| 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 | 31.5 | Very low | 46.8 | Very low | 242 Ų | 242 | 122 Ų | 122 | 100% | 1.192 | 73% | 0.731 | S | S | * | * | 0 | 95.7 | 0 | -80.7 | 171.5 | 167.1 | 0 | 0 | 108.8 | C3 | M1-C3 PolarHBondContact O-N 3.38Š| |||
| 2 | N | 35.6 | Very low | 49.9 | Very low | 148 Ų | 148 | 116.5 Ų | 116.5 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -79.5 | 99.8 | 170.8 | -76.3 | -15.6 | 0 | 0 | 0 | 107.1 | F4 | N2-F4 VanDerWaalsContact C-N 3.31Å; N2-F4 HydrophobicContact CB-CD2 4.27Å; N2-F4 HydrophobicContact CB-CE2 4.3Å; N2-F4 PolarHBondContact O-N 3.21Å | ||
| 3 | C | 36.4 | Very low | 52.8 | Low | 127 Ų | 127 | 119.9 Ų | 119.9 | 86% | 0.858 | 69% | 0.693 | S | S | * | * | trans | -70.8 | 94.6 | 172.1 | -154.9 | 0 | 0 | 0 | 0 | 107.9 | M1 | M1-C3 PolarHBondContact O-N 3.38Š| ||
| 4 | F | 37.1 | Very low | 55.3 | Low | 193 Ų | 193 | 112.9 Ų | 112.9 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | trans | -67.8 | 121.7 | 166.7 | -90 | -99.5 | 0 | 0 | 0 | 108.5 | N2 | N2-F4 VanDerWaalsContact C-N 3.31Å; N2-F4 HydrophobicContact CB-CD2 4.27Å; N2-F4 HydrophobicContact CB-CE2 4.3Å; N2-F4 PolarHBondContact O-N 3.21Å | ||
| 5 | G | 37.7 | Very low | 57.6 | Low | 60 Ų | 60 | 110.1 Ų | 110.1 | 62% | 0.619 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 104.2 | 124.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 6 | C | 41.1 | Very low | 59.7 | Low | 131 Ų | 131 | 110.1 Ų | 110.1 | 89% | 0.885 | 61% | 0.611 | S | S | * | * | trans | 74 | 64.5 | 146.6 | -61.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 7 | C | 48.2 | Very low | 61.5 | Low | 74 Ų | 74 | 105.7 Ų | 105.7 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | trans | -164.1 | 104.5 | 135.2 | -104.3 | 0 | 0 | 0 | 0 | 110.4 | T9 C10 | C7-T9 PolarHBondContact O-N 3.07Å; C7-C10 HydrophobicContact CB-CB 4.44Å; C7-C10 VanDerWaalsContact CB-SG 3.54Å; C7-C10 PolarHBondContact O-N 2.99Å | ||
| 8 | A | 54.6 | Low | 63.2 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -55.6 | -24 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C10 H11 R16 | A8-C10 VanDerWaalsContact C-N 3.28Å; A8-C10 PolarHBondContact O-N 3.42Å; A8-H11 PolarHBondContact O-N 3.1Å; A8-R16 WeakPolarHBondContact O-CD 3.29Å |
| 9 | T | 54.9 | Low | 64.7 | Low | 102 Ų | 102 | 97.5 Ų | 97.5 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -64.4 | -26.5 | 177.1 | -17 | 0 | 0 | 0 | 0 | 113.8 | C7 H11 R16 | C7-T9 PolarHBondContact O-N 3.07Å; T9-H11 VanDerWaalsContact C-N 3.29Å; T9-H11 PolarHBondContact O-N 3.1Å; T9-R16 PolarHBondContact O-NH2 3.48Å |
| 10 | C | 65.5 | Low | 66.1 | Low | 105 Ų | 105 | 94.5 Ų | 94.5 | 71% | 0.709 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -79.5 | -10.8 | 179.9 | -60 | 0 | 0 | 0 | 0 | 113.1 | C7 A8 | C7-C10 HydrophobicContact CB-CB 4.44Å; C7-C10 VanDerWaalsContact CB-SG 3.54Å; C7-C10 PolarHBondContact O-N 2.99Å; A8-C10 VanDerWaalsContact C-N 3.28Å; A8-C10 PolarHBondContact O-N 3.42Å |
| 11 | H | 72.6 | Confident | 67.3 | Low | 86 Ų | 86 | 90 Ų | 90 | 40% | 0.398 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -75.9 | 143.5 | 176.8 | -73.7 | -42.8 | 0 | 0 | 0 | 111.7 | A8 T9 R13 R15 R16 | A8-H11 PolarHBondContact O-N 3.1Å; T9-H11 VanDerWaalsContact C-N 3.29Å; T9-H11 PolarHBondContact O-N 3.1Å; H11-R13 PolarHBondContact O-N 3.39Å; H11-R15 HydrophobicContact CB-CB 4.39Å; H11-R16 HydrophobicContact CB-CG 4.2Å; H11-R16 PolarHBondContact O-NE 3.38Å; H11-R16 PolarHBondContact O-NH2 3.39Å |
| 12 | P | 83.3 | Confident | 70 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | trans | -50 | 141.2 | 171.6 | -25.2 | 32.3 | 0 | 0 | 0 | 111.3 | Y14 R15 R16 | P12-Y14 HydrophobicContact CB-CD1 3.51Å; P12-Y14 HydrophobicContact CB-CE1 3.28Å; P12-Y14 HydrophobicContact CG-CE1 3.87Å; P12-Y14 PolarHBondContact O-N 3.05Å; P12-Y14 VanDerWaalsContact O-N 3.15Å; P12-R15 WeakPolarHBondContact O-CB 3.42Å; P12-R15 PolarHBondContact O-N 3Å; P12-R16 PolarHBondContact O-N 3.33Å | ||
| 13 | R | 87.4 | Confident | 72.4 | Confident | 161 Ų | 161 | 73 Ų | 73 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -51.4 | -41.3 | -176.2 | -173.5 | 176.7 | 178.8 | -178.1 | -0.8 | 112.9 | H11 R15 R16 L17 Y41 | H11-R13 PolarHBondContact O-N 3.39Å; R13-R15 VanDerWaalsContact C-N 3.32Å; R13-R15 PolarHBondContact O-N 2.69Å; R13-R16 PolarHBondContact O-N 2.86Å; R13-L17 HydrophobicContact CG-CD1 4.43Å; R13-L17 WeakPolarHBondContact O-CG 3.19Å; R13-L17 PolarHBondContact O-N 2.98Å; R13-Y41 HydrophobicContact CG-CE2 4.5Å |
| 14 | Y | 88.2 | Confident | 74.5 | Confident | 21 Ų | 21 | 73.4 Ų | 73.4 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 177.4 | 79 | -94.6 | 0 | 0 | 0 | 112.9 | P12 L17 V18 R51 I52 | P12-Y14 HydrophobicContact CB-CD1 3.51Å; P12-Y14 HydrophobicContact CB-CE1 3.28Å; P12-Y14 HydrophobicContact CG-CE1 3.87Å; P12-Y14 PolarHBondContact O-N 3.05Å; P12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-L17 PolarHBondContact O-N 3.26Å; Y14-V18 WeakPolarHBondContact O-CG2 3.21Å; Y14-V18 PolarHBondContact O-N 3.06Å; Y14-R51 HydrophobicContact CE1-CB 4.49Å; Y14-R51 HydrophobicContact CE2-CB 4.15Å; Y14-I52 HydrophobicContact CD2-CG1 4.01Å; Y14-I52 HydrophobicContact CG-CG1 4.33Å |
| 15 | R | 90.4 | Very high | 76.5 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 177.9 | -69.1 | -165.5 | -174 | 172.3 | 0.6 | 111.5 | H11 P12 R13 L17 V18 D19 Y55 | H11-R15 HydrophobicContact CB-CB 4.39Å; P12-R15 WeakPolarHBondContact O-CB 3.42Å; P12-R15 PolarHBondContact O-N 3Å; R13-R15 VanDerWaalsContact C-N 3.32Å; R13-R15 PolarHBondContact O-N 2.69Å; R15-L17 VanDerWaalsContact C-N 3.29Å; R15-L17 PolarHBondContact O-N 2.79Å; R15-V18 PolarHBondContact O-N 3.24Å; R15-D19 WeakPolarHBondContact O-CB 3.41Å; R15-D19 VanDerWaalsContact O-CG 3.28Å; R15-D19 PolarHBondContact O-N 3.19Å; R15-Y55 HydrophobicContact CB-CE1 4.39Å; R15-Y55 HydrophobicContact CG-CD1 4.33Å; R15-Y55 HydrophobicContact CG-CD2 4.49Å; R15-Y55 HydrophobicContact CG-CE1 4.33Å; R15-Y55 HydrophobicContact CG-CE2 4.47Å; R15-Y55 HydrophobicContact CG-CG 4.43Å |
| 16 | R | 90.7 | Very high | 78.2 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 42% | 0.419 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.8 | -73.7 | -176.3 | -97.1 | 156.9 | -10.4 | 111.9 | A8 T9 H11 P12 R13 D19 A20 | A8-R16 WeakPolarHBondContact O-CD 3.29Å; T9-R16 PolarHBondContact O-NH2 3.48Å; H11-R16 HydrophobicContact CB-CG 4.2Å; H11-R16 PolarHBondContact O-NE 3.38Å; H11-R16 PolarHBondContact O-NH2 3.39Å; P12-R16 PolarHBondContact O-N 3.33Å; R13-R16 PolarHBondContact O-N 2.86Å; R16-D19 PolarHBondContact O-N 3.34Å; R16-A20 WeakPolarHBondContact O-CB 3.47Å; R16-A20 PolarHBondContact O-N 2.93Å |
| 17 | L | 91.2 | Very high | 79.8 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 18% | 0.183 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.3 | -70.8 | 173.8 | 0 | 0 | 0 | 111.6 | R13 Y14 R15 A20 I21 K37 L38 Y41 | R13-L17 HydrophobicContact CG-CD1 4.43Å; R13-L17 WeakPolarHBondContact O-CG 3.19Å; R13-L17 PolarHBondContact O-N 2.98Å; Y14-L17 PolarHBondContact O-N 3.26Å; R15-L17 VanDerWaalsContact C-N 3.29Å; R15-L17 PolarHBondContact O-N 2.79Å; L17-A20 PolarHBondContact O-N 2.99Å; L17-I21 WeakPolarHBondContact O-CG2 3.42Å; L17-K37 HydrophobicContact CD2-CB 4.35Å; L17-L38 HydrophobicContact CB-CD1 3.82Å; L17-Y41 HydrophobicContact CD1-CD1 3.81Å; L17-Y41 HydrophobicContact CD1-CD2 3.89Å; L17-Y41 HydrophobicContact CD1-CE1 4.5Å; L17-Y41 HydrophobicContact CD1-CG 3.46Å; L17-Y41 VanDerWaalsContact CD1-CG 3.46Å |
| 18 | V | 92.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Y14 R15 A20 I21 Y22 L38 I52 Y55 L56 | Y14-V18 WeakPolarHBondContact O-CG2 3.21Å; Y14-V18 PolarHBondContact O-N 3.06Å; R15-V18 PolarHBondContact O-N 3.24Å; V18-A20 PolarHBondContact O-N 3.48Å; V18-I21 HydrophobicContact CG1-CD1 4.38Å; V18-I21 WeakPolarHBondContact O-CD1 3.14Å; V18-I21 WeakPolarHBondContact O-CG1 3.47Å; V18-I21 PolarHBondContact O-N 2.97Å; V18-Y22 HydrophobicContact CG1-CE2 4.12Å; V18-Y22 VanDerWaalsContact O-CD2 3.26Å; V18-Y22 WeakPolarHBondContact O-CD2 3.38Å; V18-Y22 WeakPolarHBondContact O-CE2 3.45Å; V18-L38 HydrophobicContact CG2-CD1 3.83Å; V18-L38 HydrophobicContact CG2-CD2 3.99Å; V18-I52 HydrophobicContact CG2-CG2 3.9Å; V18-Y55 HydrophobicContact CB-CD1 3.92Å; V18-Y55 HydrophobicContact CB-CE1 4.05Å; V18-Y55 HydrophobicContact CG1-CD1 3.6Å; V18-Y55 HydrophobicContact CG1-CE1 3.7Å; V18-Y55 HydrophobicContact CG2-CD1 4.29Å; V18-L56 HydrophobicContact CG1-CD2 3.47Å; V18-L56 VanDerWaalsContact CG1-CD2 3.47Å; V18-L56 HydrophobicContact CG1-CG 3.97Å; V18-L56 HydrophobicContact CG2-CG 4.49Å |
| 19 | D | 91.3 | Very high | 82.7 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -34.6 | 179.2 | -71.6 | -33.9 | 0 | 0 | 0 | 112.2 | R15 R16 I21 Y22 Y55 R59 | R15-D19 WeakPolarHBondContact O-CB 3.41Å; R15-D19 VanDerWaalsContact O-CG 3.28Å; R15-D19 PolarHBondContact O-N 3.19Å; R16-D19 PolarHBondContact O-N 3.34Å; D19-I21 VanDerWaalsContact C-N 3.28Å; D19-I21 PolarHBondContact O-N 3.41Å; D19-Y22 PolarHBondContact O-N 2.91Å; D19-Y55 PolarHBondContact OD1-OH 3.3Å; D19-Y55 VanDerWaalsContact OD1-OH 3.12Å; D19-R59 IonicContact OD1-CZ 2.6Å; D19-R59 IonicContact OD1-NH1 3.77Å; D19-R59 PolarHBondContact OD1-NH1 3.46Å |
| 20 | A | 91.6 | Very high | 84.3 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.4 | -17.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R16 L17 V18 Y22 N34 | R16-A20 WeakPolarHBondContact O-CB 3.47Å; R16-A20 PolarHBondContact O-N 2.93Å; L17-A20 PolarHBondContact O-N 2.99Å; V18-A20 PolarHBondContact O-N 3.48Å; A20-Y22 PolarHBondContact O-N 3.21Å; A20-N34 HydrophobicContact CB-CB 4.25Å; A20-N34 WeakPolarHBondContact O-CB 3.32Å; A20-N34 PolarHBondContact O-ND2 3.11Å |
| 21 | I | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.7 | 177.6 | 82.7 | -160 | 0 | 0 | 0 | 112.3 | L17 V18 D19 L30 V31 N34 M35 L38 L56 V74 A78 | L17-I21 WeakPolarHBondContact O-CG2 3.42Å; V18-I21 HydrophobicContact CG1-CD1 4.38Å; V18-I21 WeakPolarHBondContact O-CD1 3.14Å; V18-I21 WeakPolarHBondContact O-CG1 3.47Å; V18-I21 PolarHBondContact O-N 2.97Å; D19-I21 VanDerWaalsContact C-N 3.28Å; D19-I21 PolarHBondContact O-N 3.41Å; I21-L30 HydrophobicContact CB-CD1 3.75Å; I21-L30 HydrophobicContact CD1-CD1 4.25Å; I21-L30 HydrophobicContact CG1-CD1 3.85Å; I21-V31 PolarHBondContact O-N 3.11Å; I21-V31 VanDerWaalsContact O-N 3.15Å; I21-N34 HydrophobicContact CG2-CB 4.34Å; I21-M35 HydrophobicContact CD1-SD 4.5Å; I21-M35 HydrophobicContact CG2-SD 4.28Å; I21-L38 HydrophobicContact CD1-CD2 4.05Å; I21-L38 HydrophobicContact CG2-CB 4.31Å; I21-L38 HydrophobicContact CG2-CD2 3.89Å; I21-L56 HydrophobicContact CD1-CD2 4.17Å; I21-V74 HydrophobicContact CG1-CG1 4.35Å; I21-A78 HydrophobicContact CD1-CB 3.52Å |
| 22 | Y | 89.1 | Confident | 86.3 | Confident | 20 Ų | 20 | 63.7 Ų | 63.7 | 8% | 0.078 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -84.3 | 127.9 | 179.2 | -65.3 | -93.3 | 0 | 0 | 0 | 109.9 | V18 D19 A20 R59 H71 V74 A75 | V18-Y22 HydrophobicContact CG1-CE2 4.12Å; V18-Y22 VanDerWaalsContact O-CD2 3.26Å; V18-Y22 WeakPolarHBondContact O-CD2 3.38Å; V18-Y22 WeakPolarHBondContact O-CE2 3.45Å; D19-Y22 PolarHBondContact O-N 2.91Å; A20-Y22 PolarHBondContact O-N 3.21Å; Y22-R59 VanDerWaalsContact CD2-NH2 3.28Å; Y22-R59 VanDerWaalsContact CE2-NH1 3.27Å; Y22-R59 VanDerWaalsContact CG-NH2 3.31Å; Y22-R59 VanDerWaalsContact CZ-NE 3.27Å; Y22-R59 VanDerWaalsContact OH-CD 3.3Å; Y22-R59 WeakPolarHBondContact OH-CD 3.49Å; Y22-H71 HydrophobicContact CD1-CB 4.38Å; Y22-H71 AromaticContact CD1-ND1 3.89Å; Y22-H71 HydrophobicContact CE1-CB 4.42Å; Y22-V74 HydrophobicContact CD1-CB 4.25Å; Y22-V74 HydrophobicContact CD1-CG1 3.85Å; Y22-V74 HydrophobicContact CE1-CB 4.31Å; Y22-V74 HydrophobicContact CE1-CG1 4.06Å; Y22-V74 HydrophobicContact CG-CG1 4.35Å; Y22-A75 HydrophobicContact CE1-CB 4.15Å; Y22-A75 WeakPolarHBondContact OH-CB 3.43Å |
| 23 | P | 85.6 | Confident | 86.6 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | -74.1 | 163.3 | 175 | 32.7 | -38.2 | 0 | 0 | 0 | 112.2 | A25 S28 G29 V31 | P23-A25 VanDerWaalsContact C-N 3.32Å; P23-A25 WeakPolarHBondContact CB-O 3.37Å; P23-A25 WeakPolarHBondContact CG-O 3.14Å; P23-S28 WeakPolarHBondContact CB-OG 3.48Å; P23-S28 WeakPolarHBondContact CG-OG 3.23Å; P23-G29 VanDerWaalsContact CD-O 3.31Å; P23-G29 WeakPolarHBondContact CD-O 3.45Å; P23-G29 VanDerWaalsContact CG-O 3.24Å; P23-G29 WeakPolarHBondContact CG-O 3.45Å; P23-V31 HydrophobicContact CB-CG2 4.16Å | ||
| 24 | S | 80.6 | Confident | 86.8 | Confident | 136 Ų | 136 | 60.6 Ų | 60.6 | 95% | 0.951 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -63.8 | -37.3 | 171 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 25 | A | 79.5 | Confident | 87.1 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -111.5 | 124.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P23 E27 S28 | P23-A25 VanDerWaalsContact C-N 3.32Å; P23-A25 WeakPolarHBondContact CB-O 3.37Å; P23-A25 WeakPolarHBondContact CG-O 3.14Å; A25-E27 PolarHBondContact O-N 3.04Å; A25-E27 VanDerWaalsContact O-N 3.1Å; A25-S28 PolarHBondContact O-N 3.04Å; A25-S28 PolarHBondContact O-OG 3.12Å |
| 26 | P | 72.6 | Confident | 87.2 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -61.6 | -23.7 | -172 | 24.1 | -33.8 | 0 | 0 | 0 | 114 | S28 | P26-S28 VanDerWaalsContact C-N 3.31Å; P26-S28 PolarHBondContact O-N 3.06Å |
| 27 | E | 74 | Confident | 87.3 | Confident | 188 Ų | 188 | 63 Ų | 63 | 88% | 0.879 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -73 | -21.3 | -178.7 | -57 | -165.9 | -172.3 | 0 | 0 | 113.8 | A25 G29 | A25-E27 PolarHBondContact O-N 3.04Å; A25-E27 VanDerWaalsContact O-N 3.1Å; E27-G29 PolarHBondContact O-N 3.29Å |
| 28 | S | 78.8 | Confident | 87.4 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 57% | 0.573 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -75.3 | -3.5 | -179.2 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | P23 A25 P26 | P23-S28 WeakPolarHBondContact CB-OG 3.48Å; P23-S28 WeakPolarHBondContact CG-OG 3.23Å; A25-S28 PolarHBondContact O-N 3.04Å; A25-S28 PolarHBondContact O-OG 3.12Å; P26-S28 VanDerWaalsContact C-N 3.31Å; P26-S28 PolarHBondContact O-N 3.06Å |
| 29 | G | 85.8 | Confident | 87.4 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | trans | 69.6 | -168.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P23 E27 V31 | P23-G29 VanDerWaalsContact CD-O 3.31Å; P23-G29 WeakPolarHBondContact CD-O 3.45Å; P23-G29 VanDerWaalsContact CG-O 3.24Å; P23-G29 WeakPolarHBondContact CG-O 3.45Å; E27-G29 PolarHBondContact O-N 3.29Å; G29-V31 PolarHBondContact O-N 3.49Å | ||
| 30 | L | 88.2 | Confident | 87.5 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | trans | -66.6 | 128.1 | -176.9 | -179.9 | 67.3 | 0 | 0 | 0 | 111.7 | I21 K32 M35 V74 E77 A78 | I21-L30 HydrophobicContact CB-CD1 3.75Å; I21-L30 HydrophobicContact CD1-CD1 4.25Å; I21-L30 HydrophobicContact CG1-CD1 3.85Å; L30-K32 PolarHBondContact O-N 3.04Å; L30-M35 HydrophobicContact CD1-CB 4.36Å; L30-M35 HydrophobicContact CD1-CG 4.46Å; L30-M35 HydrophobicContact CD1-SD 4.01Å; L30-M35 HydrophobicContact CD2-CB 4.13Å; L30-M35 HydrophobicContact CD2-CG 3.8Å; L30-M35 HydrophobicContact CD2-SD 4.03Å; L30-M35 HydrophobicContact CG-CB 4.16Å; L30-M35 HydrophobicContact CG-CG 4.33Å; L30-M35 HydrophobicContact CG-SD 4.46Å; L30-V74 HydrophobicContact CB-CG1 4.32Å; L30-V74 HydrophobicContact CD1-CG1 3.72Å; L30-E77 HydrophobicContact CD2-CB 4.25Å; L30-E77 HydrophobicContact CD2-CG 3.83Å; L30-A78 HydrophobicContact CD1-CB 4.03Å | ||
| 31 | V | 90.6 | Very high | 87.5 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | trans | -73.5 | 92.5 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | I21 P23 G29 N33 N34 M35 | I21-V31 PolarHBondContact O-N 3.11Å; I21-V31 VanDerWaalsContact O-N 3.15Å; P23-V31 HydrophobicContact CB-CG2 4.16Å; G29-V31 PolarHBondContact O-N 3.49Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3.34Å; V31-N33 VanDerWaalsContact O-N 3.17Å; V31-N34 HydrophobicContact CB-CB 4.29Å; V31-N34 HydrophobicContact CG1-CB 4.11Å; V31-N34 PolarHBondContact O-N 3.46Å; V31-M35 PolarHBondContact O-N 3.27Å | ||
| 32 | K | 89.5 | Confident | 87.5 | Confident | 155 Ų | 155 | 66.3 Ų | 66.3 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -48.7 | -45.5 | -171.9 | -64.5 | -175 | 179 | -178.6 | 0 | 114.5 | L30 N34 M35 Q36 | L30-K32 PolarHBondContact O-N 3.04Å; K32-N34 VanDerWaalsContact C-N 3.32Å; K32-N34 PolarHBondContact O-N 3.12Å; K32-M35 WeakPolarHBondContact O-CB 3.39Å; K32-M35 PolarHBondContact O-N 3.44Å; K32-Q36 WeakPolarHBondContact O-CG 3.28Å; K32-Q36 PolarHBondContact O-N 3.42Å |
