å; N1630-T1633 PolarHBondContact OD1-N 3.5Å; N1630-L1634 PolarHBondContact O-N 3.25Å | ||
| 1631 | E | 50.4 | Low | 50.5 | Low | 162 Ų | 162 | 91.9 Ų | 91.9 | 76% | 0.757 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.3 | -31.3 | 179.5 | -161.9 | 176.9 | -160.6 | 0 | 0 | 113.4 | I1629 Q1635 | I1629-E1631 PolarHBondContact O-N 3.19Å; E1631-Q1635 WeakPolarHBondContact O-CB 3.41Å; E1631-Q1635 PolarHBondContact O-N 3.16Å |
| 1632 | N | 49.3 | Very low | 50.1 | Low | 69 Ų | 69 | 92.9 Ų | 92.9 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.7 | -29.9 | 174.1 | -128 | -13.6 | 0 | 0 | 0 | 112.2 | N1630 K1636 | N1630-N1632 PolarHBondContact O-N 3.03Å; N1630-N1632 WeakPolarHBondContact OD1-CA 3.38Å; N1630-N1632 WeakPolarHBondContact OD1-CB 3.48Å; N1630-N1632 PolarHBondContact OD1-N 3.32Å; N1632-K1636 WeakPolarHBondContact O-CB 3.49Å; N1632-K1636 VanDerWaalsContact O-CG 3.32Å; N1632-K1636 WeakPolarHBondContact O-CG 3.49Å; N1632-K1636 PolarHBondContact O-N 3.34Å |
| 1633 | T | 51 | Low | 49.9 | Very low | 43 Ų | 43 | 96.9 Ų | 96.9 | 26% | 0.264 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.5 | -39.3 | 172.6 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | I1629 N1630 K1636 L1637 | I1629-T1633 HydrophobicContact CG2-CG2 4.48Å; N1630-T1633 PolarHBondContact ND2-OG1 3.06Å; N1630-T1633 VanDerWaalsContact ND2-OG1 3.09Å; N1630-T1633 WeakPolarHBondContact O-CA 3.47Å; N1630-T1633 WeakPolarHBondContact O-CB 3.49Å; N1630-T1633 PolarHBondContact O-N 3.01Å; N1630-T1633 PolarHBondContact OD1-N 3.5Å; T1633-K1636 PolarHBondContact O-N 3.49Å; T1633-L1637 HydrophobicContact CG2-CD1 4.15Å; T1633-L1637 WeakPolarHBondContact O-CB 3.48Å; T1633-L1637 PolarHBondContact O-N 2.96Å |
| 1634 | L | 54.7 | Low | 49.8 | Very low | 80 Ų | 80 | 100.5 Ų | 100.5 | 42% | 0.419 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 169.7 | -89 | 154.8 | 0 | 0 | 0 | 112 | I1629 N1630 L1637 G1638 | I1629-L1634 HydrophobicContact CB-CD1 4.18Å; I1629-L1634 HydrophobicContact CG2-CD1 3.87Å; I1629-L1634 HydrophobicContact CG2-CG 3.77Å; N1630-L1634 PolarHBondContact O-N 3.25Å; L1634-L1637 PolarHBondContact O-N 2.57Å; L1634-G1638 PolarHBondContact O-N 3.09Å |
| 1635 | Q | 53.6 | Low | 49.8 | Very low | 130 Ų | 130 | 100.9 Ų | 100.9 | 61% | 0.607 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -39.9 | 172.6 | -92.6 | -175.8 | -12.3 | 0 | 0 | 112.8 | E1631 G1638 S1639 | E1631-Q1635 WeakPolarHBondContact O-CB 3.41Å; E1631-Q1635 PolarHBondContact O-N 3.16Å; Q1635-G1638 PolarHBondContact O-N 3.21Å; Q1635-S1639 VanDerWaalsContact O-CB 3.3Å; Q1635-S1639 WeakPolarHBondContact O-CB 3.16Å; Q1635-S1639 PolarHBondContact O-N 3.41Å; Q1635-S1639 PolarHBondContact O-OG 3.16Å |
| 1636 | K | 51.5 | Low | 49.9 | Very low | 136 Ų | 136 | 100.1 Ų | 100.1 | 59% | 0.591 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.5 | -27.6 | 176.9 | -79.1 | 178.1 | 179.3 | -178.5 | 0 | 114.3 | N1632 T1633 S1639 | N1632-K1636 WeakPolarHBondContact O-CB 3.49Å; N1632-K1636 VanDerWaalsContact O-CG 3.32Å; N1632-K1636 WeakPolarHBondContact O-CG 3.49Å; N1632-K1636 PolarHBondContact O-N 3.34Å; T1633-K1636 PolarHBondContact O-N 3.49Å; K1636-S1639 WeakPolarHBondContact CA-OG 3.45Å; K1636-S1639 PolarHBondContact O-OG 2.91Å; K1636-S1639 VanDerWaalsContact O-OG 3.07Å |
| 1637 | L | 49.6 | Very low | 50.3 | Low | 61 Ų | 61 | 100.5 Ų | 100.5 | 32% | 0.319 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -81.7 | -29.1 | 172.8 | -83.1 | 161.8 | 0 | 0 | 0 | 112.1 | T1633 L1634 | T1633-L1637 HydrophobicContact CG2-CD1 4.15Å; T1633-L1637 WeakPolarHBondContact O-CB 3.48Å; T1633-L1637 PolarHBondContact O-N 2.96Å; L1634-L1637 PolarHBondContact O-N 2.57Å |
| 1638 | G | 57.4 | Low | 51.1 | Low | 71 Ų | 71 | 95.1 Ų | 95.1 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80.1 | -27.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | L1634 Q1635 | L1634-G1638 PolarHBondContact O-N 3.09Å; Q1635-G1638 PolarHBondContact O-N 3.21Å |
| 1639 | S | 47.2 | Very low | 51.7 | Low | 136 Ų | 136 | 90.6 Ų | 90.6 | 95% | 0.951 | 51% | 0.508 | S | S | * | . | trans | -78.1 | 0 | 171 | 69 | 0 | 0 | 0 | 0 | 111.6 | Q1635 K1636 | Q1635-S1639 VanDerWaalsContact O-CB 3.3Å; Q1635-S1639 WeakPolarHBondContact O-CB 3.16Å; Q1635-S1639 PolarHBondContact O-N 3.41Å; Q1635-S1639 PolarHBondContact O-OG 3.16Å; K1636-S1639 WeakPolarHBondContact CA-OG 3.45Å; K1636-S1639 PolarHBondContact O-OG 2.91Å; K1636-S1639 VanDerWaalsContact O-OG 3.07Å |
Retrieved 1,639 of 1,639 residues in 500.7 ms
(Link to these results)