| 33 | N | 89.9 | Confident | 87.6 | Confident | 109 Ų | 109 | 70 Ų | 70 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.7 | -36.5 | 179.9 | -68.4 | -7.9 | 0 | 0 | 0 | 112.7 | V31 K37 | V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3.34Å; V31-N33 VanDerWaalsContact O-N 3.17Å; N33-K37 WeakPolarHBondContact O-CG 3.24Å; N33-K37 PolarHBondContact O-N 2.94Å |
| 34 | N | 91.8 | Very high | 87.8 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 24% | 0.235 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78.5 | -31.7 | 177.8 | -68.9 | -22.2 | 0 | 0 | 0 | 111.1 | A20 I21 V31 K32 K37 L38 | A20-N34 HydrophobicContact CB-CB 4.25Å; A20-N34 WeakPolarHBondContact O-CB 3.32Å; A20-N34 PolarHBondContact O-ND2 3.11Å; I21-N34 HydrophobicContact CG2-CB 4.34Å; V31-N34 HydrophobicContact CB-CB 4.29Å; V31-N34 HydrophobicContact CG1-CB 4.11Å; V31-N34 PolarHBondContact O-N 3.46Å; K32-N34 VanDerWaalsContact C-N 3.32Å; K32-N34 PolarHBondContact O-N 3.12Å; N34-K37 PolarHBondContact O-N 3.28Å; N34-L38 PolarHBondContact O-N 3.27Å |
| 35 | M | 93.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 171.2 | -169.5 | 65 | -144.6 | 0 | 0 | 111.7 | I21 L30 V31 K32 K37 L38 T39 A78 Q81 L82 | I21-M35 HydrophobicContact CD1-SD 4.5Å; I21-M35 HydrophobicContact CG2-SD 4.28Å; L30-M35 HydrophobicContact CD1-CB 4.36Å; L30-M35 HydrophobicContact CD1-CG 4.46Å; L30-M35 HydrophobicContact CD1-SD 4.01Å; L30-M35 HydrophobicContact CD2-CB 4.13Å; L30-M35 HydrophobicContact CD2-CG 3.8Å; L30-M35 HydrophobicContact CD2-SD 4.03Å; L30-M35 HydrophobicContact CG-CB 4.16Å; L30-M35 HydrophobicContact CG-CG 4.33Å; L30-M35 HydrophobicContact CG-SD 4.46Å; V31-M35 PolarHBondContact O-N 3.27Å; K32-M35 WeakPolarHBondContact O-CB 3.39Å; K32-M35 PolarHBondContact O-N 3.44Å; M35-K37 VanDerWaalsContact C-N 3.28Å; M35-K37 PolarHBondContact O-N 2.99Å; M35-L38 HydrophobicContact CE-CD2 4.11Å; M35-L38 CarbonylContact O-C 3.52Å; M35-L38 WeakPolarHBondContact O-CA 3.43Å; M35-L38 WeakPolarHBondContact O-CB 3.3Å; M35-L38 PolarHBondContact O-N 2.96Å; M35-L38 HydrophobicContact SD-CD2 4.22Å; M35-T39 WeakPolarHBondContact CE-OG1 3.45Å; M35-T39 PolarHBondContact O-N 2.91Å; M35-T39 PolarHBondContact O-OG1 2.76Å; M35-T39 VanDerWaalsContact O-OG1 3.09Å; M35-A78 HydrophobicContact CE-CB 4.13Å; M35-A78 WeakPolarHBondContact CE-O 3.18Å; M35-A78 HydrophobicContact SD-CB 3.63Å; M35-Q81 HydrophobicContact CE-CB 4.12Å; M35-Q81 VanDerWaalsContact CG-OE1 3.25Å; M35-L82 HydrophobicContact CE-CD1 4.2Å; M35-L82 HydrophobicContact CE-CD2 3.96Å; M35-L82 HydrophobicContact CE-CG 3.6Å |
| 36 | Q | 92.3 | Very high | 88.7 | Confident | 130 Ų | 130 | 68 Ų | 68 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.9 | -41.4 | 175.8 | -73 | 174.8 | -8.5 | 0 | 0 | 112.2 | K32 T39 F40 | K32-Q36 WeakPolarHBondContact O-CG 3.28Å; K32-Q36 PolarHBondContact O-N 3.42Å; Q36-T39 PolarHBondContact O-N 3.17Å; Q36-F40 WeakPolarHBondContact O-CB 3.28Å; Q36-F40 PolarHBondContact O-N 3.49Å |
| 37 | K | 93.4 | Very high | 89.5 | Confident | 123 Ų | 123 | 70.2 Ų | 70.2 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 174.6 | -69 | 172.6 | -174.7 | 172.2 | 0 | 112.2 | L17 N33 N34 M35 Y41 | L17-K37 HydrophobicContact CD2-CB 4.35Å; N33-K37 WeakPolarHBondContact O-CG 3.24Å; N33-K37 PolarHBondContact O-N 2.94Å; N34-K37 PolarHBondContact O-N 3.28Å; M35-K37 VanDerWaalsContact C-N 3.28Å; M35-K37 PolarHBondContact O-N 2.99Å; K37-Y41 VanDerWaalsContact O-CB 3.3Å; K37-Y41 WeakPolarHBondContact O-CB 3.43Å; K37-Y41 PolarHBondContact O-N 2.95Å |
| 38 | L | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -44.9 | 176.5 | 180 | 63.9 | 0 | 0 | 0 | 111.2 | L17 V18 I21 N34 M35 Y41 A42 I52 L82 | L17-L38 HydrophobicContact CB-CD1 3.82Å; V18-L38 HydrophobicContact CG2-CD1 3.83Å; V18-L38 HydrophobicContact CG2-CD2 3.99Å; I21-L38 HydrophobicContact CD1-CD2 4.05Å; I21-L38 HydrophobicContact CG2-CB 4.31Å; I21-L38 HydrophobicContact CG2-CD2 3.89Å; N34-L38 PolarHBondContact O-N 3.27Å; M35-L38 HydrophobicContact CE-CD2 4.11Å; M35-L38 CarbonylContact O-C 3.52Å; M35-L38 WeakPolarHBondContact O-CA 3.43Å; M35-L38 WeakPolarHBondContact O-CB 3.3Å; M35-L38 PolarHBondContact O-N 2.96Å; M35-L38 HydrophobicContact SD-CD2 4.22Å; L38-Y41 WeakPolarHBondContact O-CB 3.11Å; L38-Y41 PolarHBondContact O-N 2.68Å; L38-A42 WeakPolarHBondContact O-CB 3.23Å; L38-A42 PolarHBondContact O-N 2.98Å; L38-I52 HydrophobicContact CD1-CD1 4.19Å; L38-I52 HydrophobicContact CD1-CG2 4.33Å; L38-L82 HydrophobicContact CD2-CD1 4.16Å; L38-L82 HydrophobicContact CG-CD1 4.5Å; L38-L82 HydrophobicContact CG-CD2 4.45Å |
| 39 | T | 92.8 | Very high | 90.9 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.3 | -58 | 0 | 0 | 0 | 0 | 111.2 | M35 Q36 Y41 A42 I43 A85 | M35-T39 WeakPolarHBondContact CE-OG1 3.45Å; M35-T39 PolarHBondContact O-N 2.91Å; M35-T39 PolarHBondContact O-OG1 2.76Å; M35-T39 VanDerWaalsContact O-OG1 3.09Å; Q36-T39 PolarHBondContact O-N 3.17Å; T39-Y41 VanDerWaalsContact C-N 3.29Å; T39-Y41 PolarHBondContact O-N 2.82Å; T39-A42 PolarHBondContact O-N 3.23Å; T39-I43 HydrophobicContact CG2-CD1 3.87Å; T39-I43 WeakPolarHBondContact O-CG1 3.41Å; T39-I43 PolarHBondContact O-N 3.08Å; T39-A85 HydrophobicContact CG2-CB 3.35Å |
| 40 | F | 92 | Very high | 91.1 | Very high | 151 Ų | 151 | 61.2 Ų | 61.2 | 66% | 0.662 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.2 | -42.6 | 175.7 | -179.6 | -96.4 | 0 | 0 | 0 | 111.8 | Q36 S44 | Q36-F40 WeakPolarHBondContact O-CB 3.28Å; Q36-F40 PolarHBondContact O-N 3.49Å; F40-S44 VanDerWaalsContact O-CB 3.31Å; F40-S44 WeakPolarHBondContact O-CB 3.43Å; F40-S44 PolarHBondContact O-N 3.29Å; F40-S44 PolarHBondContact O-OG 3.01Å |
| 41 | Y | 93.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 9% | 0.09 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177 | -179.3 | -98.4 | 0 | 0 | 0 | 112.5 | R13 L17 K37 L38 T39 S44 H45 K48 I52 | R13-Y41 HydrophobicContact CG-CE2 4.5Å; L17-Y41 HydrophobicContact CD1-CD1 3.81Å; L17-Y41 HydrophobicContact CD1-CD2 3.89Å; L17-Y41 HydrophobicContact CD1-CE1 4.5Å; L17-Y41 HydrophobicContact CD1-CG 3.46Å; L17-Y41 VanDerWaalsContact CD1-CG 3.46Å; K37-Y41 VanDerWaalsContact O-CB 3.3Å; K37-Y41 WeakPolarHBondContact O-CB 3.43Å; K37-Y41 PolarHBondContact O-N 2.95Å; L38-Y41 WeakPolarHBondContact O-CB 3.11Å; L38-Y41 PolarHBondContact O-N 2.68Å; T39-Y41 VanDerWaalsContact C-N 3.29Å; T39-Y41 PolarHBondContact O-N 2.82Å; Y41-S44 PolarHBondContact O-N 3.09Å; Y41-H45 AromaticContact CD2-CE1 3.91Å; Y41-H45 AromaticContact CD2-ND1 3.6Å; Y41-H45 AromaticContact CE2-CE1 3.71Å; Y41-H45 AromaticContact CE2-ND1 3.51Å; Y41-H45 PolarHBondContact O-N 3.35Å; Y41-H45 PolarHBondContact O-ND1 2.84Å; Y41-H45 VanDerWaalsContact O-ND1 3.16Å; Y41-K48 HydrophobicContact CE1-CB 4.26Å; Y41-K48 HydrophobicContact CE1-CG 4.41Å; Y41-I52 HydrophobicContact CD1-CD1 4.12Å; Y41-I52 HydrophobicContact CE1-CD1 4.33Å |
| 42 | A | 91.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L38 T39 H45 L49 I52 L82 | L38-A42 WeakPolarHBondContact O-CB 3.23Å; L38-A42 PolarHBondContact O-N 2.98Å; T39-A42 PolarHBondContact O-N 3.23Å; A42-H45 CarbonylContact O-C 3.58Å; A42-H45 PolarHBondContact O-N 3.37Å; A42-L49 HydrophobicContact CB-CD1 4.02Å; A42-I52 HydrophobicContact CB-CD1 4.11Å; A42-L82 HydrophobicContact CB-CD2 3.73Å |
| 43 | I | 90.5 | Very high | 91.6 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 174.3 | -65.5 | 168.3 | 0 | 0 | 0 | 110.7 | T39 H45 A85 | T39-I43 HydrophobicContact CG2-CD1 3.87Å; T39-I43 WeakPolarHBondContact O-CG1 3.41Å; T39-I43 PolarHBondContact O-N 3.08Å; I43-H45 VanDerWaalsContact C-N 3.31Å; I43-H45 PolarHBondContact O-N 2.84Å; I43-A85 HydrophobicContact CD1-CB 4.34Å |
| 44 | S | 90.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 53 Ų | 53 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.5 | -22.5 | -179 | -56 | 0 | 0 | 0 | 0 | 113.7 | F40 Y41 | F40-S44 VanDerWaalsContact O-CB 3.31Å; F40-S44 WeakPolarHBondContact O-CB 3.43Å; F40-S44 PolarHBondContact O-N 3.29Å; F40-S44 PolarHBondContact O-OG 3.01Å; Y41-S44 PolarHBondContact O-N 3.09Å |
| 45 | H | 90.8 | Very high | 92 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | trans | -134.6 | 71 | -176.9 | -55.8 | 81.6 | 0 | 0 | 0 | 110 | Y41 A42 I43 E47 K48 | Y41-H45 AromaticContact CD2-CE1 3.91Å; Y41-H45 AromaticContact CD2-ND1 3.6Å; Y41-H45 AromaticContact CE2-CE1 3.71Å; Y41-H45 AromaticContact CE2-ND1 3.51Å; Y41-H45 PolarHBondContact O-N 3.35Å; Y41-H45 PolarHBondContact O-ND1 2.84Å; Y41-H45 VanDerWaalsContact O-ND1 3.16Å; A42-H45 CarbonylContact O-C 3.58Å; A42-H45 PolarHBondContact O-N 3.37Å; I43-H45 VanDerWaalsContact C-N 3.31Å; I43-H45 PolarHBondContact O-N 2.84Å; H45-E47 WeakPolarHBondContact CA-OE2 3.46Å; H45-E47 PolarHBondContact O-N 2.98Å; H45-E47 VanDerWaalsContact O-N 3.16Å; H45-K48 HydrophobicContact CB-CB 4.34Å; H45-K48 HydrophobicContact CB-CG 3.92Å; H45-K48 WeakPolarHBondContact O-CB 3.1Å; H45-K48 PolarHBondContact O-N 3.13Å | ||
| 46 | P | 87.7 | Confident | 92 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -57.2 | -33.5 | -174.8 | 23.3 | -33.9 | 0 | 0 | 0 | 112.1 | K48 L49 S89 P90 S91 | P46-K48 PolarHBondContact O-N 3.4Å; P46-L49 WeakPolarHBondContact O-CB 3.47Å; P46-L49 PolarHBondContact O-N 3Å; P46-S89 WeakPolarHBondContact CB-OG 3.36Å; P46-P90 HydrophobicContact CB-CG 4.48Å; P46-S91 VanDerWaalsContact O-CB 3.3Å; P46-S91 WeakPolarHBondContact O-CB 3.36Å; P46-S91 PolarHBondContact O-OG 3.01Å |
| 47 | E | 88.9 | Confident | 92.1 | Very high | 103 Ų | 103 | 46.5 Ų | 46.5 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -64.6 | -12 | 177.8 | 80.9 | -66.9 | 164.8 | 0 | 0 | 114.2 | H45 | H45-E47 WeakPolarHBondContact CA-OE2 3.46Å; H45-E47 PolarHBondContact O-N 2.98Å; H45-E47 VanDerWaalsContact O-N 3.16Å |
| 48 | K | 90.3 | Very high | 92.1 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 22% | 0.222 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -95.9 | -12.7 | 173.3 | -55 | -55.2 | 178.8 | -146.1 | 0 | 113.2 | Y41 H45 P46 D50 R51 I52 | Y41-K48 HydrophobicContact CE1-CB 4.26Å; Y41-K48 HydrophobicContact CE1-CG 4.41Å; H45-K48 HydrophobicContact CB-CB 4.34Å; H45-K48 HydrophobicContact CB-CG 3.92Å; H45-K48 WeakPolarHBondContact O-CB 3.1Å; H45-K48 PolarHBondContact O-N 3.13Å; P46-K48 PolarHBondContact O-N 3.4Å; K48-D50 VanDerWaalsContact C-N 3.32Å; K48-D50 PolarHBondContact O-N 3.36Å; K48-R51 WeakPolarHBondContact O-CB 3.41Å; K48-R51 PolarHBondContact O-N 2.89Å; K48-R51 VanDerWaalsContact O-N 3.08Å; K48-I52 HydrophobicContact CB-CD1 4.48Å; K48-I52 WeakPolarHBondContact O-CG1 3.47Å; K48-I52 PolarHBondContact O-N 3.38Å |
| 49 | L | 91.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -45.7 | -176 | -176.8 | 66.5 | 0 | 0 | 0 | 111.4 | A42 P46 R51 I52 G53 C86 Y95 | A42-L49 HydrophobicContact CB-CD1 4.02Å; P46-L49 WeakPolarHBondContact O-CB 3.47Å; P46-L49 PolarHBondContact O-N 3Å; L49-R51 PolarHBondContact O-N 3.02Å; L49-I52 WeakPolarHBondContact O-CB 3.38Å; L49-I52 PolarHBondContact O-N 3.2Å; L49-I52 VanDerWaalsContact O-N 3.14Å; L49-G53 PolarHBondContact O-N 3.26Å; L49-C86 HydrophobicContact CD1-CB 4.15Å; L49-C86 HydrophobicContact CD2-CB 3.75Å; L49-Y95 HydrophobicContact CD1-CD2 3.78Å; L49-Y95 HydrophobicContact CD1-CE2 4.08Å; L49-Y95 HydrophobicContact CD1-CG 4.19Å; L49-Y95 HydrophobicContact CD2-CD2 4.44Å; L49-Y95 HydrophobicContact CD2-CG 4.07Å; L49-Y95 HydrophobicContact CG-CD2 3.68Å; L49-Y95 HydrophobicContact CG-CE2 4.47Å; L49-Y95 HydrophobicContact CG-CG 3.81Å; L49-Y95 WeakPolarHBondContact O-CD2 3.25Å |
| 50 | D | 90.2 | Very high | 92.1 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.7 | -49.4 | 174 | 170.4 | 46.4 | 0 | 0 | 0 | 112.1 | K48 I52 G53 G54 L94 | K48-D50 VanDerWaalsContact C-N 3.32Å; K48-D50 PolarHBondContact O-N 3.36Å; D50-I52 VanDerWaalsContact C-N 3.26Å; D50-I52 PolarHBondContact O-N 3.49Å; D50-G53 PolarHBondContact O-N 3.05Å; D50-G53 VanDerWaalsContact O-N 3.12Å; D50-G54 PolarHBondContact O-N 2.77Å; D50-L94 HydrophobicContact CB-CB 3.74Å; D50-L94 HydrophobicContact CB-CD1 4.2Å |
| 51 | R | 92.3 | Very high | 92 | Very high | 136 Ų | 136 | 41.1 Ų | 41.1 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -33.1 | 179.2 | -60.9 | -177.7 | -178.1 | -172.9 | -0.3 | 112.7 | Y14 K48 L49 Y55 | Y14-R51 HydrophobicContact CE1-CB 4.49Å; Y14-R51 HydrophobicContact CE2-CB 4.15Å; K48-R51 WeakPolarHBondContact O-CB 3.41Å; K48-R51 PolarHBondContact O-N 2.89Å; K48-R51 VanDerWaalsContact O-N 3.08Å; L49-R51 PolarHBondContact O-N 3.02Å; R51-Y55 VanDerWaalsContact O-CB 3.32Å; R51-Y55 WeakPolarHBondContact O-CB 3.28Å; R51-Y55 PolarHBondContact O-N 2.8Å; R51-Y55 VanDerWaalsContact O-N 3.15Å |
| 52 | I | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -50.9 | 174.1 | -67.4 | 165.5 | 0 | 0 | 0 | 109.3 | Y14 V18 L38 Y41 A42 K48 L49 D50 G54 Y55 L56 L82 | Y14-I52 HydrophobicContact CD2-CG1 4.01Å; Y14-I52 HydrophobicContact CG-CG1 4.33Å; V18-I52 HydrophobicContact CG2-CG2 3.9Å; L38-I52 HydrophobicContact CD1-CD1 4.19Å; L38-I52 HydrophobicContact CD1-CG2 4.33Å; Y41-I52 HydrophobicContact CD1-CD1 4.12Å; Y41-I52 HydrophobicContact CE1-CD1 4.33Å; A42-I52 HydrophobicContact CB-CD1 4.11Å; K48-I52 HydrophobicContact CB-CD1 4.48Å; K48-I52 WeakPolarHBondContact O-CG1 3.47Å; K48-I52 PolarHBondContact O-N 3.38Å; L49-I52 WeakPolarHBondContact O-CB 3.38Å; L49-I52 PolarHBondContact O-N 3.2Å; L49-I52 VanDerWaalsContact O-N 3.14Å; D50-I52 VanDerWaalsContact C-N 3.26Å; D50-I52 PolarHBondContact O-N 3.49Å; I52-G54 PolarHBondContact O-N 3.28Å; I52-Y55 PolarHBondContact O-N 3.23Å; I52-L56 HydrophobicContact CG2-CD1 3.89Å; I52-L56 PolarHBondContact O-N 2.71Å; I52-L82 HydrophobicContact CG2-CD1 3.75Å |
| 53 | G | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.6 | -50.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 D50 Y55 L56 S57 S98 | L49-G53 PolarHBondContact O-N 3.26Å; D50-G53 PolarHBondContact O-N 3.05Å; D50-G53 VanDerWaalsContact O-N 3.12Å; G53-Y55 VanDerWaalsContact C-N 3.26Å; G53-Y55 PolarHBondContact O-N 3.32Å; G53-L56 PolarHBondContact O-N 3.42Å; G53-S57 WeakPolarHBondContact O-CB 3.37Å; G53-S57 PolarHBondContact O-N 3.31Å; G53-S98 VanDerWaalsContact C-CB 3.42Å |
| 54 | G | 93.6 | Very high | 92 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -24.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D50 I52 R58 S98 | D50-G54 PolarHBondContact O-N 2.77Å; I52-G54 PolarHBondContact O-N 3.28Å; G54-R58 WeakPolarHBondContact O-CB 3.43Å; G54-R58 WeakPolarHBondContact O-CG 3.1Å; G54-R58 PolarHBondContact O-N 3.11Å; G54-R58 PolarHBondContact O-NE 3.46Å; G54-S98 WeakPolarHBondContact CA-OG 3.29Å; G54-S98 PolarHBondContact N-OG 2.9Å |
| 55 | Y | 95.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 13% | 0.129 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.6 | -44.9 | 172.1 | -175.7 | -116.1 | 0 | 0 | 0 | 111.8 | R15 V18 D19 R51 I52 G53 R58 R59 | R15-Y55 HydrophobicContact CB-CE1 4.39Å; R15-Y55 HydrophobicContact CG-CD1 4.33Å; R15-Y55 HydrophobicContact CG-CD2 4.49Å; R15-Y55 HydrophobicContact CG-CE1 4.33Å; R15-Y55 HydrophobicContact CG-CE2 4.47Å; R15-Y55 HydrophobicContact CG-CG 4.43Å; V18-Y55 HydrophobicContact CB-CD1 3.92Å; V18-Y55 HydrophobicContact CB-CE1 4.05Å; V18-Y55 HydrophobicContact CG1-CD1 3.6Å; V18-Y55 HydrophobicContact CG1-CE1 3.7Å; V18-Y55 HydrophobicContact CG2-CD1 4.29Å; D19-Y55 PolarHBondContact OD1-OH 3.3Å; D19-Y55 VanDerWaalsContact OD1-OH 3.12Å; R51-Y55 VanDerWaalsContact O-CB 3.32Å; R51-Y55 WeakPolarHBondContact O-CB 3.28Å; R51-Y55 PolarHBondContact O-N 2.8Å; R51-Y55 VanDerWaalsContact O-N 3.15Å; I52-Y55 PolarHBondContact O-N 3.23Å; G53-Y55 VanDerWaalsContact C-N 3.26Å; G53-Y55 PolarHBondContact O-N 3.32Å; Y55-R58 PolarHBondContact O-N 3.43Å; Y55-R59 WeakPolarHBondContact O-CB 3.4Å; Y55-R59 PolarHBondContact O-N 3.25Å |
| 56 | L | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 175.9 | -75.9 | 167.5 | 0 | 0 | 0 | 111.6 | V18 I21 I52 G53 R58 R59 V60 M79 L82 | V18-L56 HydrophobicContact CG1-CD2 3.47Å; V18-L56 VanDerWaalsContact CG1-CD2 3.47Å; V18-L56 HydrophobicContact CG1-CG 3.97Å; V18-L56 HydrophobicContact CG2-CG 4.49Å; I21-L56 HydrophobicContact CD1-CD2 4.17Å; I52-L56 HydrophobicContact CG2-CD1 3.89Å; I52-L56 PolarHBondContact O-N 2.71Å; G53-L56 PolarHBondContact O-N 3.42Å; L56-R58 PolarHBondContact O-N 3Å; L56-R59 CarbonylContact O-C 3.57Å; L56-R59 WeakPolarHBondContact O-CA 3.33Å; L56-R59 WeakPolarHBondContact O-CB 3.43Å; L56-R59 PolarHBondContact O-N 3.49Å; L56-V60 WeakPolarHBondContact O-CG2 3.29Å; L56-V60 PolarHBondContact O-N 2.89Å; L56-M79 HydrophobicContact CB-CG 3.72Å; L56-M79 HydrophobicContact CB-SD 3.55Å; L56-M79 VanDerWaalsContact CB-SD 3.55Å; L56-M79 HydrophobicContact CD1-CG 3.59Å; L56-M79 HydrophobicContact CG-CG 4.2Å; L56-L82 HydrophobicContact CD1-CD1 3.88Å |
| 57 | S | 93.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 113 | G53 R59 V60 G61 S98 R105 | G53-S57 WeakPolarHBondContact O-CB 3.37Å; G53-S57 PolarHBondContact O-N 3.31Å; S57-R59 VanDerWaalsContact C-N 3.34Å; S57-R59 PolarHBondContact O-N 3.31Å; S57-V60 PolarHBondContact O-N 3.39Å; S57-G61 PolarHBondContact O-N 2.99Å; S57-G61 VanDerWaalsContact O-N 3.08Å; S57-S98 VanDerWaalsContact CB-O 3.32Å; S57-S98 WeakPolarHBondContact CB-O 3.31Å; S57-S98 PolarHBondContact OG-O 3.31Å; S57-S98 VanDerWaalsContact OG-O 3.09Å; S57-R105 PolarHBondContact O-NH1 3.05Å |
| 58 | R | 94.1 | Very high | 91.8 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 172.3 | -80.2 | -177.3 | -67.7 | 158.7 | -6.9 | 112.4 | G54 Y55 L56 G61 R62 | G54-R58 WeakPolarHBondContact O-CB 3.43Å; G54-R58 WeakPolarHBondContact O-CG 3.1Å; G54-R58 PolarHBondContact O-N 3.11Å; G54-R58 PolarHBondContact O-NE 3.46Å; Y55-R58 PolarHBondContact O-N 3.43Å; L56-R58 PolarHBondContact O-N 3Å; R58-G61 PolarHBondContact O-N 2.88Å; R58-R62 PolarHBondContact O-N 3.5Å; R58-R62 VanDerWaalsContact O-N 3.08Å |
| 59 | R | 92.5 | Very high | 91.6 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.3 | -179.2 | 159 | -175.9 | 169.6 | 0.8 | 111.8 | D19 Y22 Y55 L56 S57 G61 R62 D63 | D19-R59 IonicContact OD1-CZ 2.6Å; D19-R59 IonicContact OD1-NH1 3.77Å; D19-R59 PolarHBondContact OD1-NH1 3.46Å; Y22-R59 VanDerWaalsContact CD2-NH2 3.28Å; Y22-R59 VanDerWaalsContact CE2-NH1 3.27Å; Y22-R59 VanDerWaalsContact CG-NH2 3.31Å; Y22-R59 VanDerWaalsContact CZ-NE 3.27Å; Y22-R59 VanDerWaalsContact OH-CD 3.3Å; Y22-R59 WeakPolarHBondContact OH-CD 3.49Å; Y55-R59 WeakPolarHBondContact O-CB 3.4Å; Y55-R59 PolarHBondContact O-N 3.25Å; L56-R59 CarbonylContact O-C 3.57Å; L56-R59 WeakPolarHBondContact O-CA 3.33Å; L56-R59 WeakPolarHBondContact O-CB 3.43Å; L56-R59 PolarHBondContact O-N 3.49Å; S57-R59 VanDerWaalsContact C-N 3.34Å; S57-R59 PolarHBondContact O-N 3.31Å; R59-G61 VanDerWaalsContact C-N 3.33Å; R59-G61 PolarHBondContact O-N 3.27Å; R59-R62 PolarHBondContact O-N 2.86Å; R59-D63 VanDerWaalsContact CG-OD2 3.31Å; R59-D63 WeakPolarHBondContact CG-OD2 3.38Å; R59-D63 IonicContact NE-OD2 3.47Å; R59-D63 WeakPolarHBondContact O-CB 3.22Å; R59-D63 VanDerWaalsContact O-CG 3.22Å; R59-D63 PolarHBondContact O-N 3.08Å |
| 60 | V | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.9 | -50.7 | 172 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | L56 S57 R62 D63 V64 V72 A75 M102 L106 | L56-V60 WeakPolarHBondContact O-CG2 3.29Å; L56-V60 PolarHBondContact O-N 2.89Å; S57-V60 PolarHBondContact O-N 3.39Å; V60-R62 VanDerWaalsContact C-N 3.32Å; V60-R62 PolarHBondContact O-N 2.87Å; V60-D63 PolarHBondContact O-N 3.37Å; V60-D63 VanDerWaalsContact O-N 3.14Å; V60-V64 HydrophobicContact CG1-CG2 4.09Å; V60-V64 WeakPolarHBondContact O-CB 3.33Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.31Å; V60-V64 PolarHBondContact O-N 2.89Å; V60-V72 HydrophobicContact CG1-CG1 4.25Å; V60-A75 HydrophobicContact CG2-CB 3.44Å; V60-A75 VanDerWaalsContact CG2-CB 3.44Å; V60-M102 HydrophobicContact CB-CG 4.33Å; V60-M102 HydrophobicContact CG1-CG 4.05Å; V60-M102 HydrophobicContact CG2-CG 4.07Å; V60-M102 HydrophobicContact CG2-SD 4.47Å; V60-L106 HydrophobicContact CG1-CD2 4.02Å; V60-L106 HydrophobicContact CG1-CG 4.44Å |
| 61 | G | 90.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S57 R58 R59 L65 | S57-G61 PolarHBondContact O-N 2.99Å; S57-G61 VanDerWaalsContact O-N 3.08Å; R58-G61 PolarHBondContact O-N 2.88Å; R59-G61 VanDerWaalsContact C-N 3.33Å; R59-G61 PolarHBondContact O-N 3.27Å; G61-L65 VanDerWaalsContact O-CG 3.27Å; G61-L65 WeakPolarHBondContact O-CG 3.28Å; G61-L65 PolarHBondContact O-N 2.68Å; G61-L65 VanDerWaalsContact O-N 3.11Å |
| 62 | R | 92.3 | Very high | 91.4 | Very high | 96 Ų | 96 | 49 Ų | 49 | 36% | 0.362 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 175.8 | -177.1 | -172 | 65.3 | -161.1 | -3 | 112.3 | R58 R59 V60 L65 R66 | R58-R62 PolarHBondContact O-N 3.5Å; R58-R62 VanDerWaalsContact O-N 3.08Å; R59-R62 PolarHBondContact O-N 2.86Å; V60-R62 VanDerWaalsContact C-N 3.32Å; V60-R62 PolarHBondContact O-N 2.87Å; R62-L65 PolarHBondContact O-N 3.14Å; R62-R66 WeakPolarHBondContact O-CB 3.46Å; R62-R66 VanDerWaalsContact O-CG 3.3Å; R62-R66 WeakPolarHBondContact O-CG 3.47Å; R62-R66 PolarHBondContact O-N 3.26Å; R62-R66 VanDerWaalsContact O-N 3.09Å |
| 63 | D | 91.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.6 | -31.9 | -174.9 | -65.6 | -12.4 | 0 | 0 | 0 | 111 | R59 V60 R66 Q67 R68 H71 V72 | R59-D63 VanDerWaalsContact CG-OD2 3.31Å; R59-D63 WeakPolarHBondContact CG-OD2 3.38Å; R59-D63 IonicContact NE-OD2 3.47Å; R59-D63 WeakPolarHBondContact O-CB 3.22Å; R59-D63 VanDerWaalsContact O-CG 3.22Å; R59-D63 PolarHBondContact O-N 3.08Å; V60-D63 PolarHBondContact O-N 3.37Å; V60-D63 VanDerWaalsContact O-N 3.14Å; D63-R66 CarbonylContact O-C 3.58Å; D63-R66 PolarHBondContact O-N 2.97Å; D63-Q67 PolarHBondContact O-N 3.39Å; D63-Q67 VanDerWaalsContact O-N 3.16Å; D63-R68 HydrophobicContact CB-CB 4.23Å; D63-R68 PolarHBondContact O-N 3.22Å; D63-H71 HydrophobicContact CB-CB 4.49Å; D63-V72 HydrophobicContact CB-CG2 3.82Å |
| 64 | V | 90.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -50.4 | 166.8 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | V60 R66 Q67 V72 L106 T109 | V60-V64 HydrophobicContact CG1-CG2 4.09Å; V60-V64 WeakPolarHBondContact O-CB 3.33Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.31Å; V60-V64 PolarHBondContact O-N 2.89Å; V64-R66 PolarHBondContact O-N 3.22Å; V64-Q67 PolarHBondContact O-N 3.48Å; V64-V72 HydrophobicContact CG2-CG1 4.14Å; V64-V72 HydrophobicContact CG2-CG2 3.73Å; V64-L106 HydrophobicContact CG2-CD2 4.17Å; V64-T109 HydrophobicContact CG1-CG2 3.51Å; V64-T109 HydrophobicContact CG2-CG2 4.48Å |
| 65 | L | 89.2 | Confident | 91.3 | Very high | 150 Ų | 150 | 54 Ų | 54 | 79% | 0.785 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.9 | -30.5 | 177.4 | -72.8 | 170.1 | 0 | 0 | 0 | 112.8 | G61 R62 Q67 | G61-L65 VanDerWaalsContact O-CG 3.27Å; G61-L65 WeakPolarHBondContact O-CG 3.28Å; G61-L65 PolarHBondContact O-N 2.68Å; G61-L65 VanDerWaalsContact O-N 3.11Å; R62-L65 PolarHBondContact O-N 3.14Å; L65-Q67 VanDerWaalsContact C-N 3.35Å |
| 66 | R | 90.4 | Very high | 91.3 | Very high | 139 Ų | 139 | 52.5 Ų | 52.5 | 53% | 0.525 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 6.2 | 178.3 | -68.4 | 176.3 | 178.5 | -165.5 | -3.5 | 113.7 | R62 D63 V64 R68 | R62-R66 WeakPolarHBondContact O-CB 3.46Å; R62-R66 VanDerWaalsContact O-CG 3.3Å; R62-R66 WeakPolarHBondContact O-CG 3.47Å; R62-R66 PolarHBondContact O-N 3.26Å; R62-R66 VanDerWaalsContact O-N 3.09Å; D63-R66 CarbonylContact O-C 3.58Å; D63-R66 PolarHBondContact O-N 2.97Å; V64-R66 PolarHBondContact O-N 3.22Å; R66-R68 HydrophobicContact CB-CG 4.03Å; R66-R68 PolarHBondContact O-N 3.02Å |
| 67 | Q | 86 | Confident | 91.2 | Very high | 132 Ų | 132 | 56.2 Ų | 56.2 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 31 | -177.5 | -61.4 | -64 | -33.2 | 0 | 0 | 113.6 | D63 V64 L65 I69 | D63-Q67 PolarHBondContact O-N 3.39Å; D63-Q67 VanDerWaalsContact O-N 3.16Å; V64-Q67 PolarHBondContact O-N 3.48Å; L65-Q67 VanDerWaalsContact C-N 3.35Å; Q67-I69 VanDerWaalsContact C-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.48Å; Q67-I69 VanDerWaalsContact O-N 3.17Å |
| 68 | R | 88.4 | Confident | 91.2 | Very high | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 25% | 0.25 | S | S | . | . | trans | -90.9 | 66.2 | -179.9 | -71.4 | -177.1 | -174.4 | -165 | -2.5 | 111 | D63 R66 G70 H71 V72 | D63-R68 HydrophobicContact CB-CB 4.23Å; D63-R68 PolarHBondContact O-N 3.22Å; R66-R68 HydrophobicContact CB-CG 4.03Å; R66-R68 PolarHBondContact O-N 3.02Å; R68-G70 VanDerWaalsContact C-N 3.33Å; R68-G70 PolarHBondContact O-N 3.29Å; R68-H71 HydrophobicContact CB-CB 4.35Å; R68-H71 PolarHBondContact O-N 2.86Å; R68-H71 VanDerWaalsContact O-N 3.1Å; R68-V72 PolarHBondContact O-N 3.38Å; R68-V72 VanDerWaalsContact O-N 3.12Å | ||
| 69 | I | 87 | Confident | 91.3 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.7 | -42.6 | -170.6 | -62.7 | 174.1 | 0 | 0 | 0 | 112.8 | Q67 H71 V72 R73 M114 | Q67-I69 VanDerWaalsContact C-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.48Å; Q67-I69 VanDerWaalsContact O-N 3.17Å; I69-H71 PolarHBondContact O-N 2.68Å; I69-V72 WeakPolarHBondContact O-CB 3.32Å; I69-V72 PolarHBondContact O-N 3.4Å; I69-V72 VanDerWaalsContact O-N 3.16Å; I69-R73 PolarHBondContact O-N 3.44Å; I69-M114 HydrophobicContact CG2-CE 3.5Å; I69-M114 HydrophobicContact CG2-SD 4.43Å |
| 70 | G | 88.3 | Confident | 91.4 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R68 V72 R73 V74 | R68-G70 VanDerWaalsContact C-N 3.33Å; R68-G70 PolarHBondContact O-N 3.29Å; G70-V72 VanDerWaalsContact C-N 3.35Å; G70-R73 PolarHBondContact O-N 3.09Å; G70-V74 WeakPolarHBondContact O-CG2 3.44Å; G70-V74 PolarHBondContact O-N 3.21Å; G70-V74 VanDerWaalsContact O-N 3.15Å |
| 71 | H | 89.7 | Confident | 91.4 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.6 | -33.2 | 174.9 | -67.1 | -57.3 | 0 | 0 | 0 | 112.6 | Y22 D63 R68 I69 V74 A75 | Y22-H71 HydrophobicContact CD1-CB 4.38Å; Y22-H71 AromaticContact CD1-ND1 3.89Å; Y22-H71 HydrophobicContact CE1-CB 4.42Å; D63-H71 HydrophobicContact CB-CB 4.49Å; R68-H71 HydrophobicContact CB-CB 4.35Å; R68-H71 PolarHBondContact O-N 2.86Å; R68-H71 VanDerWaalsContact O-N 3.1Å; I69-H71 PolarHBondContact O-N 2.68Å; H71-V74 PolarHBondContact O-N 3.49Å; H71-A75 WeakPolarHBondContact O-CB 3.36Å; H71-A75 PolarHBondContact O-N 2.9Å |
| 72 | V | 92.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 172.3 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | V60 D63 V64 R68 I69 G70 V74 A75 V76 L106 M114 | V60-V72 HydrophobicContact CG1-CG1 4.25Å; D63-V72 HydrophobicContact CB-CG2 3.82Å; V64-V72 HydrophobicContact CG2-CG1 4.14Å; V64-V72 HydrophobicContact CG2-CG2 3.73Å; R68-V72 PolarHBondContact O-N 3.38Å; R68-V72 VanDerWaalsContact O-N 3.12Å; I69-V72 WeakPolarHBondContact O-CB 3.32Å; I69-V72 PolarHBondContact O-N 3.4Å; I69-V72 VanDerWaalsContact O-N 3.16Å; G70-V72 VanDerWaalsContact C-N 3.35Å; V72-V74 PolarHBondContact O-N 2.8Å; V72-A75 WeakPolarHBondContact O-CB 3.49Å; V72-A75 PolarHBondContact O-N 3.46Å; V72-A75 VanDerWaalsContact O-N 3.13Å; V72-V76 HydrophobicContact CG1-CG2 4.25Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.32Å; V72-V76 PolarHBondContact O-N 2.93Å; V72-L106 HydrophobicContact CG1-CD2 3.48Å; V72-L106 VanDerWaalsContact CG1-CD2 3.48Å; V72-M114 HydrophobicContact CG1-SD 4Å |
| 73 | R | 92.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 47.6 Ų | 47.6 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.8 | -46.2 | 177.7 | -69.9 | -178.7 | 179.2 | -167.7 | 0.9 | 112.3 | I69 G70 A75 V76 E77 D113 L117 | I69-R73 PolarHBondContact O-N 3.44Å; G70-R73 PolarHBondContact O-N 3.09Å; R73-A75 VanDerWaalsContact C-N 3.33Å; R73-A75 PolarHBondContact O-N 3.36Å; R73-V76 PolarHBondContact O-N 2.68Å; R73-E77 WeakPolarHBondContact O-CB 3.49Å; R73-E77 PolarHBondContact O-N 3.01Å; R73-D113 IonicContact NH2-OD2 3.8Å; R73-D113 PolarHBondContact NH2-OD2 2.95Å; R73-L117 HydrophobicContact CG-CD2 4.11Å |
| 74 | V | 92 | Very high | 91.5 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.4 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | I21 Y22 L30 G70 H71 V72 A78 | I21-V74 HydrophobicContact CG1-CG1 4.35Å; Y22-V74 HydrophobicContact CD1-CB 4.25Å; Y22-V74 HydrophobicContact CD1-CG1 3.85Å; Y22-V74 HydrophobicContact CE1-CB 4.31Å; Y22-V74 HydrophobicContact CE1-CG1 4.06Å; Y22-V74 HydrophobicContact CG-CG1 4.35Å; L30-V74 HydrophobicContact CB-CG1 4.32Å; L30-V74 HydrophobicContact CD1-CG1 3.72Å; G70-V74 WeakPolarHBondContact O-CG2 3.44Å; G70-V74 PolarHBondContact O-N 3.21Å; G70-V74 VanDerWaalsContact O-N 3.15Å; H71-V74 PolarHBondContact O-N 3.49Å; V72-V74 PolarHBondContact O-N 2.8Å; V74-A78 WeakPolarHBondContact O-CB 3.33Å; V74-A78 PolarHBondContact O-N 3.48Å |
| 75 | A | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -42.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y22 V60 H71 V72 R73 A78 M79 | Y22-A75 HydrophobicContact CE1-CB 4.15Å; Y22-A75 WeakPolarHBondContact OH-CB 3.43Å; V60-A75 HydrophobicContact CG2-CB 3.44Å; V60-A75 VanDerWaalsContact CG2-CB 3.44Å; H71-A75 WeakPolarHBondContact O-CB 3.36Å; H71-A75 PolarHBondContact O-N 2.9Å; V72-A75 WeakPolarHBondContact O-CB 3.49Å; V72-A75 PolarHBondContact O-N 3.46Å; V72-A75 VanDerWaalsContact O-N 3.13Å; R73-A75 VanDerWaalsContact C-N 3.33Å; R73-A75 PolarHBondContact O-N 3.36Å; A75-A78 PolarHBondContact O-N 3.33Å; A75-M79 WeakPolarHBondContact O-CG 3.45Å; A75-M79 PolarHBondContact O-N 2.89Å |
| 76 | V | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67 | -44 | 178.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | V72 R73 A78 M79 N80 M102 L106 L117 S121 | V72-V76 HydrophobicContact CG1-CG2 4.25Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.32Å; V72-V76 PolarHBondContact O-N 2.93Å; R73-V76 PolarHBondContact O-N 2.68Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 2.9Å; V76-M79 PolarHBondContact O-N 3.32Å; V76-N80 PolarHBondContact O-N 3.09Å; V76-N80 PolarHBondContact O-ND2 3.31Å; V76-M102 HydrophobicContact CB-SD 4.22Å; V76-M102 HydrophobicContact CG1-CE 4.41Å; V76-M102 HydrophobicContact CG1-SD 4.27Å; V76-M102 HydrophobicContact CG2-CG 4.37Å; V76-M102 HydrophobicContact CG2-SD 3.78Å; V76-L106 HydrophobicContact CG1-CD1 4.46Å; V76-L106 HydrophobicContact CG2-CD1 3.56Å; V76-L106 HydrophobicContact CG2-CD2 4.41Å; V76-L117 HydrophobicContact CB-CD2 4.02Å; V76-L117 HydrophobicContact CB-CG 4.36Å; V76-L117 HydrophobicContact CG1-CD1 4.02Å; V76-L117 HydrophobicContact CG1-CD2 4.07Å; V76-L117 HydrophobicContact CG1-CG 3.84Å; V76-L117 HydrophobicContact CG2-CD2 4Å; V76-S121 WeakPolarHBondContact CG1-OG 3.24Å |
| 77 | E | 93.9 | Very high | 91 | Very high | 79 Ų | 79 | 43.4 Ų | 43.4 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 175.5 | -169 | -176.2 | 165.8 | 0 | 0 | 111.3 | L30 R73 M79 N80 Q81 | L30-E77 HydrophobicContact CD2-CB 4.25Å; L30-E77 HydrophobicContact CD2-CG 3.83Å; R73-E77 WeakPolarHBondContact O-CB 3.49Å; R73-E77 PolarHBondContact O-N 3.01Å; E77-M79 PolarHBondContact O-N 3.47Å; E77-N80 PolarHBondContact O-N 3.41Å; E77-Q81 WeakPolarHBondContact O-CG 3.17Å; E77-Q81 PolarHBondContact O-N 3.21Å; E77-Q81 PolarHBondContact OE1-NE2 2.87Å |
| 78 | A | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I21 L30 M35 V74 A75 V76 Q81 L82 | I21-A78 HydrophobicContact CD1-CB 3.52Å; L30-A78 HydrophobicContact CD1-CB 4.03Å; M35-A78 HydrophobicContact CE-CB 4.13Å; M35-A78 WeakPolarHBondContact CE-O 3.18Å; M35-A78 HydrophobicContact SD-CB 3.63Å; V74-A78 WeakPolarHBondContact O-CB 3.33Å; V74-A78 PolarHBondContact O-N 3.48Å; A75-A78 PolarHBondContact O-N 3.33Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 2.9Å; A78-Q81 PolarHBondContact O-N 3.27Å; A78-L82 WeakPolarHBondContact O-CG 3.3Å; A78-L82 PolarHBondContact O-N 3.04Å |
| 79 | M | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 178.4 | -75.2 | -166.8 | 73.3 | 0 | 0 | 112.6 | L56 A75 V76 E77 L83 Y95 F99 M102 | L56-M79 HydrophobicContact CB-CG 3.72Å; L56-M79 HydrophobicContact CB-SD 3.55Å; L56-M79 VanDerWaalsContact CB-SD 3.55Å; L56-M79 HydrophobicContact CD1-CG 3.59Å; L56-M79 HydrophobicContact CG-CG 4.2Å; A75-M79 WeakPolarHBondContact O-CG 3.45Å; A75-M79 PolarHBondContact O-N 2.89Å; V76-M79 PolarHBondContact O-N 3.32Å; E77-M79 PolarHBondContact O-N 3.47Å; M79-L83 WeakPolarHBondContact O-CB 3.49Å; M79-L83 PolarHBondContact O-N 3.25Å; M79-Y95 WeakPolarHBondContact CA-OH 3.39Å; M79-Y95 WeakPolarHBondContact CB-OH 3.34Å; M79-Y95 HydrophobicContact CE-CE2 4.35Å; M79-Y95 PolarHBondContact O-OH 3.09Å; M79-F99 HydrophobicContact CB-CD2 4.09Å; M79-F99 HydrophobicContact CB-CE2 4.27Å; M79-F99 HydrophobicContact CE-CB 4.01Å; M79-F99 HydrophobicContact CE-CD2 4.14Å; M79-M102 HydrophobicContact CB-CE 4.26Å; M79-M102 HydrophobicContact CB-SD 3.89Å; M79-M102 HydrophobicContact CE-CB 4.45Å; M79-M102 HydrophobicContact CE-SD 4.33Å; M79-M102 HydrophobicContact CG-SD 4.08Å; M79-M102 HydrophobicContact SD-CB 4.1Å; M79-M102 HydrophobicContact SD-CE 4.35Å; M79-M102 HydrophobicContact SD-CG 4.16Å; M79-M102 HydrophobicContact SD-SD 3.37Å |
| 80 | N | 94.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 38 Ų | 38 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 173.8 | -77.3 | -33.7 | 0 | 0 | 0 | 111.7 | V76 E77 L82 L83 V84 F99 S121 | V76-N80 PolarHBondContact O-N 3.09Å; V76-N80 PolarHBondContact O-ND2 3.31Å; E77-N80 PolarHBondContact O-N 3.41Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-L82 PolarHBondContact O-N 3.08Å; N80-L83 WeakPolarHBondContact O-CB 3.42Å; N80-L83 PolarHBondContact O-N 3.42Å; N80-V84 WeakPolarHBondContact O-CG2 3.32Å; N80-V84 PolarHBondContact O-N 3.27Å; N80-V84 VanDerWaalsContact O-N 3.08Å; N80-F99 VanDerWaalsContact OD1-CE2 3.31Å; N80-F99 WeakPolarHBondContact OD1-CE2 3.27Å; N80-F99 VanDerWaalsContact OD1-CZ 3.24Å; N80-F99 WeakPolarHBondContact OD1-CZ 3.31Å; N80-S121 PolarHBondContact ND2-OG 2.82Å; N80-S121 VanDerWaalsContact OD1-CB 3.31Å; N80-S121 WeakPolarHBondContact OD1-CB 3.49Å; N80-S121 PolarHBondContact OD1-OG 2.69Å |
| 81 | Q | 94.1 | Very high | 89.5 | Confident | 77 Ų | 77 | 37.8 Ų | 37.8 | 36% | 0.36 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 178.2 | -72.3 | -173.4 | 28.5 | 0 | 0 | 112.3 | M35 E77 A78 A85 | M35-Q81 HydrophobicContact CE-CB 4.12Å; M35-Q81 VanDerWaalsContact CG-OE1 3.25Å; E77-Q81 WeakPolarHBondContact O-CG 3.17Å; E77-Q81 PolarHBondContact O-N 3.21Å; E77-Q81 PolarHBondContact OE1-NE2 2.87Å; A78-Q81 PolarHBondContact O-N 3.27Å; Q81-A85 WeakPolarHBondContact O-CB 3.47Å; Q81-A85 PolarHBondContact O-N 3.41Å |
| 82 | L | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 174.6 | -75.3 | 170.7 | 0 | 0 | 0 | 112.4 | M35 L38 A42 I52 L56 A78 N80 A85 C86 Y95 | M35-L82 HydrophobicContact CE-CD1 4.2Å; M35-L82 HydrophobicContact CE-CD2 3.96Å; M35-L82 HydrophobicContact CE-CG 3.6Å; L38-L82 HydrophobicContact CD2-CD1 4.16Å; L38-L82 HydrophobicContact CG-CD1 4.5Å; L38-L82 HydrophobicContact CG-CD2 4.45Å; A42-L82 HydrophobicContact CB-CD2 3.73Å; I52-L82 HydrophobicContact CG2-CD1 3.75Å; L56-L82 HydrophobicContact CD1-CD1 3.88Å; A78-L82 WeakPolarHBondContact O-CG 3.3Å; A78-L82 PolarHBondContact O-N 3.04Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-L82 PolarHBondContact O-N 3.08Å; L82-A85 PolarHBondContact O-N 3.4Å; L82-C86 VanDerWaalsContact O-CB 3.22Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.08Å; L82-C86 PolarHBondContact O-SG 3Å; L82-Y95 HydrophobicContact CB-CE2 4.37Å; L82-Y95 WeakPolarHBondContact CB-OH 3.13Å; L82-Y95 HydrophobicContact CD1-CE2 4.46Å |
| 83 | L | 91.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -49.5 | 177.3 | -174.3 | 71.5 | 0 | 0 | 0 | 110.8 | M79 N80 H87 L92 Y95 V96 F99 F125 I128 | M79-L83 WeakPolarHBondContact O-CB 3.49Å; M79-L83 PolarHBondContact O-N 3.25Å; N80-L83 WeakPolarHBondContact O-CB 3.42Å; N80-L83 PolarHBondContact O-N 3.42Å; L83-H87 PolarHBondContact O-N 2.79Å; L83-L92 HydrophobicContact CD1-CD1 4Å; L83-Y95 HydrophobicContact CB-CE1 3.99Å; L83-Y95 HydrophobicContact CD1-CD1 4.01Å; L83-Y95 HydrophobicContact CD1-CE1 3.88Å; L83-V96 HydrophobicContact CD1-CG2 4.02Å; L83-F99 HydrophobicContact CB-CD2 4.49Å; L83-F99 HydrophobicContact CB-CE2 4.32Å; L83-F99 HydrophobicContact CD2-CD1 4.44Å; L83-F99 HydrophobicContact CD2-CD2 4.3Å; L83-F99 HydrophobicContact CD2-CE1 4.03Å; L83-F99 HydrophobicContact CD2-CE2 3.88Å; L83-F99 HydrophobicContact CD2-CZ 3.73Å; L83-F125 HydrophobicContact CD1-CD2 4.44Å; L83-F125 HydrophobicContact CD2-CB 3.64Å; L83-F125 HydrophobicContact CD2-CD2 4.16Å; L83-F125 HydrophobicContact CD2-CG 4.39Å; L83-I128 HydrophobicContact CD2-CD1 3.74Å; L83-I128 HydrophobicContact CG-CD1 3.65Å |
| 84 | V | 90.4 | Very high | 88.6 | Confident | 83 Ų | 83 | 37.3 Ų | 37.3 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | N80 C86 H87 I128 | N80-V84 WeakPolarHBondContact O-CG2 3.32Å; N80-V84 PolarHBondContact O-N 3.27Å; N80-V84 VanDerWaalsContact O-N 3.08Å; V84-C86 VanDerWaalsContact C-N 3.35Å; V84-C86 PolarHBondContact O-N 3.17Å; V84-H87 PolarHBondContact O-ND1 2.95Å; V84-I128 HydrophobicContact CG2-CD1 4.27Å |
| 85 | A | 89.9 | Confident | 88.5 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.3 | -24.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T39 I43 Q81 L82 | T39-A85 HydrophobicContact CG2-CB 3.35Å; I43-A85 HydrophobicContact CD1-CB 4.34Å; Q81-A85 WeakPolarHBondContact O-CB 3.47Å; Q81-A85 PolarHBondContact O-N 3.41Å; L82-A85 PolarHBondContact O-N 3.4Å |
| 86 | C | 88 | Confident | 88.3 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 21.5 | -174.3 | -53 | 0 | 0 | 0 | 0 | 113.3 | L49 L82 V84 G88 S89 | L49-C86 HydrophobicContact CD1-CB 4.15Å; L49-C86 HydrophobicContact CD2-CB 3.75Å; L82-C86 VanDerWaalsContact O-CB 3.22Å; L82-C86 WeakPolarHBondContact O-CB 3.34Å; L82-C86 PolarHBondContact O-N 3.08Å; L82-C86 PolarHBondContact O-SG 3Å; V84-C86 VanDerWaalsContact C-N 3.35Å; V84-C86 PolarHBondContact O-N 3.17Å; C86-G88 VanDerWaalsContact C-N 3.28Å; C86-G88 PolarHBondContact O-N 3.22Å; C86-S89 VanDerWaalsContact O-CB 3.22Å; C86-S89 WeakPolarHBondContact O-CB 3.46Å; C86-S89 PolarHBondContact O-N 3.11Å |
| 87 | H | 81.3 | Confident | 88.1 | Confident | 105 Ų | 105 | 42.6 Ų | 42.6 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.9 | -175.6 | 64.2 | -87.1 | 0 | 0 | 0 | 114.1 | L83 V84 S89 L92 I128 | L83-H87 PolarHBondContact O-N 2.79Å; V84-H87 PolarHBondContact O-ND1 2.95Å; H87-S89 VanDerWaalsContact C-N 3.32Å; H87-S89 PolarHBondContact O-N 3.49Å; H87-L92 WeakPolarHBondContact O-CD2 3Å; H87-I128 HydrophobicContact CB-CG2 3.67Å |
| 88 | G | 79.8 | Confident | 88 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 8.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | C86 | C86-G88 VanDerWaalsContact C-N 3.28Å; C86-G88 PolarHBondContact O-N 3.22Å |
| 89 | S | 82 | Confident | 87.9 | Confident | 22 Ų | 22 | 39.6 Ų | 39.6 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | trans | -79.8 | 137.1 | -175.1 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | P46 C86 H87 S91 L92 | P46-S89 WeakPolarHBondContact CB-OG 3.36Å; C86-S89 VanDerWaalsContact O-CB 3.22Å; C86-S89 WeakPolarHBondContact O-CB 3.46Å; C86-S89 PolarHBondContact O-N 3.11Å; H87-S89 VanDerWaalsContact C-N 3.32Å; H87-S89 PolarHBondContact O-N 3.49Å; S89-S91 PolarHBondContact O-N 3.46Å; S89-S91 VanDerWaalsContact O-N 3.11Å; S89-S91 PolarHBondContact OG-N 3.19Å; S89-S91 PolarHBondContact OG-OG 3.48Å; S89-L92 WeakPolarHBondContact O-CB 3.4Å; S89-L92 PolarHBondContact O-N 2.9Å | ||
| 90 | P | 76.9 | Confident | 87.9 | Confident | 123 Ų | 123 | 40.5 Ų | 40.5 | 80% | 0.799 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23 | 175.6 | 25.4 | -35 | 0 | 0 | 0 | 113.3 | P46 L92 | P46-P90 HydrophobicContact CB-CG 4.48Å; P90-L92 VanDerWaalsContact C-N 3.33Å |
| 91 | S | 80.3 | Confident | 87.8 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 8.1 | 178.7 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | P46 S89 N93 L94 Y95 | P46-S91 VanDerWaalsContact O-CB 3.3Å; P46-S91 WeakPolarHBondContact O-CB 3.36Å; P46-S91 PolarHBondContact O-OG 3.01Å; S89-S91 PolarHBondContact O-N 3.46Å; S89-S91 VanDerWaalsContact O-N 3.11Å; S89-S91 PolarHBondContact OG-N 3.19Å; S89-S91 PolarHBondContact OG-OG 3.48Å; S91-N93 VanDerWaalsContact C-N 3.3Å; S91-N93 PolarHBondContact O-N 3.22Å; S91-L94 PolarHBondContact O-N 3.39Å; S91-Y95 PolarHBondContact O-N 3.34Å |
| 92 | L | 84.8 | Confident | 87.8 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | -174.3 | -179.7 | 67.7 | 0 | 0 | 0 | 112.1 | L83 H87 S89 P90 L94 Y95 V96 | L83-L92 HydrophobicContact CD1-CD1 4Å; H87-L92 WeakPolarHBondContact O-CD2 3Å; S89-L92 WeakPolarHBondContact O-CB 3.4Å; S89-L92 PolarHBondContact O-N 2.9Å; P90-L92 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 2.79Å; L92-Y95 HydrophobicContact CD1-CD1 4.33Å; L92-Y95 CarbonylContact O-C 3.59Å; L92-Y95 WeakPolarHBondContact O-CA 3.44Å; L92-Y95 WeakPolarHBondContact O-CB 3.43Å; L92-Y95 PolarHBondContact O-N 3.25Å; L92-Y95 VanDerWaalsContact O-N 3.08Å; L92-V96 HydrophobicContact CD1-CG2 4.01Å; L92-V96 HydrophobicContact CG-CG2 3.88Å; L92-V96 VanDerWaalsContact O-CG2 3.32Å; L92-V96 WeakPolarHBondContact O-CG2 3.27Å; L92-V96 PolarHBondContact O-N 2.97Å |
| 93 | N | 84.2 | Confident | 87.9 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | -175.8 | -77.2 | -31.2 | 0 | 0 | 0 | 113.7 | S91 V96 E97 R137 | S91-N93 VanDerWaalsContact C-N 3.3Å; S91-N93 PolarHBondContact O-N 3.22Å; N93-V96 PolarHBondContact O-N 2.95Å; N93-E97 PolarHBondContact O-N 2.95Å; N93-E97 VanDerWaalsContact O-N 3.09Å; N93-R137 PolarHBondContact OD1-NH2 3.35Å |
| 94 | L | 85.4 | Confident | 88 | Confident | 89 Ų | 89 | 41 Ų | 41 | 47% | 0.466 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69 | -37.7 | 176.3 | -63.9 | 174.9 | 0 | 0 | 0 | 111.9 | D50 S91 L92 V96 E97 S98 | D50-L94 HydrophobicContact CB-CB 3.74Å; D50-L94 HydrophobicContact CB-CD1 4.2Å; S91-L94 PolarHBondContact O-N 3.39Å; L92-L94 PolarHBondContact O-N 2.79Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-E97 WeakPolarHBondContact O-CB 3.44Å; L94-E97 PolarHBondContact O-N 2.91Å; L94-S98 PolarHBondContact O-N 3.43Å |
| 95 | Y | 90.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 173.4 | 179.9 | -96.2 | 0 | 0 | 0 | 111.9 | L49 M79 L82 L83 S91 L92 E97 S98 F99 | L49-Y95 HydrophobicContact CD1-CD2 3.78Å; L49-Y95 HydrophobicContact CD1-CE2 4.08Å; L49-Y95 HydrophobicContact CD1-CG 4.19Å; L49-Y95 HydrophobicContact CD2-CD2 4.44Å; L49-Y95 HydrophobicContact CD2-CG 4.07Å; L49-Y95 HydrophobicContact CG-CD2 3.68Å; L49-Y95 HydrophobicContact CG-CE2 4.47Å; L49-Y95 HydrophobicContact CG-CG 3.81Å; L49-Y95 WeakPolarHBondContact O-CD2 3.25Å; M79-Y95 WeakPolarHBondContact CA-OH 3.39Å; M79-Y95 WeakPolarHBondContact CB-OH 3.34Å; M79-Y95 HydrophobicContact CE-CE2 4.35Å; M79-Y95 PolarHBondContact O-OH 3.09Å; L82-Y95 HydrophobicContact CB-CE2 4.37Å; L82-Y95 WeakPolarHBondContact CB-OH 3.13Å; L82-Y95 HydrophobicContact CD1-CE2 4.46Å; L83-Y95 HydrophobicContact CB-CE1 3.99Å; L83-Y95 HydrophobicContact CD1-CD1 4.01Å; L83-Y95 HydrophobicContact CD1-CE1 3.88Å; S91-Y95 PolarHBondContact O-N 3.34Å; L92-Y95 HydrophobicContact CD1-CD1 4.33Å; L92-Y95 CarbonylContact O-C 3.59Å; L92-Y95 WeakPolarHBondContact O-CA 3.44Å; L92-Y95 WeakPolarHBondContact O-CB 3.43Å; L92-Y95 PolarHBondContact O-N 3.25Å; L92-Y95 VanDerWaalsContact O-N 3.08Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 3.39Å; Y95-S98 WeakPolarHBondContact O-CB 3.3Å; Y95-S98 PolarHBondContact O-N 3.28Å; Y95-F99 HydrophobicContact CE1-CB 4.43Å; Y95-F99 HydrophobicContact CE1-CD2 4.33Å; Y95-F99 WeakPolarHBondContact O-CB 3.39Å; Y95-F99 PolarHBondContact O-N 3.12Å |
| 96 | V | 89.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111 | L83 L92 N93 L94 S98 F99 L100 F125 | L83-V96 HydrophobicContact CD1-CG2 4.02Å; L92-V96 HydrophobicContact CD1-CG2 4.01Å; L92-V96 HydrophobicContact CG-CG2 3.88Å; L92-V96 VanDerWaalsContact O-CG2 3.32Å; L92-V96 WeakPolarHBondContact O-CG2 3.27Å; L92-V96 PolarHBondContact O-N 2.97Å; N93-V96 PolarHBondContact O-N 2.95Å; L94-V96 VanDerWaalsContact C-N 3.33Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 2.95Å; V96-F99 CarbonylContact O-C 3.42Å; V96-F99 WeakPolarHBondContact O-CB 3.03Å; V96-F99 PolarHBondContact O-N 3.25Å; V96-F99 VanDerWaalsContact O-N 3.15Å; V96-L100 HydrophobicContact CG1-CD1 3.93Å; V96-L100 HydrophobicContact CG1-CG 4.04Å; V96-L100 WeakPolarHBondContact O-CB 3.24Å; V96-L100 WeakPolarHBondContact O-CG 3.28Å; V96-L100 PolarHBondContact O-N 2.97Å; V96-F125 HydrophobicContact CB-CE2 4.36Å; V96-F125 HydrophobicContact CG1-CD2 4.23Å; V96-F125 HydrophobicContact CG1-CE2 3.43Å; V96-F125 VanDerWaalsContact CG1-CE2 3.43Å; V96-F125 HydrophobicContact CG1-CZ 3.74Å; V96-F125 HydrophobicContact CG2-CD2 4.35Å; V96-F125 HydrophobicContact CG2-CE2 3.91Å |
| 97 | E | 89.4 | Confident | 88.7 | Confident | 112 Ų | 112 | 39.4 Ų | 39.4 | 52% | 0.523 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -46.1 | 173.6 | -171.8 | -176.4 | 173.8 | 0 | 0 | 111.6 | N93 L94 Y95 F99 L100 T101 | N93-E97 PolarHBondContact O-N 2.95Å; N93-E97 VanDerWaalsContact O-N 3.09Å; L94-E97 WeakPolarHBondContact O-CB 3.44Å; L94-E97 PolarHBondContact O-N 2.91Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 3.39Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 3.01Å; E97-L100 PolarHBondContact O-N 3.32Å; E97-T101 WeakPolarHBondContact O-CB 3.45Å; E97-T101 PolarHBondContact O-N 3.19Å; E97-T101 PolarHBondContact O-OG1 3.1Å |
| 98 | S | 91.9 | Very high | 89.3 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -37.5 | 174.5 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | G53 G54 S57 L94 Y95 V96 M102 | G53-S98 VanDerWaalsContact C-CB 3.42Å; G54-S98 WeakPolarHBondContact CA-OG 3.29Å; G54-S98 PolarHBondContact N-OG 2.9Å; S57-S98 VanDerWaalsContact CB-O 3.32Å; S57-S98 WeakPolarHBondContact CB-O 3.31Å; S57-S98 PolarHBondContact OG-O 3.31Å; S57-S98 VanDerWaalsContact OG-O 3.09Å; L94-S98 PolarHBondContact O-N 3.43Å; Y95-S98 WeakPolarHBondContact O-CB 3.3Å; Y95-S98 PolarHBondContact O-N 3.28Å; V96-S98 VanDerWaalsContact C-N 3.34Å; V96-S98 PolarHBondContact O-N 2.95Å; S98-M102 PolarHBondContact O-N 2.82Å; S98-M102 VanDerWaalsContact O-N 3.08Å |
| 99 | F | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -47.9 | 176.8 | -176.2 | -87 | 0 | 0 | 0 | 112 | M79 N80 L83 Y95 V96 E97 T101 M102 V103 S121 F125 | M79-F99 HydrophobicContact CB-CD2 4.09Å; M79-F99 HydrophobicContact CB-CE2 4.27Å; M79-F99 HydrophobicContact CE-CB 4.01Å; M79-F99 HydrophobicContact CE-CD2 4.14Å; N80-F99 VanDerWaalsContact OD1-CE2 3.31Å; N80-F99 WeakPolarHBondContact OD1-CE2 3.27Å; N80-F99 VanDerWaalsContact OD1-CZ 3.24Å; N80-F99 WeakPolarHBondContact OD1-CZ 3.31Å; L83-F99 HydrophobicContact CB-CD2 4.49Å; L83-F99 HydrophobicContact CB-CE2 4.32Å; L83-F99 HydrophobicContact CD2-CD1 4.44Å; L83-F99 HydrophobicContact CD2-CD2 4.3Å; L83-F99 HydrophobicContact CD2-CE1 4.03Å; L83-F99 HydrophobicContact CD2-CE2 3.88Å; L83-F99 HydrophobicContact CD2-CZ 3.73Å; Y95-F99 HydrophobicContact CE1-CB 4.43Å; Y95-F99 HydrophobicContact CE1-CD2 4.33Å; Y95-F99 WeakPolarHBondContact O-CB 3.39Å; Y95-F99 PolarHBondContact O-N 3.12Å; V96-F99 CarbonylContact O-C 3.42Å; V96-F99 WeakPolarHBondContact O-CB 3.03Å; V96-F99 PolarHBondContact O-N 3.25Å; V96-F99 VanDerWaalsContact O-N 3.15Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 3.01Å; F99-T101 VanDerWaalsContact C-N 3.3Å; F99-T101 PolarHBondContact O-N 3.42Å; F99-M102 HydrophobicContact CD1-CE 4.46Å; F99-M102 HydrophobicContact CD2-CE 3.71Å; F99-M102 HydrophobicContact CE1-CE 4.39Å; F99-M102 HydrophobicContact CE2-CE 3.62Å; F99-M102 HydrophobicContact CG-CE 4.14Å; F99-M102 HydrophobicContact CZ-CE 3.98Å; F99-M102 WeakPolarHBondContact O-CA 3.5Å; F99-M102 VanDerWaalsContact O-CB 3.3Å; F99-M102 WeakPolarHBondContact O-CB 3.23Å; F99-M102 PolarHBondContact O-N 3.11Å; F99-M102 VanDerWaalsContact O-N 3.08Å; F99-V103 HydrophobicContact CD1-CG2 4.06Å; F99-V103 HydrophobicContact CE1-CG2 3.76Å; F99-V103 HydrophobicContact CZ-CG2 4.39Å; F99-V103 WeakPolarHBondContact O-CG2 3.34Å; F99-V103 PolarHBondContact O-N 3.34Å; F99-S121 WeakPolarHBondContact CZ-O 3.49Å; F99-F125 HydrophobicContact CD1-CB 4.35Å; F99-F125 HydrophobicContact CE1-CB 3.67Å; F99-F125 HydrophobicContact CE1-CG 4.3Å; F99-F125 HydrophobicContact CZ-CB 4.31Å |
| 100 | L | 93.3 | Very high | 90 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -36.2 | 176.2 | -68.6 | 178.8 | 0 | 0 | 0 | 111.2 | V96 E97 M102 V103 H104 F122 F125 F142 | V96-L100 HydrophobicContact CG1-CD1 3.93Å; V96-L100 HydrophobicContact CG1-CG 4.04Å; V96-L100 WeakPolarHBondContact O-CB 3.24Å; V96-L100 WeakPolarHBondContact O-CG 3.28Å; V96-L100 PolarHBondContact O-N 2.97Å; E97-L100 PolarHBondContact O-N 3.32Å; L100-M102 VanDerWaalsContact C-N 3.29Å; L100-M102 PolarHBondContact O-N 2.91Å; L100-V103 PolarHBondContact O-N 2.97Å; L100-H104 VanDerWaalsContact O-CB 3.31Å; L100-H104 WeakPolarHBondContact O-CB 3.41Å; L100-H104 PolarHBondContact O-N 2.84Å; L100-F122 HydrophobicContact CD2-CD2 3.95Å; L100-F122 HydrophobicContact CD2-CE2 3.88Å; L100-F125 HydrophobicContact CD2-CD1 4.09Å; L100-F125 HydrophobicContact CD2-CE1 3.97Å; L100-F142 HydrophobicContact CB-CE2 4.29Å; L100-F142 HydrophobicContact CB-CZ 4.05Å; L100-F142 HydrophobicContact CD2-CE2 4.05Å; L100-F142 HydrophobicContact CD2-CZ 3.89Å; L100-F142 HydrophobicContact CG-CZ 4.49Å |
| 101 | T | 93.3 | Very high | 90.7 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 34% | 0.344 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61 | -38.5 | 172 | -58.7 | 0 | 0 | 0 | 0 | 112 | E97 F99 R105 | E97-T101 WeakPolarHBondContact O-CB 3.45Å; E97-T101 PolarHBondContact O-N 3.19Å; E97-T101 PolarHBondContact O-OG1 3.1Å; F99-T101 VanDerWaalsContact C-N 3.3Å; F99-T101 PolarHBondContact O-N 3.42Å; T101-R105 VanDerWaalsContact O-CG 3.31Å; T101-R105 WeakPolarHBondContact O-CG 3.36Å; T101-R105 PolarHBondContact O-N 3.27Å; T101-R105 VanDerWaalsContact O-N 3.15Å |
| 102 | M | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -51.3 | 173 | 168.5 | -156.1 | 66.3 | 0 | 0 | 110.4 | V60 V76 M79 S98 F99 L100 H104 R105 L106 | V60-M102 HydrophobicContact CB-CG 4.33Å; V60-M102 HydrophobicContact CG1-CG 4.05Å; V60-M102 HydrophobicContact CG2-CG 4.07Å; V60-M102 HydrophobicContact CG2-SD 4.47Å; V76-M102 HydrophobicContact CB-SD 4.22Å; V76-M102 HydrophobicContact CG1-CE 4.41Å; V76-M102 HydrophobicContact CG1-SD 4.27Å; V76-M102 HydrophobicContact CG2-CG 4.37Å; V76-M102 HydrophobicContact CG2-SD 3.78Å; M79-M102 HydrophobicContact CB-CE 4.26Å; M79-M102 HydrophobicContact CB-SD 3.89Å; M79-M102 HydrophobicContact CE-CB 4.45Å; M79-M102 HydrophobicContact CE-SD 4.33Å; M79-M102 HydrophobicContact CG-SD 4.08Å; M79-M102 HydrophobicContact SD-CB 4.1Å; M79-M102 HydrophobicContact SD-CE 4.35Å; M79-M102 HydrophobicContact SD-CG 4.16Å; M79-M102 HydrophobicContact SD-SD 3.37Å; S98-M102 PolarHBondContact O-N 2.82Å; S98-M102 VanDerWaalsContact O-N 3.08Å; F99-M102 HydrophobicContact CD1-CE 4.46Å; F99-M102 HydrophobicContact CD2-CE 3.71Å; F99-M102 HydrophobicContact CE1-CE 4.39Å; F99-M102 HydrophobicContact CE2-CE 3.62Å; F99-M102 HydrophobicContact CG-CE 4.14Å; F99-M102 HydrophobicContact CZ-CE 3.98Å; F99-M102 WeakPolarHBondContact O-CA 3.5Å; F99-M102 VanDerWaalsContact O-CB 3.3Å; F99-M102 WeakPolarHBondContact O-CB 3.23Å; F99-M102 PolarHBondContact O-N 3.11Å; F99-M102 VanDerWaalsContact O-N 3.08Å; L100-M102 VanDerWaalsContact C-N 3.29Å; L100-M102 PolarHBondContact O-N 2.91Å; M102-H104 VanDerWaalsContact C-N 3.3Å; M102-H104 PolarHBondContact O-N 2.9Å; M102-R105 PolarHBondContact O-N 2.89Å; M102-L106 HydrophobicContact CG-CD1 4.17Å; M102-L106 WeakPolarHBondContact O-CG 3.37Å; M102-L106 PolarHBondContact O-N 3.24Å; M102-L106 VanDerWaalsContact O-N 3.1Å |
| 103 | V | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 179.3 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | F99 L100 R105 L106 L107 A118 F122 F142 | F99-V103 HydrophobicContact CD1-CG2 4.06Å; F99-V103 HydrophobicContact CE1-CG2 3.76Å; F99-V103 HydrophobicContact CZ-CG2 4.39Å; F99-V103 WeakPolarHBondContact O-CG2 3.34Å; F99-V103 PolarHBondContact O-N 3.34Å; L100-V103 PolarHBondContact O-N 2.97Å; V103-R105 PolarHBondContact O-N 3.17Å; V103-L106 PolarHBondContact O-N 3.31Å; V103-L107 HydrophobicContact CG1-CD1 3.97Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 3.4Å; V103-A118 HydrophobicContact CG1-CB 4.12Å; V103-F122 HydrophobicContact CG1-CB 4.03Å; V103-F122 HydrophobicContact CG1-CD2 4.34Å; V103-F142 HydrophobicContact CB-CE1 4.15Å; V103-F142 HydrophobicContact CG1-CD1 4.48Å; V103-F142 HydrophobicContact CG1-CE1 3.66Å; V103-F142 HydrophobicContact CG1-CZ 4.47Å |
| 104 | H | 94.2 | Very high | 91.9 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -52 | -53.8 | 176 | -174.6 | 133.8 | 0 | 0 | 0 | 111 | L100 M102 L106 L107 E108 F141 | L100-H104 VanDerWaalsContact O-CB 3.31Å; L100-H104 WeakPolarHBondContact O-CB 3.41Å; L100-H104 PolarHBondContact O-N 2.84Å; M102-H104 VanDerWaalsContact C-N 3.3Å; M102-H104 PolarHBondContact O-N 2.9Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.05Å; H104-L107 PolarHBondContact O-N 2.86Å; H104-E108 IonicContact CD2-OE1 3.75Å; H104-E108 PolarHBondContact CD2-OE1 2.65Å; H104-E108 IonicContact CD2-OE2 3.76Å; H104-E108 VanDerWaalsContact NE2-CD 3.28Å; H104-E108 IonicContact NE2-OE1 3.92Å; H104-E108 PolarHBondContact NE2-OE1 2.9Å; H104-E108 IonicContact NE2-OE2 2.62Å; H104-E108 PolarHBondContact O-N 3.38Å; H104-E108 VanDerWaalsContact O-N 3.12Å; H104-F141 HydrophobicContact CB-CD1 4.4Å; H104-F141 HydrophobicContact CB-CE1 4Å; H104-F141 AromaticContact CD2-CE1 3.82Å; H104-F141 AromaticContact CD2-CE2 3.85Å; H104-F141 AromaticContact CD2-CZ 3.51Å; H104-F141 AromaticContact CE1-CD1 3.77Å; H104-F141 AromaticContact CE1-CD2 3.37Å; H104-F141 WeakPolarHBondContact CE1-CD2 3.37Å; H104-F141 AromaticContact CE1-CE1 3.94Å; H104-F141 AromaticContact CE1-CE2 3.53Å; H104-F141 AromaticContact CE1-CG 3.5Å; H104-F141 VanDerWaalsContact CE1-CG 3.5Å; H104-F141 WeakPolarHBondContact CE1-CG 3.47Å; H104-F141 AromaticContact CE1-CZ 3.81Å; H104-F141 AromaticContact CG-CD1 3.85Å; H104-F141 AromaticContact CG-CE1 3.55Å; H104-F141 AromaticContact CG-CZ 3.76Å; H104-F141 AromaticContact ND1-CD1 3.47Å; H104-F141 WeakPolarHBondContact ND1-CD1 3.43Å; H104-F141 AromaticContact ND1-CD2 3.96Å; H104-F141 AromaticContact ND1-CE1 3.67Å; H104-F141 AromaticContact ND1-CG 3.63Å; H104-F141 AromaticContact ND1-CZ 3.98Å; H104-F141 AromaticContact NE2-CD2 3.7Å; H104-F141 AromaticContact NE2-CE2 3.34Å; H104-F141 VanDerWaalsContact NE2-CE2 3.34Å; H104-F141 WeakPolarHBondContact NE2-CE2 3.41Å; H104-F141 AromaticContact NE2-CZ 3.53Å |
| 105 | R | 93.1 | Very high | 92.4 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -37 | -178.8 | -73.7 | 172.7 | 176.8 | -156.2 | -8.9 | 113.1 | S57 T101 M102 V103 E108 T109 | S57-R105 PolarHBondContact O-NH1 3.05Å; T101-R105 VanDerWaalsContact O-CG 3.31Å; T101-R105 WeakPolarHBondContact O-CG 3.36Å; T101-R105 PolarHBondContact O-N 3.27Å; T101-R105 VanDerWaalsContact O-N 3.15Å; M102-R105 PolarHBondContact O-N 2.89Å; V103-R105 PolarHBondContact O-N 3.17Å; R105-E108 PolarHBondContact O-N 3.12Å; R105-T109 WeakPolarHBondContact O-CG2 3.13Å |
| 106 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -41.7 | 177.8 | -65.2 | 172.4 | 0 | 0 | 0 | 111.5 | V60 V64 V72 V76 M102 V103 H104 E108 T109 M114 A118 | V60-L106 HydrophobicContact CG1-CD2 4.02Å; V60-L106 HydrophobicContact CG1-CG 4.44Å; V64-L106 HydrophobicContact CG2-CD2 4.17Å; V72-L106 HydrophobicContact CG1-CD2 3.48Å; V72-L106 VanDerWaalsContact CG1-CD2 3.48Å; V76-L106 HydrophobicContact CG1-CD1 4.46Å; V76-L106 HydrophobicContact CG2-CD1 3.56Å; V76-L106 HydrophobicContact CG2-CD2 4.41Å; M102-L106 HydrophobicContact CG-CD1 4.17Å; M102-L106 WeakPolarHBondContact O-CG 3.37Å; M102-L106 PolarHBondContact O-N 3.24Å; M102-L106 VanDerWaalsContact O-N 3.1Å; V103-L106 PolarHBondContact O-N 3.31Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.05Å; L106-E108 VanDerWaalsContact C-N 3.25Å; L106-E108 PolarHBondContact O-N 3.25Å; L106-T109 WeakPolarHBondContact O-CB 3.49Å; L106-T109 WeakPolarHBondContact O-CG2 3.3Å; L106-T109 PolarHBondContact O-N 2.79Å; L106-T109 PolarHBondContact O-OG1 2.95Å; L106-M114 HydrophobicContact CD2-SD 4.3Å; L106-A118 HydrophobicContact CB-CB 3.54Å; L106-A118 HydrophobicContact CD1-CB 4.11Å |
| 107 | L | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -26.3 | 177.2 | -71.5 | 171.9 | 0 | 0 | 0 | 113 | V103 H104 T109 E115 A118 F141 F142 K145 F146 L149 | V103-L107 HydrophobicContact CG1-CD1 3.97Å; V103-L107 HydrophobicContact CG1-CG 4.4Å; V103-L107 WeakPolarHBondContact O-CG 3.42Å; V103-L107 PolarHBondContact O-N 3.4Å; H104-L107 PolarHBondContact O-N 2.86Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.43Å; L107-E115 HydrophobicContact CD2-CB 4.46Å; L107-A118 HydrophobicContact CD2-CB 3.77Å; L107-A118 HydrophobicContact CG-CB 3.7Å; L107-F141 HydrophobicContact CB-CE1 4.35Å; L107-F141 HydrophobicContact CB-CZ 4.32Å; L107-F141 HydrophobicContact CD1-CE1 4.11Å; L107-F142 HydrophobicContact CD1-CD1 3.94Å; L107-F142 HydrophobicContact CD1-CE1 4.07Å; L107-K145 HydrophobicContact CB-CD 4.48Å; L107-K145 HydrophobicContact CB-CG 3.89Å; L107-K145 HydrophobicContact CD1-CG 4.11Å; L107-K145 HydrophobicContact CD2-CG 4.34Å; L107-K145 HydrophobicContact CG-CG 4.34Å; L107-K145 WeakPolarHBondContact O-CE 3.14Å; L107-K145 PolarHBondContact O-NZ 3.45Å; L107-F146 HydrophobicContact CD1-CE1 3.97Å; L107-F146 HydrophobicContact CD1-CZ 4.13Å; L107-F146 HydrophobicContact CD2-CE1 4.15Å; L107-L149 HydrophobicContact CD2-CD1 4.24Å |
| 108 | E | 92.7 | Very high | 93.1 | Very high | 108 Ų | 108 | 43.1 Ų | 43.1 | 51% | 0.505 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -74.1 | -18 | 176.1 | -74.4 | -178.7 | 153 | 0 | 0 | 113.8 | H104 R105 L106 R110 F141 | H104-E108 IonicContact CD2-OE1 3.75Å; H104-E108 PolarHBondContact CD2-OE1 2.65Å; H104-E108 IonicContact CD2-OE2 3.76Å; H104-E108 VanDerWaalsContact NE2-CD 3.28Å; H104-E108 IonicContact NE2-OE1 3.92Å; H104-E108 PolarHBondContact NE2-OE1 2.9Å; H104-E108 IonicContact NE2-OE2 2.62Å; H104-E108 PolarHBondContact O-N 3.38Å; H104-E108 VanDerWaalsContact O-N 3.12Å; R105-E108 PolarHBondContact O-N 3.12Å; L106-E108 VanDerWaalsContact C-N 3.25Å; L106-E108 PolarHBondContact O-N 3.25Å; E108-R110 PolarHBondContact O-N 3.18Å; E108-F141 HydrophobicContact CG-CE2 4.21Å; E108-F141 HydrophobicContact CG-CZ 4.02Å |
| 109 | T | 90.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -22.2 | -176.4 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | V64 R105 L106 L107 L111 M114 | V64-T109 HydrophobicContact CG1-CG2 3.51Å; V64-T109 HydrophobicContact CG2-CG2 4.48Å; R105-T109 WeakPolarHBondContact O-CG2 3.13Å; L106-T109 WeakPolarHBondContact O-CB 3.49Å; L106-T109 WeakPolarHBondContact O-CG2 3.3Å; L106-T109 PolarHBondContact O-N 2.79Å; L106-T109 PolarHBondContact O-OG1 2.95Å; L107-T109 VanDerWaalsContact C-N 3.3Å; L107-T109 PolarHBondContact O-N 3.43Å; T109-L111 PolarHBondContact O-N 3.24Å; T109-L111 VanDerWaalsContact O-N 3.11Å; T109-L111 PolarHBondContact OG1-N 3.02Å; T109-M114 WeakPolarHBondContact OG1-CB 3.48Å |
| 110 | R | 86.7 | Confident | 93.4 | Very high | 203 Ų | 203 | 45.5 Ų | 45.5 | 77% | 0.766 | 23% | 0.225 | S | C | * | . | trans | 56.8 | 18.2 | -174.3 | -53.3 | 178.7 | -174.4 | 175.3 | -0.7 | 114.2 | E108 | E108-R110 PolarHBondContact O-N 3.18Š| ||
| 111 | L | 90.8 | Very high | 93.5 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | trans | -92.6 | 124.8 | 173.6 | -65.6 | 176.4 | 0 | 0 | 0 | 108.6 | T109 D113 M114 E115 | T109-L111 PolarHBondContact O-N 3.24Å; T109-L111 VanDerWaalsContact O-N 3.11Å; T109-L111 PolarHBondContact OG1-N 3.02Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-D113 PolarHBondContact O-N 3.09Å; L111-M114 HydrophobicContact CB-CB 4.12Å; L111-M114 HydrophobicContact CB-CG 3.9Å; L111-M114 HydrophobicContact CD1-CG 4.14Å; L111-M114 PolarHBondContact O-N 3.11Å; L111-E115 PolarHBondContact O-N 3.35Å | ||
| 112 | P | 91.5 | Very high | 93.6 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 32% | 0.318 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -52.5 | -47.8 | -174.6 | -29.8 | 35 | 0 | 0 | 0 | 113.6 | M114 E115 L116 V159 L163 | P112-M114 VanDerWaalsContact C-N 3.27Å; P112-M114 PolarHBondContact O-N 3.36Å; P112-E115 PolarHBondContact O-N 2.84Å; P112-L116 WeakPolarHBondContact O-CB 3.47Å; P112-L116 VanDerWaalsContact O-CG 3.24Å; P112-L116 WeakPolarHBondContact O-CG 3.17Å; P112-L116 PolarHBondContact O-N 3Å; P112-V159 HydrophobicContact CB-CG1 4.21Å; P112-V159 HydrophobicContact CG-CG1 4.19Å; P112-L163 HydrophobicContact CB-CD1 4.22Å; P112-L163 HydrophobicContact CB-CD2 4.16Å; P112-L163 HydrophobicContact CG-CD1 4.29Å |
| 113 | D | 91.4 | Very high | 93.6 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58 | -37.5 | 177.9 | -78.4 | 7.5 | 0 | 0 | 0 | 113.3 | R73 L111 L117 | R73-D113 IonicContact NH2-OD2 3.8Å; R73-D113 PolarHBondContact NH2-OD2 2.95Å; L111-D113 VanDerWaalsContact C-N 3.34Å; L111-D113 PolarHBondContact O-N 3.09Å; D113-L117 VanDerWaalsContact O-CB 3.25Å; D113-L117 WeakPolarHBondContact O-CB 3.45Å; D113-L117 PolarHBondContact O-N 2.83Å; D113-L117 VanDerWaalsContact O-N 3.11Å |
| 114 | M | 93 | Very high | 93.4 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.5 | -39.2 | -179.8 | -63.6 | -59.8 | 98.6 | 0 | 0 | 111.1 | I69 V72 L106 T109 L111 P112 L117 A118 | I69-M114 HydrophobicContact CG2-CE 3.5Å; I69-M114 HydrophobicContact CG2-SD 4.43Å; V72-M114 HydrophobicContact CG1-SD 4Å; L106-M114 HydrophobicContact CD2-SD 4.3Å; T109-M114 WeakPolarHBondContact OG1-CB 3.48Å; L111-M114 HydrophobicContact CB-CB 4.12Å; L111-M114 HydrophobicContact CB-CG 3.9Å; L111-M114 HydrophobicContact CD1-CG 4.14Å; L111-M114 PolarHBondContact O-N 3.11Å; P112-M114 VanDerWaalsContact C-N 3.27Å; P112-M114 PolarHBondContact O-N 3.36Å; M114-L117 PolarHBondContact O-N 2.84Å; M114-A118 VanDerWaalsContact O-CB 3.29Å; M114-A118 WeakPolarHBondContact O-CB 3.13Å; M114-A118 PolarHBondContact O-N 2.99Å |
| 115 | E | 94.5 | Very high | 93.3 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.7 | -68.2 | -178.4 | 142.3 | 0 | 0 | 111.6 | L107 L111 P112 A118 T119 K145 L149 L163 | L107-E115 HydrophobicContact CD2-CB 4.46Å; L111-E115 PolarHBondContact O-N 3.35Å; P112-E115 PolarHBondContact O-N 2.84Å; E115-A118 PolarHBondContact O-N 3.19Å; E115-T119 WeakPolarHBondContact O-CB 3.19Å; E115-T119 PolarHBondContact O-N 3.41Å; E115-T119 PolarHBondContact O-OG1 2.89Å; E115-K145 VanDerWaalsContact OE1-CE 3.31Å; E115-K145 WeakPolarHBondContact OE1-CE 3.41Å; E115-K145 IonicContact OE1-NZ 3.83Å; E115-K145 PolarHBondContact OE1-NZ 3.44Å; E115-L149 HydrophobicContact CB-CD2 4.5Å; E115-L163 HydrophobicContact CB-CD2 4.26Å |
| 116 | L | 94.9 | Very high | 93.1 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 29% | 0.288 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 173.4 | -68.4 | 177.5 | 0 | 0 | 0 | 111.5 | P112 T119 S120 K162 L163 A166 | P112-L116 WeakPolarHBondContact O-CB 3.47Å; P112-L116 VanDerWaalsContact O-CG 3.24Å; P112-L116 WeakPolarHBondContact O-CG 3.17Å; P112-L116 PolarHBondContact O-N 3Å; L116-T119 PolarHBondContact O-N 3.41Å; L116-S120 WeakPolarHBondContact O-CB 3.25Å; L116-S120 PolarHBondContact O-N 2.93Å; L116-K162 HydrophobicContact CD1-CB 4.46Å; L116-K162 HydrophobicContact CD2-CB 4.27Å; L116-L163 HydrophobicContact CD2-CD2 4.15Å; L116-L163 HydrophobicContact CG-CD2 4.2Å; L116-A166 HydrophobicContact CD2-CB 3.64Å |
| 117 | L | 94.2 | Very high | 92.8 | Very high | 44 Ų | 44 | 43.9 Ų | 43.9 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.8 | -177.4 | 65.5 | 0 | 0 | 0 | 112 | R73 V76 D113 M114 S121 | R73-L117 HydrophobicContact CG-CD2 4.11Å; V76-L117 HydrophobicContact CB-CD2 4.02Å; V76-L117 HydrophobicContact CB-CG 4.36Å; V76-L117 HydrophobicContact CG1-CD1 4.02Å; V76-L117 HydrophobicContact CG1-CD2 4.07Å; V76-L117 HydrophobicContact CG1-CG 3.84Å; V76-L117 HydrophobicContact CG2-CD2 4Å; D113-L117 VanDerWaalsContact O-CB 3.25Å; D113-L117 WeakPolarHBondContact O-CB 3.45Å; D113-L117 PolarHBondContact O-N 2.83Å; D113-L117 VanDerWaalsContact O-N 3.11Å; M114-L117 PolarHBondContact O-N 2.84Å; L117-S121 WeakPolarHBondContact O-CB 3.33Å; L117-S121 PolarHBondContact O-N 3.27Å; L117-S121 PolarHBondContact O-OG 3.01Å |
| 118 | A | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V103 L106 L107 M114 E115 S121 F122 | V103-A118 HydrophobicContact CG1-CB 4.12Å; L106-A118 HydrophobicContact CB-CB 3.54Å; L106-A118 HydrophobicContact CD1-CB 4.11Å; L107-A118 HydrophobicContact CD2-CB 3.77Å; L107-A118 HydrophobicContact CG-CB 3.7Å; M114-A118 VanDerWaalsContact O-CB 3.29Å; M114-A118 WeakPolarHBondContact O-CB 3.13Å; M114-A118 PolarHBondContact O-N 2.99Å; E115-A118 PolarHBondContact O-N 3.19Å; A118-S121 PolarHBondContact O-N 2.87Å; A118-F122 WeakPolarHBondContact O-CB 3.41Å; A118-F122 PolarHBondContact O-N 3.42Å |
| 119 | T | 96.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | E115 L116 S121 F122 V123 F146 A166 | E115-T119 WeakPolarHBondContact O-CB 3.19Å; E115-T119 PolarHBondContact O-N 3.41Å; E115-T119 PolarHBondContact O-OG1 2.89Å; L116-T119 PolarHBondContact O-N 3.41Å; T119-S121 VanDerWaalsContact C-N 3.29Å; T119-S121 PolarHBondContact O-N 3.38Å; T119-F122 PolarHBondContact O-N 3.03Å; T119-F122 VanDerWaalsContact O-N 3.13Å; T119-V123 HydrophobicContact CG2-CG2 4.26Å; T119-V123 VanDerWaalsContact O-CG2 3.29Å; T119-V123 WeakPolarHBondContact O-CG2 3.38Å; T119-V123 PolarHBondContact O-N 3.3Å; T119-F146 HydrophobicContact CG2-CE1 4.14Å; T119-A166 HydrophobicContact CG2-CB 3.88Å; T119-A166 WeakPolarHBondContact CG2-O 3.49Å |
| 120 | S | 95.7 | Very high | 90.9 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 43% | 0.434 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.2 | -43.9 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | L116 F122 V123 N124 | L116-S120 WeakPolarHBondContact O-CB 3.25Å; L116-S120 PolarHBondContact O-N 2.93Å; S120-F122 PolarHBondContact O-N 3.1Å; S120-V123 PolarHBondContact O-N 3.44Å; S120-N124 WeakPolarHBondContact O-CB 3.36Å; S120-N124 PolarHBondContact O-N 3Å; S120-N124 PolarHBondContact O-ND2 3.24Å |
| 121 | S | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 112 | V76 N80 F99 L117 A118 T119 N124 F125 | V76-S121 WeakPolarHBondContact CG1-OG 3.24Å; N80-S121 PolarHBondContact ND2-OG 2.82Å; N80-S121 VanDerWaalsContact OD1-CB 3.31Å; N80-S121 WeakPolarHBondContact OD1-CB 3.49Å; N80-S121 PolarHBondContact OD1-OG 2.69Å; F99-S121 WeakPolarHBondContact CZ-O 3.49Å; L117-S121 WeakPolarHBondContact O-CB 3.33Å; L117-S121 PolarHBondContact O-N 3.27Å; L117-S121 PolarHBondContact O-OG 3.01Å; A118-S121 PolarHBondContact O-N 2.87Å; T119-S121 VanDerWaalsContact C-N 3.29Å; T119-S121 PolarHBondContact O-N 3.38Å; S121-N124 PolarHBondContact O-N 2.85Å; S121-F125 PolarHBondContact O-N 3.41Å |
| 122 | F | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.2 | -174 | -92.3 | 0 | 0 | 0 | 112.7 | L100 V103 A118 T119 S120 F125 A126 Y139 F142 F146 V174 | L100-F122 HydrophobicContact CD2-CD2 3.95Å; L100-F122 HydrophobicContact CD2-CE2 3.88Å; V103-F122 HydrophobicContact CG1-CB 4.03Å; V103-F122 HydrophobicContact CG1-CD2 4.34Å; A118-F122 WeakPolarHBondContact O-CB 3.41Å; A118-F122 PolarHBondContact O-N 3.42Å; T119-F122 PolarHBondContact O-N 3.03Å; T119-F122 VanDerWaalsContact O-N 3.13Å; S120-F122 PolarHBondContact O-N 3.1Å; F122-F125 HydrophobicContact CD2-CD1 4.27Å; F122-F125 HydrophobicContact CE2-CD1 4.21Å; F122-F125 HydrophobicContact CE2-CE1 4.34Å; F122-F125 WeakPolarHBondContact O-CB 3.31Å; F122-F125 PolarHBondContact O-N 3.19Å; F122-A126 WeakPolarHBondContact O-CB 3.38Å; F122-A126 PolarHBondContact O-N 3.17Å; F122-Y139 HydrophobicContact CE2-CD1 4.32Å; F122-Y139 HydrophobicContact CE2-CE1 4.07Å; F122-Y139 HydrophobicContact CZ-CD1 4.11Å; F122-Y139 AromaticContact CZ-CE1 3.97Å; F122-Y139 HydrophobicContact CZ-CE1 3.97Å; F122-F142 HydrophobicContact CD2-CD1 4.1Å; F122-F142 HydrophobicContact CD2-CE1 4.12Å; F122-F142 HydrophobicContact CE2-CD1 4.04Å; F122-F142 HydrophobicContact CE2-CD2 4.17Å; F122-F142 HydrophobicContact CE2-CE1 4.28Å; F122-F142 HydrophobicContact CE2-CE2 4.39Å; F122-F142 AromaticContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CZ 4.45Å; F122-F142 HydrophobicContact CZ-CG 4.49Å; F122-F146 HydrophobicContact CB-CZ 4Å; F122-F146 AromaticContact CD1-CE2 3.56Å; F122-F146 HydrophobicContact CD1-CE2 3.56Å; F122-F146 AromaticContact CD1-CZ 3.66Å; F122-F146 HydrophobicContact CD1-CZ 3.66Å; F122-F146 HydrophobicContact CD2-CE2 4.35Å; F122-F146 HydrophobicContact CD2-CZ 4.32Å; F122-F146 AromaticContact CE1-CE2 3.65Å; F122-F146 HydrophobicContact CE1-CE2 3.65Å; F122-F146 HydrophobicContact CE1-CZ 4.24Å; F122-F146 HydrophobicContact CE2-CE2 4.42Å; F122-F146 AromaticContact CG-CE2 3.94Å; F122-F146 HydrophobicContact CG-CE2 3.94Å; F122-F146 AromaticContact CG-CZ 3.72Å; F122-F146 HydrophobicContact CG-CZ 3.72Å; F122-F146 HydrophobicContact CZ-CE2 4.1Å; F122-V174 HydrophobicContact CE1-CG2 3.69Å; F122-V174 HydrophobicContact CZ-CG2 3.63Å |
| 123 | V | 93.9 | Very high | 87.5 | Confident | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | T119 S120 F125 A126 N127 K169 | T119-V123 HydrophobicContact CG2-CG2 4.26Å; T119-V123 VanDerWaalsContact O-CG2 3.29Å; T119-V123 WeakPolarHBondContact O-CG2 3.38Å; T119-V123 PolarHBondContact O-N 3.3Å; S120-V123 PolarHBondContact O-N 3.44Å; V123-F125 VanDerWaalsContact C-N 3.3Å; V123-F125 PolarHBondContact O-N 2.96Å; V123-A126 PolarHBondContact O-N 3.26Å; V123-A126 VanDerWaalsContact O-N 3.14Å; V123-N127 PolarHBondContact O-N 3.1Å; V123-N127 VanDerWaalsContact O-N 3.07Å; V123-N127 PolarHBondContact O-ND2 3.2Å; V123-K169 HydrophobicContact CG2-CB 3.94Å; V123-K169 WeakPolarHBondContact CG2-O 3.19Å |
| 124 | N | 91.8 | Very high | 86.4 | Confident | 69 Ų | 69 | 43 Ų | 43 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 173.7 | -70.6 | -20.9 | 0 | 0 | 0 | 111.1 | S120 S121 N127 I128 | S120-N124 WeakPolarHBondContact O-CB 3.36Å; S120-N124 PolarHBondContact O-N 3Å; S120-N124 PolarHBondContact O-ND2 3.24Å; S121-N124 PolarHBondContact O-N 2.85Å; N124-N127 PolarHBondContact O-N 2.99Å; N124-I128 WeakPolarHBondContact O-CG1 3.03Å |
| 125 | F | 91.6 | Very high | 85 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 172.1 | 160.6 | -105.3 | 0 | 0 | 0 | 112.8 | L83 V96 F99 L100 S121 F122 V123 N127 I128 E130 Y139 K177 | L83-F125 HydrophobicContact CD1-CD2 4.44Å; L83-F125 HydrophobicContact CD2-CB 3.64Å; L83-F125 HydrophobicContact CD2-CD2 4.16Å; L83-F125 HydrophobicContact CD2-CG 4.39Å; V96-F125 HydrophobicContact CB-CE2 4.36Å; V96-F125 HydrophobicContact CG1-CD2 4.23Å; V96-F125 HydrophobicContact CG1-CE2 3.43Å; V96-F125 VanDerWaalsContact CG1-CE2 3.43Å; V96-F125 HydrophobicContact CG1-CZ 3.74Å; V96-F125 HydrophobicContact CG2-CD2 4.35Å; V96-F125 HydrophobicContact CG2-CE2 3.91Å; F99-F125 HydrophobicContact CD1-CB 4.35Å; F99-F125 HydrophobicContact CE1-CB 3.67Å; F99-F125 HydrophobicContact CE1-CG 4.3Å; F99-F125 HydrophobicContact CZ-CB 4.31Å; L100-F125 HydrophobicContact CD2-CD1 4.09Å; L100-F125 HydrophobicContact CD2-CE1 3.97Å; S121-F125 PolarHBondContact O-N 3.41Å; F122-F125 HydrophobicContact CD2-CD1 4.27Å; F122-F125 HydrophobicContact CE2-CD1 4.21Å; F122-F125 HydrophobicContact CE2-CE1 4.34Å; F122-F125 WeakPolarHBondContact O-CB 3.31Å; F122-F125 PolarHBondContact O-N 3.19Å; V123-F125 VanDerWaalsContact C-N 3.3Å; V123-F125 PolarHBondContact O-N 2.96Å; F125-N127 PolarHBondContact O-N 3.29Å; F125-I128 PolarHBondContact O-N 3.42Å; F125-E130 VanDerWaalsContact CE2-OE1 3.29Å; F125-E130 WeakPolarHBondContact CE2-OE1 3.45Å; F125-Y139 HydrophobicContact CE1-CE1 4.46Å; F125-K177 HydrophobicContact CE1-CD 4.42Å; F125-K177 HydrophobicContact CE1-CG 4.33Å; F125-K177 HydrophobicContact CZ-CD 4.32Å; F125-K177 VanDerWaalsContact O-CE 3.24Å; F125-K177 WeakPolarHBondContact O-CE 3.38Å; F125-K177 PolarHBondContact O-NZ 3.5Å |
| 126 | A | 90 | Very high | 83.7 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -27.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F122 V123 G173 K177 | F122-A126 WeakPolarHBondContact O-CB 3.38Å; F122-A126 PolarHBondContact O-N 3.17Å; V123-A126 PolarHBondContact O-N 3.26Å; V123-A126 VanDerWaalsContact O-N 3.14Å; A126-G173 VanDerWaalsContact CB-CA 3.43Å; A126-G173 WeakPolarHBondContact CB-O 3.24Å; A126-K177 VanDerWaalsContact CA-CE 3.45Å; A126-K177 HydrophobicContact CB-CG 4.29Å; A126-K177 WeakPolarHBondContact O-CE 3.48Å |
| 127 | N | 88.2 | Confident | 82.8 | Confident | 83 Ų | 83 | 52 Ų | 52 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -5.9 | -179.6 | -67.4 | -27.6 | 0 | 0 | 0 | 114.2 | V123 N124 F125 R176 | V123-N127 PolarHBondContact O-N 3.1Å; V123-N127 VanDerWaalsContact O-N 3.07Å; V123-N127 PolarHBondContact O-ND2 3.2Å; N124-N127 PolarHBondContact O-N 2.99Å; F125-N127 PolarHBondContact O-N 3.29Å; N127-R176 PolarHBondContact OD1-NH1 3.46Å |
| 128 | I | 85.1 | Confident | 82.1 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -85.2 | 122.3 | 175.6 | -66 | 166.7 | 0 | 0 | 0 | 108.4 | L83 V84 H87 N124 F125 K177 | L83-I128 HydrophobicContact CD2-CD1 3.74Å; L83-I128 HydrophobicContact CG-CD1 3.65Å; V84-I128 HydrophobicContact CG2-CD1 4.27Å; H87-I128 HydrophobicContact CB-CG2 3.67Å; N124-I128 WeakPolarHBondContact O-CG1 3.03Å; F125-I128 PolarHBondContact O-N 3.42Å; I128-K177 PolarHBondContact O-NZ 3.43Å |
| 129 | E | 78.2 | Confident | 81.7 | Confident | 179 Ų | 179 | 59.9 Ų | 59.9 | 84% | 0.836 | 30% | 0.297 | S | S | * | . | trans | -67.6 | 138.8 | 173 | -67.4 | -179.4 | 178.5 | 0 | 0 | 110.4 | ||||
| 130 | E | 73.3 | Confident | 81.4 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | trans | -115 | 122.5 | -179.3 | -71.8 | 175.3 | -153.6 | 0 | 0 | 109.7 | F125 T132 R137 K177 | F125-E130 VanDerWaalsContact CE2-OE1 3.29Å; F125-E130 WeakPolarHBondContact CE2-OE1 3.45Å; E130-T132 PolarHBondContact O-N 2.88Å; E130-R137 IonicContact OE1-CZ 2.71Å; E130-R137 IonicContact OE1-NH1 2.61Å; E130-R137 PolarHBondContact OE1-NH1 2.99Å; E130-R137 IonicContact OE1-NH2 3.75Å; E130-R137 PolarHBondContact OE1-NH2 2.66Å; E130-R137 IonicContact OE2-CZ 3.61Å; E130-R137 IonicContact OE2-NH1 3.15Å; E130-R137 PolarHBondContact OE2-NH1 3.43Å; E130-R137 IonicContact OE2-NH2 3.05Å; E130-R137 PolarHBondContact OE2-NH2 3.2Å; E130-K177 IonicContact OE1-NZ 2.79Å; E130-K177 PolarHBondContact OE1-NZ 3.3Å | ||
| 131 | D | 67 | Low | 81.3 | Confident | 146 Ų | 146 | 62.6 Ų | 62.6 | 78% | 0.781 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -65.5 | -27.2 | 178.6 | -63.5 | -36.3 | 0 | 0 | 0 | 112.6 | ||
| 132 | T | 66 | Low | 81.2 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -127.7 | 105.5 | 179 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | E130 | E130-T132 PolarHBondContact O-N 2.88Š|
| 133 | P | 65 | Low | 81.2 | Confident | 41 Ų | 41 | 63 Ų | 63 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | trans | -61.4 | 144.4 | 178.1 | 21.2 | -31.1 | 0 | 0 | 0 | 112.2 | Y135 D181 | P133-Y135 HydrophobicContact CB-CE1 4Å; P133-Y135 HydrophobicContact CG-CE1 4.12Å; P133-Y135 HydrophobicContact CG-CE2 4.44Å; P133-Y135 VanDerWaalsContact CG-OH 3.31Å; P133-Y135 WeakPolarHBondContact CG-OH 3.27Å; P133-D181 WeakPolarHBondContact CB-OD2 3.24Å | ||
| 134 | S | 69.3 | Low | 81.3 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | trans | -111 | 81.1 | -168.7 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | H136 R137 | S134-H136 PolarHBondContact O-N 3.15Å; S134-H136 PolarHBondContact OG-CE1 3.27Å; S134-H136 PolarHBondContact OG-ND1 3.34Å; S134-H136 PolarHBondContact OG-NE2 3.05Å; S134-R137 PolarHBondContact O-N 2.95Å; S134-R137 VanDerWaalsContact O-N 3.11Å; S134-R137 WeakPolarHBondContact OG-CG 3.44Å; S134-R137 PolarHBondContact OG-NE 3.19Å; S134-R137 VanDerWaalsContact OG-NE 3.15Å | ||
| 135 | Y | 63.3 | Low | 81.5 | Confident | 112 Ų | 112 | 62 Ų | 62 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.4 | -172.3 | -53.4 | -59.9 | 0 | 0 | 0 | 116.2 | P133 R137 D181 L183 Q184 | P133-Y135 HydrophobicContact CB-CE1 4Å; P133-Y135 HydrophobicContact CG-CE1 4.12Å; P133-Y135 HydrophobicContact CG-CE2 4.44Å; P133-Y135 VanDerWaalsContact CG-OH 3.31Å; P133-Y135 WeakPolarHBondContact CG-OH 3.27Å; Y135-R137 VanDerWaalsContact C-N 3.35Å; Y135-D181 WeakPolarHBondContact CE1-OD2 3.24Å; Y135-L183 HydrophobicContact CD1-CB 3.77Å; Y135-L183 VanDerWaalsContact CD1-O 3.23Å; Y135-L183 WeakPolarHBondContact CD1-O 3.17Å; Y135-L183 HydrophobicContact CE1-CB 3.17Å; Y135-L183 HydrophobicContact CE1-CD1 4.22Å; Y135-L183 HydrophobicContact CE1-CG 4.32Å; Y135-L183 WeakPolarHBondContact OH-CD1 3.47Å; Y135-Q184 HydrophobicContact CD1-CG 3.79Å; Y135-Q184 HydrophobicContact CE1-CG 4.07Å |
| 136 | H | 67.2 | Low | 81.8 | Confident | 121 Ų | 121 | 61.9 Ų | 61.9 | 56% | 0.56 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.9 | 179.4 | 61.7 | -90.5 | 0 | 0 | 0 | 113.9 | S134 R138 | S134-H136 PolarHBondContact O-N 3.15Å; S134-H136 PolarHBondContact OG-CE1 3.27Å; S134-H136 PolarHBondContact OG-ND1 3.34Å; S134-H136 PolarHBondContact OG-NE2 3.05Å; H136-R138 PolarHBondContact O-N 3.35Å |
| 137 | R | 76.4 | Confident | 82.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | trans | -73.2 | 124.3 | -179.1 | -67.7 | -177.5 | -165 | 149.5 | 5.3 | 109.9 | N93 E130 S134 Y135 Y139 | N93-R137 PolarHBondContact OD1-NH2 3.35Å; E130-R137 IonicContact OE1-CZ 2.71Å; E130-R137 IonicContact OE1-NH1 2.61Å; E130-R137 PolarHBondContact OE1-NH1 2.99Å; E130-R137 IonicContact OE1-NH2 3.75Å; E130-R137 PolarHBondContact OE1-NH2 2.66Å; E130-R137 IonicContact OE2-CZ 3.61Å; E130-R137 IonicContact OE2-NH1 3.15Å; E130-R137 PolarHBondContact OE2-NH1 3.43Å; E130-R137 IonicContact OE2-NH2 3.05Å; E130-R137 PolarHBondContact OE2-NH2 3.2Å; S134-R137 PolarHBondContact O-N 2.95Å; S134-R137 VanDerWaalsContact O-N 3.11Å; S134-R137 WeakPolarHBondContact OG-CG 3.44Å; S134-R137 PolarHBondContact OG-NE 3.19Å; S134-R137 VanDerWaalsContact OG-NE 3.15Å; Y135-R137 VanDerWaalsContact C-N 3.35Å; R137-Y139 HydrophobicContact CB-CE2 3.97Å | ||
| 138 | R | 78.7 | Confident | 82.5 | Confident | 203 Ų | 203 | 61.1 Ų | 61.1 | 77% | 0.766 | 30% | 0.302 | S | S | * | . | trans | -99.5 | 121.1 | 175.7 | -62.3 | -176.9 | -175.9 | 178.1 | -0.8 | 109.6 | H136 | H136-R138 PolarHBondContact O-N 3.35Š| ||
| 139 | Y | 88.4 | Confident | 83.1 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | trans | -98.3 | 0.7 | 179.9 | -68 | -75.1 | 0 | 0 | 0 | 113.7 | F122 F125 R137 F141 F142 I143 V174 T178 | F122-Y139 HydrophobicContact CE2-CD1 4.32Å; F122-Y139 HydrophobicContact CE2-CE1 4.07Å; F122-Y139 HydrophobicContact CZ-CD1 4.11Å; F122-Y139 AromaticContact CZ-CE1 3.97Å; F122-Y139 HydrophobicContact CZ-CE1 3.97Å; F125-Y139 HydrophobicContact CE1-CE1 4.46Å; R137-Y139 HydrophobicContact CB-CE2 3.97Å; Y139-F141 VanDerWaalsContact C-N 3.29Å; Y139-F141 PolarHBondContact O-N 3.09Å; Y139-F142 AromaticContact CD1-CD2 3.9Å; Y139-F142 HydrophobicContact CD1-CD2 3.9Å; Y139-F142 CarbonylContact O-C 3.6Å; Y139-F142 WeakPolarHBondContact O-CA 3.49Å; Y139-F142 WeakPolarHBondContact O-CB 3.25Å; Y139-F142 PolarHBondContact O-N 3.35Å; Y139-I143 WeakPolarHBondContact O-CG1 3.45Å; Y139-I143 PolarHBondContact O-N 3.15Å; Y139-V174 HydrophobicContact CD1-CG1 4.38Å; Y139-V174 HydrophobicContact CD1-CG2 4.5Å; Y139-V174 HydrophobicContact CG-CG1 4.09Å; Y139-T178 HydrophobicContact CD2-CG2 3.5Å; Y139-T178 HydrophobicContact CE2-CG2 3.71Å; Y139-T178 HydrophobicContact CG-CG2 4.36Å | ||
| 140 | D | 89.7 | Confident | 83.9 | Confident | 65 Ų | 65 | 51.4 Ų | 51.4 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.2 | -43.3 | -174.9 | -48.4 | -25.8 | 0 | 0 | 0 | 113.7 | S144 H192 | D140-S144 WeakPolarHBondContact O-CB 3.29Å; D140-S144 PolarHBondContact O-N 3.27Å; D140-S144 PolarHBondContact O-OG 3.45Å; D140-H192 IonicContact OD1-CE1 3.59Å; D140-H192 PolarHBondContact OD1-CE1 3.23Å; D140-H192 IonicContact OD1-NE2 3.8Å |
| 141 | F | 92.8 | Very high | 85 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 25% | 0.25 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.4 | 170.3 | -93.8 | 0 | 0 | 0 | 110.9 | H104 L107 E108 Y139 S144 K145 | H104-F141 HydrophobicContact CB-CD1 4.4Å; H104-F141 HydrophobicContact CB-CE1 4Å; H104-F141 AromaticContact CD2-CE1 3.82Å; H104-F141 AromaticContact CD2-CE2 3.85Å; H104-F141 AromaticContact CD2-CZ 3.51Å; H104-F141 AromaticContact CE1-CD1 3.77Å; H104-F141 AromaticContact CE1-CD2 3.37Å; H104-F141 WeakPolarHBondContact CE1-CD2 3.37Å; H104-F141 AromaticContact CE1-CE1 3.94Å; H104-F141 AromaticContact CE1-CE2 3.53Å; H104-F141 AromaticContact CE1-CG 3.5Å; H104-F141 VanDerWaalsContact CE1-CG 3.5Å; H104-F141 WeakPolarHBondContact CE1-CG 3.47Å; H104-F141 AromaticContact CE1-CZ 3.81Å; H104-F141 AromaticContact CG-CD1 3.85Å; H104-F141 AromaticContact CG-CE1 3.55Å; H104-F141 AromaticContact CG-CZ 3.76Å; H104-F141 AromaticContact ND1-CD1 3.47Å; H104-F141 WeakPolarHBondContact ND1-CD1 3.43Å; H104-F141 AromaticContact ND1-CD2 3.96Å; H104-F141 AromaticContact ND1-CE1 3.67Å; H104-F141 AromaticContact ND1-CG 3.63Å; H104-F141 AromaticContact ND1-CZ 3.98Å; H104-F141 AromaticContact NE2-CD2 3.7Å; H104-F141 AromaticContact NE2-CE2 3.34Å; H104-F141 VanDerWaalsContact NE2-CE2 3.34Å; H104-F141 WeakPolarHBondContact NE2-CE2 3.41Å; H104-F141 AromaticContact NE2-CZ 3.53Å; L107-F141 HydrophobicContact CB-CE1 4.35Å; L107-F141 HydrophobicContact CB-CZ 4.32Å; L107-F141 HydrophobicContact CD1-CE1 4.11Å; E108-F141 HydrophobicContact CG-CE2 4.21Å; E108-F141 HydrophobicContact CG-CZ 4.02Å; Y139-F141 VanDerWaalsContact C-N 3.29Å; Y139-F141 PolarHBondContact O-N 3.09Å; F141-S144 PolarHBondContact O-N 3.48Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CZ-CB 4.3Å; F141-K145 HydrophobicContact CZ-CG 4.33Å; F141-K145 VanDerWaalsContact O-CB 3.23Å; F141-K145 WeakPolarHBondContact O-CB 3.44Å; F141-K145 PolarHBondContact O-N 2.98Å |
| 142 | F | 94.5 | Very high | 86.2 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | -178.8 | -66.7 | -68.3 | 0 | 0 | 0 | 111.5 | L100 V103 L107 F122 Y139 S144 K145 F146 V174 | L100-F142 HydrophobicContact CB-CE2 4.29Å; L100-F142 HydrophobicContact CB-CZ 4.05Å; L100-F142 HydrophobicContact CD2-CE2 4.05Å; L100-F142 HydrophobicContact CD2-CZ 3.89Å; L100-F142 HydrophobicContact CG-CZ 4.49Å; V103-F142 HydrophobicContact CB-CE1 4.15Å; V103-F142 HydrophobicContact CG1-CD1 4.48Å; V103-F142 HydrophobicContact CG1-CE1 3.66Å; V103-F142 HydrophobicContact CG1-CZ 4.47Å; L107-F142 HydrophobicContact CD1-CD1 3.94Å; L107-F142 HydrophobicContact CD1-CE1 4.07Å; F122-F142 HydrophobicContact CD2-CD1 4.1Å; F122-F142 HydrophobicContact CD2-CE1 4.12Å; F122-F142 HydrophobicContact CE2-CD1 4.04Å; F122-F142 HydrophobicContact CE2-CD2 4.17Å; F122-F142 HydrophobicContact CE2-CE1 4.28Å; F122-F142 HydrophobicContact CE2-CE2 4.39Å; F122-F142 AromaticContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CG 3.99Å; F122-F142 HydrophobicContact CE2-CZ 4.45Å; F122-F142 HydrophobicContact CZ-CG 4.49Å; Y139-F142 AromaticContact CD1-CD2 3.9Å; Y139-F142 HydrophobicContact CD1-CD2 3.9Å; Y139-F142 CarbonylContact O-C 3.6Å; Y139-F142 WeakPolarHBondContact O-CA 3.49Å; Y139-F142 WeakPolarHBondContact O-CB 3.25Å; Y139-F142 PolarHBondContact O-N 3.35Å; F142-S144 PolarHBondContact O-N 2.89Å; F142-K145 PolarHBondContact O-N 3.22Å; F142-F146 HydrophobicContact CB-CD2 3.98Å; F142-F146 HydrophobicContact CB-CE2 3.79Å; F142-F146 HydrophobicContact CD1-CE2 4.01Å; F142-F146 HydrophobicContact CD1-CZ 4.18Å; F142-F146 HydrophobicContact CG-CE2 4.3Å; F142-F146 VanDerWaalsContact O-CB 3.23Å; F142-F146 WeakPolarHBondContact O-CB 3.32Å; F142-F146 WeakPolarHBondContact O-CD2 3.49Å; F142-F146 VanDerWaalsContact O-CG 3.26Å; F142-F146 WeakPolarHBondContact O-CG 3.16Å; F142-F146 PolarHBondContact O-N 3.32Å; F142-V174 HydrophobicContact CB-CG2 4.16Å |
| 143 | I | 94.9 | Very high | 87.4 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -52.7 | 174.9 | -65.4 | 167.8 | 0 | 0 | 0 | 109.4 | Y139 K145 S147 V174 H192 K195 I196 | Y139-I143 WeakPolarHBondContact O-CG1 3.45Å; Y139-I143 PolarHBondContact O-N 3.15Å; I143-K145 VanDerWaalsContact C-N 3.32Å; I143-K145 PolarHBondContact O-N 3.06Å; I143-S147 VanDerWaalsContact O-CB 3.26Å; I143-S147 WeakPolarHBondContact O-CB 3.39Å; I143-S147 PolarHBondContact O-N 2.99Å; I143-S147 PolarHBondContact O-OG 2.95Å; I143-S147 VanDerWaalsContact O-OG 3.14Å; I143-V174 HydrophobicContact CD1-CG1 4.17Å; I143-V174 HydrophobicContact CG1-CG1 3.82Å; I143-H192 HydrophobicContact CD1-CB 4.03Å; I143-K195 HydrophobicContact CG2-CB 4.29Å; I143-K195 HydrophobicContact CG2-CD 4.32Å; I143-I196 HydrophobicContact CG2-CD1 4.23Å; I143-I196 HydrophobicContact CG2-CG1 3.97Å |
| 144 | S | 95.5 | Very high | 88.6 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -40.6 | -177.8 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | D140 F141 F142 S148 K195 | D140-S144 WeakPolarHBondContact O-CB 3.29Å; D140-S144 PolarHBondContact O-N 3.27Å; D140-S144 PolarHBondContact O-OG 3.45Å; F141-S144 PolarHBondContact O-N 3.48Å; F142-S144 PolarHBondContact O-N 2.89Å; S144-S148 WeakPolarHBondContact O-CB 3.4Å; S144-S148 PolarHBondContact O-N 2.9Å; S144-K195 PolarHBondContact OG-NZ 3.05Å |
| 145 | K | 96.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 13% | 0.13 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.8 | -39.8 | -177.5 | -178.1 | 61.1 | -166 | -171.1 | 0 | 112.8 | L107 E115 F141 F142 I143 S148 L149 | L107-K145 HydrophobicContact CB-CD 4.48Å; L107-K145 HydrophobicContact CB-CG 3.89Å; L107-K145 HydrophobicContact CD1-CG 4.11Å; L107-K145 HydrophobicContact CD2-CG 4.34Å; L107-K145 HydrophobicContact CG-CG 4.34Å; L107-K145 WeakPolarHBondContact O-CE 3.14Å; L107-K145 PolarHBondContact O-NZ 3.45Å; E115-K145 VanDerWaalsContact OE1-CE 3.31Å; E115-K145 WeakPolarHBondContact OE1-CE 3.41Å; E115-K145 IonicContact OE1-NZ 3.83Å; E115-K145 PolarHBondContact OE1-NZ 3.44Å; F141-K145 HydrophobicContact CE1-CB 4.35Å; F141-K145 HydrophobicContact CZ-CB 4.3Å; F141-K145 HydrophobicContact CZ-CG 4.33Å; F141-K145 VanDerWaalsContact O-CB 3.23Å; F141-K145 WeakPolarHBondContact O-CB 3.44Å; F141-K145 PolarHBondContact O-N 2.98Å; F142-K145 PolarHBondContact O-N 3.22Å; I143-K145 VanDerWaalsContact C-N 3.32Å; I143-K145 PolarHBondContact O-N 3.06Å; K145-S148 WeakPolarHBondContact O-CB 3.38Å; K145-S148 PolarHBondContact O-N 3.33Å; K145-L149 PolarHBondContact O-N 2.9Å |
| 146 | F | 97.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.2 | -39.7 | 175.1 | -68.2 | -43.3 | 0 | 0 | 0 | 111.7 | L107 T119 F122 F142 S148 L149 C150 G167 G170 L171 V174 | L107-F146 HydrophobicContact CD1-CE1 3.97Å; L107-F146 HydrophobicContact CD1-CZ 4.13Å; L107-F146 HydrophobicContact CD2-CE1 4.15Å; T119-F146 HydrophobicContact CG2-CE1 4.14Å; F122-F146 HydrophobicContact CB-CZ 4Å; F122-F146 AromaticContact CD1-CE2 3.56Å; F122-F146 HydrophobicContact CD1-CE2 3.56Å; F122-F146 AromaticContact CD1-CZ 3.66Å; F122-F146 HydrophobicContact CD1-CZ 3.66Å; F122-F146 HydrophobicContact CD2-CE2 4.35Å; F122-F146 HydrophobicContact CD2-CZ 4.32Å; F122-F146 AromaticContact CE1-CE2 3.65Å; F122-F146 HydrophobicContact CE1-CE2 3.65Å; F122-F146 HydrophobicContact CE1-CZ 4.24Å; F122-F146 HydrophobicContact CE2-CE2 4.42Å; F122-F146 AromaticContact CG-CE2 3.94Å; F122-F146 HydrophobicContact CG-CE2 3.94Å; F122-F146 AromaticContact CG-CZ 3.72Å; F122-F146 HydrophobicContact CG-CZ 3.72Å; F122-F146 HydrophobicContact CZ-CE2 4.1Å; F142-F146 HydrophobicContact CB-CD2 3.98Å; F142-F146 HydrophobicContact CB-CE2 3.79Å; F142-F146 HydrophobicContact CD1-CE2 4.01Å; F142-F146 HydrophobicContact CD1-CZ 4.18Å; F142-F146 HydrophobicContact CG-CE2 4.3Å; F142-F146 VanDerWaalsContact O-CB 3.23Å; F142-F146 WeakPolarHBondContact O-CB 3.32Å; F142-F146 WeakPolarHBondContact O-CD2 3.49Å; F142-F146 VanDerWaalsContact O-CG 3.26Å; F142-F146 WeakPolarHBondContact O-CG 3.16Å; F142-F146 PolarHBondContact O-N 3.32Å; F146-S148 VanDerWaalsContact C-N 3.28Å; F146-S148 PolarHBondContact O-N 3.12Å; F146-L149 HydrophobicContact CD1-CD1 4.22Å; F146-L149 WeakPolarHBondContact O-CB 3.43Å; F146-L149 PolarHBondContact O-N 3.26Å; F146-C150 PolarHBondContact O-N 3.35Å; F146-C150 PolarHBondContact O-SG 2.95Å; F146-C150 VanDerWaalsContact O-SG 3.34Å; F146-G167 WeakPolarHBondContact O-CA 3.42Å; F146-G170 VanDerWaalsContact CD2-C 3.43Å; F146-L171 HydrophobicContact CB-CD2 3.7Å; F146-L171 HydrophobicContact CB-CG 3.82Å; F146-V174 HydrophobicContact CD2-CG2 4.01Å; F146-V174 HydrophobicContact CE2-CG2 4.12Å |
| 147 | S | 97.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 168.5 | -72 | 0 | 0 | 0 | 0 | 111.8 | I143 L149 C150 H151 K195 S199 | I143-S147 VanDerWaalsContact O-CB 3.26Å; I143-S147 WeakPolarHBondContact O-CB 3.39Å; I143-S147 PolarHBondContact O-N 2.99Å; I143-S147 PolarHBondContact O-OG 2.95Å; I143-S147 VanDerWaalsContact O-OG 3.14Å; S147-L149 VanDerWaalsContact C-N 3.31Å; S147-L149 PolarHBondContact O-N 3.11Å; S147-C150 WeakPolarHBondContact O-CB 3.43Å; S147-C150 PolarHBondContact O-N 2.71Å; S147-H151 PolarHBondContact O-CD2 3.19Å; S147-H151 PolarHBondContact O-N 2.6Å; S147-K195 PolarHBondContact OG-O 2.96Å; S147-S199 WeakPolarHBondContact CB-OG 3.43Å; S147-S199 PolarHBondContact O-OG 3.4Å; S147-S199 PolarHBondContact OG-OG 3.04Å |
| 148 | S | 96.5 | Very high | 92.5 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 46% | 0.462 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 173.3 | 169.6 | 0 | 0 | 0 | 0 | 112.9 | S144 K145 F146 H151 N152 | S144-S148 WeakPolarHBondContact O-CB 3.4Å; S144-S148 PolarHBondContact O-N 2.9Å; K145-S148 WeakPolarHBondContact O-CB 3.38Å; K145-S148 PolarHBondContact O-N 3.33Å; F146-S148 VanDerWaalsContact C-N 3.28Å; F146-S148 PolarHBondContact O-N 3.12Å; S148-H151 CarbonylContact O-C 3.36Å; S148-H151 PolarHBondContact O-N 2.9Å; S148-N152 PolarHBondContact O-N 3.23Å |
| 149 | L | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.4 | -35.8 | 175 | -72.1 | 179.8 | 0 | 0 | 0 | 112.3 | L107 E115 K145 F146 S147 H151 N152 L163 R164 | L107-L149 HydrophobicContact CD2-CD1 4.24Å; E115-L149 HydrophobicContact CB-CD2 4.5Å; K145-L149 PolarHBondContact O-N 2.9Å; F146-L149 HydrophobicContact CD1-CD1 4.22Å; F146-L149 WeakPolarHBondContact O-CB 3.43Å; F146-L149 PolarHBondContact O-N 3.26Å; S147-L149 VanDerWaalsContact C-N 3.31Å; S147-L149 PolarHBondContact O-N 3.11Å; L149-H151 PolarHBondContact O-N 3.44Å; L149-N152 VanDerWaalsContact O-CB 3.24Å; L149-N152 WeakPolarHBondContact O-CB 3.26Å; L149-N152 PolarHBondContact O-N 3.18Å; L149-L163 HydrophobicContact CD2-CD2 4.39Å; L149-R164 WeakPolarHBondContact O-CA 3.3Å |
| 150 | C | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -26.8 | 171.9 | -66.5 | 0 | 0 | 0 | 0 | 112.9 | F146 S147 R164 I168 N203 | F146-C150 PolarHBondContact O-N 3.35Å; F146-C150 PolarHBondContact O-SG 2.95Å; F146-C150 VanDerWaalsContact O-SG 3.34Å; S147-C150 WeakPolarHBondContact O-CB 3.43Å; S147-C150 PolarHBondContact O-N 2.71Å; C150-R164 WeakPolarHBondContact O-CG 2.95Å; C150-I168 PolarHBondContact SG-N 3.02Å; C150-N203 WeakPolarHBondContact CB-ND2 3.37Å; C150-N203 PolarHBondContact O-ND2 3.34Å; C150-N203 PolarHBondContact O-OD1 3.28Å |
| 151 | H | 95 | Very high | 93.5 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.375 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 15.6 | 178.6 | -67.1 | -69.3 | 0 | 0 | 0 | 113.1 | S147 S148 L149 N153 S199 F202 | S147-H151 PolarHBondContact O-CD2 3.19Å; S147-H151 PolarHBondContact O-N 2.6Å; S148-H151 CarbonylContact O-C 3.36Å; S148-H151 PolarHBondContact O-N 2.9Å; L149-H151 PolarHBondContact O-N 3.44Å; H151-N153 PolarHBondContact O-N 3.15Å; H151-S199 PolarHBondContact CD2-OG 3.48Å; H151-S199 PolarHBondContact NE2-OG 3.36Å; H151-S199 VanDerWaalsContact NE2-OG 3.09Å; H151-F202 AromaticContact CE1-CD1 3.73Å; H151-F202 AromaticContact CE1-CG 3.53Å; H151-F202 AromaticContact ND1-CD1 3.35Å; H151-F202 WeakPolarHBondContact ND1-CD1 3.06Å; H151-F202 AromaticContact ND1-CE1 3.67Å; H151-F202 AromaticContact ND1-CG 3.55Å |
| 152 | N | 93.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 52 Ų | 52 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | trans | -61 | 138.6 | -179.2 | -172.7 | -80.6 | 0 | 0 | 0 | 111.3 | S148 L149 A154 R160 L163 R164 | S148-N152 PolarHBondContact O-N 3.23Å; L149-N152 VanDerWaalsContact O-CB 3.24Å; L149-N152 WeakPolarHBondContact O-CB 3.26Å; L149-N152 PolarHBondContact O-N 3.18Å; N152-A154 WeakPolarHBondContact OD1-CB 3.47Å; N152-A154 PolarHBondContact OD1-N 2.83Å; N152-R160 WeakPolarHBondContact O-CG 3.43Å; N152-L163 HydrophobicContact CB-CB 4.09Å; N152-R164 HydrophobicContact CB-CG 4.39Å; N152-R164 PolarHBondContact O-NE 3Å; N152-R164 PolarHBondContact O-NH2 3.41Å | ||
| 153 | N | 90.7 | Very high | 93.5 | Very high | 119 Ų | 119 | 51.8 Ų | 51.8 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | trans | -125.3 | 46.2 | -178.6 | -163 | 28.6 | 0 | 0 | 0 | 112.3 | H151 | H151-N153 PolarHBondContact O-N 3.15Š| ||
| 154 | A | 90.5 | Very high | 93.6 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | trans | -58 | 144.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N152 D156 V159 R160 | N152-A154 WeakPolarHBondContact OD1-CB 3.47Å; N152-A154 PolarHBondContact OD1-N 2.83Å; A154-D156 PolarHBondContact O-N 3.42Å; A154-V159 HydrophobicContact CB-CB 4.41Å; A154-V159 HydrophobicContact CB-CG1 3.94Å; A154-R160 HydrophobicContact CB-CB 4.21Å; A154-R160 PolarHBondContact O-NE 3.33Å; A154-R160 PolarHBondContact O-NH2 3.06Å | ||
| 155 | A | 88.3 | Confident | 93.6 | Very high | 103 Ų | 103 | 50.8 Ų | 50.8 | 85% | 0.851 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -63 | -41.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L157 | A155-L157 PolarHBondContact O-N 2.94Š|
| 156 | D | 91.1 | Very high | 93.6 | Very high | 88 Ų | 88 | 49.7 Ų | 49.7 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -73.8 | 121.5 | 173.9 | 176.5 | 7.6 | 0 | 0 | 0 | 110.7 | A154 A158 V159 R160 | A154-D156 PolarHBondContact O-N 3.42Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.39Å; D156-A158 PolarHBondContact OD1-N 3.49Å; D156-V159 HydrophobicContact CB-CB 4.09Å; D156-V159 HydrophobicContact CB-CG2 4.16Å; D156-V159 PolarHBondContact O-N 2.93Å; D156-V159 WeakPolarHBondContact OD2-CG2 3.48Å; D156-R160 VanDerWaalsContact O-CB 3.3Å; D156-R160 WeakPolarHBondContact O-CB 3.46Å; D156-R160 PolarHBondContact O-N 2.87Å |
| 157 | L | 88.9 | Confident | 93.6 | Very high | 101 Ų | 101 | 49.7 Ų | 49.7 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -38.1 | 179.3 | -174.8 | 65 | 0 | 0 | 0 | 112.2 | A155 R160 Q161 | A155-L157 PolarHBondContact O-N 2.94Å; L157-R160 PolarHBondContact O-N 3.46Å; L157-Q161 HydrophobicContact CD1-CG 4.45Å; L157-Q161 WeakPolarHBondContact O-CB 3.47Å; L157-Q161 VanDerWaalsContact O-CG 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.47Å; L157-Q161 PolarHBondContact O-N 3.33Å |
| 158 | A | 89.8 | Confident | 93.6 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 39% | 0.388 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D156 K162 | D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.39Å; D156-A158 PolarHBondContact OD1-N 3.49Å; A158-K162 WeakPolarHBondContact O-CB 3.34Å; A158-K162 WeakPolarHBondContact O-CG 3.25Å; A158-K162 PolarHBondContact O-N 2.98Å |
| 159 | V | 91.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 28% | 0.279 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | P112 A154 D156 Q161 K162 L163 | P112-V159 HydrophobicContact CB-CG1 4.21Å; P112-V159 HydrophobicContact CG-CG1 4.19Å; A154-V159 HydrophobicContact CB-CB 4.41Å; A154-V159 HydrophobicContact CB-CG1 3.94Å; D156-V159 HydrophobicContact CB-CB 4.09Å; D156-V159 HydrophobicContact CB-CG2 4.16Å; D156-V159 PolarHBondContact O-N 2.93Å; D156-V159 WeakPolarHBondContact OD2-CG2 3.48Å; V159-Q161 PolarHBondContact O-N 3.26Å; V159-K162 PolarHBondContact O-N 3.11Å; V159-L163 HydrophobicContact CG1-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CG 4.27Å; V159-L163 WeakPolarHBondContact O-CB 3.46Å; V159-L163 WeakPolarHBondContact O-CG 3.37Å; V159-L163 PolarHBondContact O-N 3.41Å |
| 160 | R | 92.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 177.3 | -170.5 | -171.6 | -60.3 | 172.7 | 0.2 | 111.5 | N152 A154 D156 L157 L163 R164 | N152-R160 WeakPolarHBondContact O-CG 3.43Å; A154-R160 HydrophobicContact CB-CB 4.21Å; A154-R160 PolarHBondContact O-NE 3.33Å; A154-R160 PolarHBondContact O-NH2 3.06Å; D156-R160 VanDerWaalsContact O-CB 3.3Å; D156-R160 WeakPolarHBondContact O-CB 3.46Å; D156-R160 PolarHBondContact O-N 2.87Å; L157-R160 PolarHBondContact O-N 3.46Å; R160-L163 PolarHBondContact O-N 3.28Å; R160-R164 WeakPolarHBondContact O-CB 3.45Å; R160-R164 VanDerWaalsContact O-CG 3.29Å; R160-R164 WeakPolarHBondContact O-CG 3.41Å; R160-R164 PolarHBondContact O-N 3.25Å |
| 161 | Q | 92.5 | Very high | 93.6 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 178.3 | -75.3 | 177.1 | -3.1 | 0 | 0 | 111.7 | L157 V159 L163 R164 A165 P232 | L157-Q161 HydrophobicContact CD1-CG 4.45Å; L157-Q161 WeakPolarHBondContact O-CB 3.47Å; L157-Q161 VanDerWaalsContact O-CG 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.47Å; L157-Q161 PolarHBondContact O-N 3.33Å; V159-Q161 PolarHBondContact O-N 3.26Å; Q161-L163 PolarHBondContact O-N 2.9Å; Q161-R164 PolarHBondContact O-N 2.97Å; Q161-A165 VanDerWaalsContact O-CB 3.28Å; Q161-A165 WeakPolarHBondContact O-CB 3.12Å; Q161-A165 PolarHBondContact O-N 3.29Å; Q161-P232 HydrophobicContact CB-CG 4.29Å; Q161-P232 WeakPolarHBondContact O-CG 3.43Å |
| 162 | K | 94 | Very high | 93.6 | Very high | 132 Ų | 132 | 48.4 Ų | 48.4 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.9 | -43.7 | 177.4 | -75 | 176.5 | -179.5 | 177.4 | 0 | 112.4 | L116 A158 V159 A166 | L116-K162 HydrophobicContact CD1-CB 4.46Å; L116-K162 HydrophobicContact CD2-CB 4.27Å; A158-K162 WeakPolarHBondContact O-CB 3.34Å; A158-K162 WeakPolarHBondContact O-CG 3.25Å; A158-K162 PolarHBondContact O-N 2.98Å; V159-K162 PolarHBondContact O-N 3.11Å; K162-A166 VanDerWaalsContact O-CB 3.32Å; K162-A166 WeakPolarHBondContact O-CB 3.41Å; K162-A166 PolarHBondContact O-N 2.88Å |
| 163 | L | 94.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 179.3 | -70.5 | 174.6 | 0 | 0 | 0 | 112.2 | P112 E115 L116 L149 N152 V159 R160 Q161 A166 G167 | P112-L163 HydrophobicContact CB-CD1 4.22Å; P112-L163 HydrophobicContact CB-CD2 4.16Å; P112-L163 HydrophobicContact CG-CD1 4.29Å; E115-L163 HydrophobicContact CB-CD2 4.26Å; L116-L163 HydrophobicContact CD2-CD2 4.15Å; L116-L163 HydrophobicContact CG-CD2 4.2Å; L149-L163 HydrophobicContact CD2-CD2 4.39Å; N152-L163 HydrophobicContact CB-CB 4.09Å; V159-L163 HydrophobicContact CG1-CD1 3.74Å; V159-L163 HydrophobicContact CG1-CG 4.27Å; V159-L163 WeakPolarHBondContact O-CB 3.46Å; V159-L163 WeakPolarHBondContact O-CG 3.37Å; V159-L163 PolarHBondContact O-N 3.41Å; R160-L163 PolarHBondContact O-N 3.28Å; Q161-L163 PolarHBondContact O-N 2.9Å; L163-A166 WeakPolarHBondContact O-CB 3.38Å; L163-A166 PolarHBondContact O-N 2.98Å; L163-G167 PolarHBondContact O-N 2.99Å |
| 164 | R | 95.8 | Very high | 93.5 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 175 | -70 | -178.9 | -178.3 | -170.3 | -3.7 | 112.2 | L149 C150 N152 R160 Q161 A166 G167 I168 N203 D206 P232 | L149-R164 WeakPolarHBondContact O-CA 3.3Å; C150-R164 WeakPolarHBondContact O-CG 2.95Å; N152-R164 HydrophobicContact CB-CG 4.39Å; N152-R164 PolarHBondContact O-NE 3Å; N152-R164 PolarHBondContact O-NH2 3.41Å; R160-R164 WeakPolarHBondContact O-CB 3.45Å; R160-R164 VanDerWaalsContact O-CG 3.29Å; R160-R164 WeakPolarHBondContact O-CG 3.41Å; R160-R164 PolarHBondContact O-N 3.25Å; Q161-R164 PolarHBondContact O-N 2.97Å; R164-A166 VanDerWaalsContact C-N 3.26Å; R164-A166 PolarHBondContact O-N 2.99Å; R164-G167 PolarHBondContact O-N 3.16Å; R164-G167 VanDerWaalsContact O-N 3.12Å; R164-I168 WeakPolarHBondContact O-CG1 3.32Å; R164-I168 PolarHBondContact O-N 3.27Å; R164-N203 WeakPolarHBondContact CD-OD1 3.38Å; R164-D206 IonicContact CZ-OD2 3.35Å; R164-D206 IonicContact NH1-OD2 2.88Å; R164-D206 PolarHBondContact NH1-OD2 3.4Å; R164-P232 HydrophobicContact CB-CB 4.21Å; R164-P232 HydrophobicContact CB-CG 4.13Å |
| 165 | A | 95.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 40 Ų | 40 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -40.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q161 I168 K169 P232 L235 | Q161-A165 VanDerWaalsContact O-CB 3.28Å; Q161-A165 WeakPolarHBondContact O-CB 3.12Å; Q161-A165 PolarHBondContact O-N 3.29Å; A165-I168 PolarHBondContact O-N 2.78Å; A165-K169 WeakPolarHBondContact O-CB 3.4Å; A165-K169 VanDerWaalsContact O-CG 3.29Å; A165-K169 WeakPolarHBondContact O-CG 3.47Å; A165-K169 PolarHBondContact O-N 2.85Å; A165-P232 HydrophobicContact CB-CG 4.21Å; A165-L235 HydrophobicContact CB-CD1 3.73Å |
| 166 | A | 96.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L116 T119 K162 L163 R164 I168 K169 G170 | L116-A166 HydrophobicContact CD2-CB 3.64Å; T119-A166 HydrophobicContact CG2-CB 3.88Å; T119-A166 WeakPolarHBondContact CG2-O 3.49Å; K162-A166 VanDerWaalsContact O-CB 3.32Å; K162-A166 WeakPolarHBondContact O-CB 3.41Å; K162-A166 PolarHBondContact O-N 2.88Å; L163-A166 WeakPolarHBondContact O-CB 3.38Å; L163-A166 PolarHBondContact O-N 2.98Å; R164-A166 VanDerWaalsContact C-N 3.26Å; R164-A166 PolarHBondContact O-N 2.99Å; A166-I168 VanDerWaalsContact C-N 3.3Å; A166-I168 PolarHBondContact O-N 3.37Å; A166-K169 PolarHBondContact O-N 2.89Å; A166-G170 PolarHBondContact O-N 3.07Å |
| 167 | G | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53 | -47.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | F146 L163 R164 G170 L171 | F146-G167 WeakPolarHBondContact O-CA 3.42Å; L163-G167 PolarHBondContact O-N 2.99Å; R164-G167 PolarHBondContact O-N 3.16Å; R164-G167 VanDerWaalsContact O-N 3.12Å; G167-G170 PolarHBondContact O-N 2.82Å; G167-L171 WeakPolarHBondContact O-CG 3.42Å; G167-L171 PolarHBondContact O-N 2.75Å |
| 168 | I | 97.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.6 | -45.7 | -179.8 | -60.8 | 158.3 | 0 | 0 | 0 | 111.5 | C150 R164 A165 A166 G170 L171 R172 L200 N203 P232 L235 A236 C239 | C150-I168 PolarHBondContact SG-N 3.02Å; R164-I168 WeakPolarHBondContact O-CG1 3.32Å; R164-I168 PolarHBondContact O-N 3.27Å; A165-I168 PolarHBondContact O-N 2.78Å; A166-I168 VanDerWaalsContact C-N 3.3Å; A166-I168 PolarHBondContact O-N 3.37Å; I168-G170 PolarHBondContact O-N 3.24Å; I168-L171 PolarHBondContact O-N 3.1Å; I168-R172 WeakPolarHBondContact O-CB 3.47Å; I168-R172 PolarHBondContact O-N 2.97Å; I168-L200 HydrophobicContact CG1-CD2 4.49Å; I168-L200 HydrophobicContact CG2-CD2 4.04Å; I168-N203 HydrophobicContact CD1-CB 3.89Å; I168-P232 HydrophobicContact CD1-CB 3.85Å; I168-P232 WeakPolarHBondContact CD1-O 3.48Å; I168-L235 HydrophobicContact CB-CB 4.39Å; I168-L235 HydrophobicContact CD1-CB 4.34Å; I168-L235 HydrophobicContact CG2-CB 3.83Å; I168-L235 WeakPolarHBondContact CG2-O 3.41Å; I168-A236 HydrophobicContact CD1-CB 3.95Å; I168-A236 HydrophobicContact CG1-CB 4.48Å; I168-C239 HydrophobicContact CG2-CB 3.98Å |
| 169 | K | 96.8 | Very high | 91.9 | Very high | 66 Ų | 66 | 29.1 Ų | 29.1 | 29% | 0.287 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -59.4 | -38.9 | 176 | -72.1 | 175.7 | -178.7 | -176.9 | 0 | 111 | V123 A165 A166 G173 D230 L235 | V123-K169 HydrophobicContact CG2-CB 3.94Å; V123-K169 WeakPolarHBondContact CG2-O 3.19Å; A165-K169 WeakPolarHBondContact O-CB 3.4Å; A165-K169 VanDerWaalsContact O-CG 3.29Å; A165-K169 WeakPolarHBondContact O-CG 3.47Å; A165-K169 PolarHBondContact O-N 2.85Å; A166-K169 PolarHBondContact O-N 2.89Å; K169-G173 PolarHBondContact O-N 2.78Å; K169-D230 WeakPolarHBondContact CE-OD1 3.4Å; K169-D230 IonicContact NZ-OD1 3.04Å; K169-D230 PolarHBondContact NZ-OD1 3.43Å; K169-D230 IonicContact NZ-OD2 2.69Å; K169-D230 PolarHBondContact NZ-OD2 2.95Å; K169-D230 VanDerWaalsContact NZ-OD2 3.15Å; K169-L235 HydrophobicContact CD-CD1 4.49Å; K169-L235 HydrophobicContact CG-CD1 4.29Å |
| 170 | G | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -51.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F146 A166 G167 I168 R172 G173 V174 | F146-G170 VanDerWaalsContact CD2-C 3.43Å; A166-G170 PolarHBondContact O-N 3.07Å; G167-G170 PolarHBondContact O-N 2.82Å; I168-G170 PolarHBondContact O-N 3.24Å; G170-R172 VanDerWaalsContact C-N 3.34Å; G170-R172 PolarHBondContact O-N 3.24Å; G170-G173 WeakPolarHBondContact O-CA 3.31Å; G170-G173 PolarHBondContact O-N 3.49Å; G170-G173 VanDerWaalsContact O-N 3.1Å; G170-V174 PolarHBondContact O-N 3.32Å |
| 171 | L | 96.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -45.3 | 175.7 | -71.7 | -177.4 | 0 | 0 | 0 | 111.8 | F146 G167 I168 G173 V174 V175 I196 | F146-L171 HydrophobicContact CB-CD2 3.7Å; F146-L171 HydrophobicContact CB-CG 3.82Å; G167-L171 WeakPolarHBondContact O-CG 3.42Å; G167-L171 PolarHBondContact O-N 2.75Å; I168-L171 PolarHBondContact O-N 3.1Å; L171-G173 VanDerWaalsContact C-N 3.26Å; L171-G173 PolarHBondContact O-N 3.46Å; L171-V174 WeakPolarHBondContact O-CB 3.49Å; L171-V174 PolarHBondContact O-N 3.42Å; L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 3.28Å; L171-I196 HydrophobicContact CD2-CG1 4.17Å |
| 172 | R | 94.7 | Very high | 88 | Confident | 62 Ų | 62 | 32.6 Ų | 32.6 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -41.5 | 174.7 | -169.5 | 178.9 | -176.5 | -177.7 | 5.3 | 111.8 | I168 G170 V175 R176 C239 E242 | I168-R172 WeakPolarHBondContact O-CB 3.47Å; I168-R172 PolarHBondContact O-N 2.97Å; G170-R172 VanDerWaalsContact C-N 3.34Å; G170-R172 PolarHBondContact O-N 3.24Å; R172-V175 PolarHBondContact O-N 3.08Å; R172-R176 VanDerWaalsContact NE-NH2 3.13Å; R172-R176 WeakPolarHBondContact O-CG 3.41Å; R172-R176 PolarHBondContact O-N 3.01Å; R172-C239 HydrophobicContact CB-CB 4.47Å; R172-E242 IonicContact CZ-OE2 2.65Å; R172-E242 IonicContact NE-OE2 2.79Å; R172-E242 PolarHBondContact NE-OE2 3.02Å; R172-E242 IonicContact NH2-OE2 3.5Å; R172-E242 PolarHBondContact NH2-OE2 3.25Å |
| 173 | G | 92.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | A126 K169 G170 L171 R176 K177 | A126-G173 VanDerWaalsContact CB-CA 3.43Å; A126-G173 WeakPolarHBondContact CB-O 3.24Å; K169-G173 PolarHBondContact O-N 2.78Å; G170-G173 WeakPolarHBondContact O-CA 3.31Å; G170-G173 PolarHBondContact O-N 3.49Å; G170-G173 VanDerWaalsContact O-N 3.1Å; L171-G173 VanDerWaalsContact C-N 3.26Å; L171-G173 PolarHBondContact O-N 3.46Å; G173-R176 PolarHBondContact O-N 2.96Å; G173-K177 PolarHBondContact O-N 3.28Å |
| 174 | V | 91.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | F122 Y139 F142 I143 F146 G170 L171 R176 K177 T178 I187 | F122-V174 HydrophobicContact CE1-CG2 3.69Å; F122-V174 HydrophobicContact CZ-CG2 3.63Å; Y139-V174 HydrophobicContact CD1-CG1 4.38Å; Y139-V174 HydrophobicContact CD1-CG2 4.5Å; Y139-V174 HydrophobicContact CG-CG1 4.09Å; F142-V174 HydrophobicContact CB-CG2 4.16Å; I143-V174 HydrophobicContact CD1-CG1 4.17Å; I143-V174 HydrophobicContact CG1-CG1 3.82Å; F146-V174 HydrophobicContact CD2-CG2 4.01Å; F146-V174 HydrophobicContact CE2-CG2 4.12Å; G170-V174 PolarHBondContact O-N 3.32Å; L171-V174 WeakPolarHBondContact O-CB 3.49Å; L171-V174 PolarHBondContact O-N 3.42Å; V174-R176 VanDerWaalsContact C-N 3.29Å; V174-R176 PolarHBondContact O-N 3.18Å; V174-K177 PolarHBondContact O-N 2.98Å; V174-K177 VanDerWaalsContact O-N 3.16Å; V174-T178 HydrophobicContact CG1-CG2 4.41Å; V174-T178 PolarHBondContact O-N 3.43Å; V174-T178 VanDerWaalsContact O-N 3.14Å; V174-T178 PolarHBondContact O-OG1 2.99Å; V174-I187 HydrophobicContact CG1-CD1 4.18Å |
| 175 | V | 89.7 | Confident | 83 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58 | -41.7 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111 | L171 R172 K177 T178 A179 I187 L243 | L171-V175 WeakPolarHBondContact O-CG2 3.47Å; L171-V175 PolarHBondContact O-N 3.28Å; R172-V175 PolarHBondContact O-N 3.08Å; V175-K177 VanDerWaalsContact C-N 3.33Å; V175-K177 PolarHBondContact O-N 3.25Å; V175-T178 PolarHBondContact O-N 3.35Å; V175-A179 HydrophobicContact CG1-CB 3.96Å; V175-A179 WeakPolarHBondContact O-CB 3.44Å; V175-A179 PolarHBondContact O-N 3.29Å; V175-I187 HydrophobicContact CB-CD1 4.3Å; V175-I187 HydrophobicContact CG2-CD1 3.72Å; V175-L243 HydrophobicContact CG1-CB 4.29Å; V175-L243 HydrophobicContact CG1-CD1 3.78Å; V175-L243 HydrophobicContact CG2-CD1 3.93Å |
| 176 | R | 86.9 | Confident | 81.9 | Confident | 73 Ų | 73 | 37.4 Ų | 37.4 | 28% | 0.275 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.5 | -37.1 | 177.1 | -77.1 | 176.4 | 179.2 | -176.7 | -3.5 | 114 | N127 R172 G173 V174 E242 | N127-R176 PolarHBondContact OD1-NH1 3.46Å; R172-R176 VanDerWaalsContact NE-NH2 3.13Å; R172-R176 WeakPolarHBondContact O-CG 3.41Å; R172-R176 PolarHBondContact O-N 3.01Å; G173-R176 PolarHBondContact O-N 2.96Å; V174-R176 VanDerWaalsContact C-N 3.29Å; V174-R176 PolarHBondContact O-N 3.18Å; R176-E242 WeakPolarHBondContact CG-OE1 3.09Å; R176-E242 IonicContact CZ-OE1 3.14Å; R176-E242 IonicContact CZ-OE2 3.38Å; R176-E242 IonicContact NE-OE1 3.84Å; R176-E242 PolarHBondContact NE-OE1 3.27Å; R176-E242 IonicContact NE-OE2 2.73Å; R176-E242 IonicContact NH2-OE1 2.7Å; R176-E242 IonicContact NH2-OE2 3.43Å; R176-E242 PolarHBondContact NH2-OE2 3.32Å |
| 177 | K | 85.5 | Confident | 81.4 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 9% | 0.091 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.1 | -27.3 | -179 | -76.5 | -73.9 | 172.8 | 179.4 | 0 | 113.6 | F125 A126 I128 E130 G173 V174 V175 Q184 | F125-K177 HydrophobicContact CE1-CD 4.42Å; F125-K177 HydrophobicContact CE1-CG 4.33Å; F125-K177 HydrophobicContact CZ-CD 4.32Å; F125-K177 VanDerWaalsContact O-CE 3.24Å; F125-K177 WeakPolarHBondContact O-CE 3.38Å; F125-K177 PolarHBondContact O-NZ 3.5Å; A126-K177 VanDerWaalsContact CA-CE 3.45Å; A126-K177 HydrophobicContact CB-CG 4.29Å; A126-K177 WeakPolarHBondContact O-CE 3.48Å; I128-K177 PolarHBondContact O-NZ 3.43Å; E130-K177 IonicContact OE1-NZ 2.79Å; E130-K177 PolarHBondContact OE1-NZ 3.3Å; G173-K177 PolarHBondContact O-N 3.28Å; V174-K177 PolarHBondContact O-N 2.98Å; V174-K177 VanDerWaalsContact O-N 3.16Å; V175-K177 VanDerWaalsContact C-N 3.33Å; V175-K177 PolarHBondContact O-N 3.25Å; K177-Q184 PolarHBondContact O-NE2 3.15Å; K177-Q184 PolarHBondContact O-OE1 2.76Å |
| 178 | T | 82.3 | Confident | 81 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -113.9 | -30.3 | -167.5 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | Y139 V174 V175 S180 I187 | Y139-T178 HydrophobicContact CD2-CG2 3.5Å; Y139-T178 HydrophobicContact CE2-CG2 3.71Å; Y139-T178 HydrophobicContact CG-CG2 4.36Å; V174-T178 HydrophobicContact CG1-CG2 4.41Å; V174-T178 PolarHBondContact O-N 3.43Å; V174-T178 VanDerWaalsContact O-N 3.14Å; V174-T178 PolarHBondContact O-OG1 2.99Å; V175-T178 PolarHBondContact O-N 3.35Å; T178-S180 PolarHBondContact O-N 2.82Å; T178-I187 WeakPolarHBondContact OG1-CB 3.45Å; T178-I187 WeakPolarHBondContact OG1-CD1 3.46Å |
| 179 | A | 69.2 | Low | 80.6 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V175 I187 W188 K246 | V175-A179 HydrophobicContact CG1-CB 3.96Å; V175-A179 WeakPolarHBondContact O-CB 3.44Å; V175-A179 PolarHBondContact O-N 3.29Å; A179-I187 HydrophobicContact CB-CG2 4.36Å; A179-W188 HydrophobicContact CB-CZ2 4.34Å; A179-K246 HydrophobicContact CB-CB 4.02Å; A179-K246 HydrophobicContact CB-CD 3.83Å |
| 180 | S | 68.1 | Low | 80.3 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 66% | 0.657 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.9 | -178.7 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | T178 | T178-S180 PolarHBondContact O-N 2.82Š|
| 181 | D | 66.3 | Low | 80 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -127.3 | 99.4 | -170.6 | -174.9 | 3.9 | 0 | 0 | 0 | 110.4 | P133 Y135 L183 Q184 | P133-D181 WeakPolarHBondContact CB-OD2 3.24Å; Y135-D181 WeakPolarHBondContact CE1-OD2 3.24Å; D181-L183 PolarHBondContact O-N 3.01Å; D181-L183 PolarHBondContact OD1-N 3.41Å; D181-Q184 HydrophobicContact CB-CG 4.11Å; D181-Q184 PolarHBondContact O-N 2.89Å; D181-Q184 VanDerWaalsContact O-N 3.13Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.36Å; D181-Q184 PolarHBondContact OD2-NE2 2.97Å | ||
| 182 | D | 60.5 | Low | 79.9 | Confident | 142 Ų | 142 | 51 Ų | 51 | 76% | 0.759 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15.9 | -176.5 | -71.5 | -30.3 | 0 | 0 | 0 | 113.6 | ||
| 183 | L | 58.4 | Low | 79.9 | Confident | 124 Ų | 124 | 48 Ų | 48 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -10.5 | -179.6 | -71 | 165.9 | 0 | 0 | 0 | 113.6 | Y135 D181 | Y135-L183 HydrophobicContact CD1-CB 3.77Å; Y135-L183 VanDerWaalsContact CD1-O 3.23Å; Y135-L183 WeakPolarHBondContact CD1-O 3.17Å; Y135-L183 HydrophobicContact CE1-CB 3.17Å; Y135-L183 HydrophobicContact CE1-CD1 4.22Å; Y135-L183 HydrophobicContact CE1-CG 4.32Å; Y135-L183 WeakPolarHBondContact OH-CD1 3.47Å; D181-L183 PolarHBondContact O-N 3.01Å; D181-L183 PolarHBondContact OD1-N 3.41Å |
| 184 | Q | 61.7 | Low | 80 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -82 | 169.4 | 178.3 | -68.3 | -174.3 | 26.7 | 0 | 0 | 112.8 | Y135 K177 D181 N186 | Y135-Q184 HydrophobicContact CD1-CG 3.79Å; Y135-Q184 HydrophobicContact CE1-CG 4.07Å; K177-Q184 PolarHBondContact O-NE2 3.15Å; K177-Q184 PolarHBondContact O-OE1 2.76Å; D181-Q184 HydrophobicContact CB-CG 4.11Å; D181-Q184 PolarHBondContact O-N 2.89Å; D181-Q184 VanDerWaalsContact O-N 3.13Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.36Å; D181-Q184 PolarHBondContact OD2-NE2 2.97Å; Q184-N186 PolarHBondContact O-N 3.28Å; Q184-N186 VanDerWaalsContact O-N 3.07Å |
| 185 | A | 60 | Low | 80.2 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -49.1 | 120.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | I187 | A185-I187 PolarHBondContact O-N 3.4Š|
| 186 | N | 72 | Confident | 80.6 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | trans | -72.8 | 98.5 | -163.8 | -176.6 | 4.9 | 0 | 0 | 0 | 109.7 | Q184 W188 E189 H192 | Q184-N186 PolarHBondContact O-N 3.28Å; Q184-N186 VanDerWaalsContact O-N 3.07Å; N186-W188 PolarHBondContact O-N 3.44Å; N186-W188 WeakPolarHBondContact OD1-CB 3.48Å; N186-W188 PolarHBondContact OD1-N 2.98Å; N186-E189 HydrophobicContact CB-CG 4.01Å; N186-E189 WeakPolarHBondContact O-CB 3.41Å; N186-E189 VanDerWaalsContact O-CG 3.31Å; N186-E189 WeakPolarHBondContact O-CG 3.5Å; N186-E189 PolarHBondContact O-N 2.93Å; N186-H192 PolarHBondContact O-CD2 3.45Å | ||
| 187 | I | 86.5 | Confident | 81.1 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23.6 | 176.5 | -171.1 | 171 | 0 | 0 | 0 | 112.1 | V174 V175 T178 A179 A185 E189 H192 M193 I196 | V174-I187 HydrophobicContact CG1-CD1 4.18Å; V175-I187 HydrophobicContact CB-CD1 4.3Å; V175-I187 HydrophobicContact CG2-CD1 3.72Å; T178-I187 WeakPolarHBondContact OG1-CB 3.45Å; T178-I187 WeakPolarHBondContact OG1-CD1 3.46Å; A179-I187 HydrophobicContact CB-CG2 4.36Å; A185-I187 PolarHBondContact O-N 3.4Å; I187-E189 PolarHBondContact O-N 2.75Å; I187-H192 WeakPolarHBondContact O-CB 3.05Å; I187-M193 HydrophobicContact CD1-CE 4.34Å; I187-M193 HydrophobicContact CG1-CE 3.7Å; I187-M193 WeakPolarHBondContact O-CE 3.18Å; I187-I196 HydrophobicContact CD1-CD1 3.9Å; I187-I196 HydrophobicContact CG1-CD1 3.87Å |
| 188 | W | 88.7 | Confident | 81.6 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -3.4 | 178.2 | -53.2 | 102.2 | 0 | 0 | 0 | 114 | A179 N186 M193 L243 A247 N251 N254 A255 | A179-W188 HydrophobicContact CB-CZ2 4.34Å; N186-W188 PolarHBondContact O-N 3.44Å; N186-W188 WeakPolarHBondContact OD1-CB 3.48Å; N186-W188 PolarHBondContact OD1-N 2.98Å; W188-M193 HydrophobicContact CE3-CE 4.04Å; W188-M193 HydrophobicContact CE3-CG 4.46Å; W188-M193 HydrophobicContact CE3-SD 4.01Å; W188-M193 HydrophobicContact CZ3-CE 4.38Å; W188-M193 HydrophobicContact CZ3-SD 4.23Å; W188-L243 HydrophobicContact CH2-CD1 3.63Å; W188-L243 HydrophobicContact CH2-CG 4.14Å; W188-L243 WeakPolarHBondContact CH2-O 3.45Å; W188-L243 HydrophobicContact CZ2-CD1 4.26Å; W188-L243 HydrophobicContact CZ3-CD1 3.93Å; W188-L243 HydrophobicContact CZ3-CG 4.29Å; W188-A247 HydrophobicContact CH2-CB 3.41Å; W188-A247 VanDerWaalsContact CH2-CB 3.41Å; W188-A247 HydrophobicContact CZ2-CB 3.94Å; W188-A247 HydrophobicContact CZ3-CB 3.9Å; W188-N251 HydrophobicContact CB-CB 4.07Å; W188-N251 HydrophobicContact CD2-CB 3.62Å; W188-N251 HydrophobicContact CE3-CB 3.98Å; W188-N251 HydrophobicContact CG-CB 3.64Å; W188-N251 VanDerWaalsContact CG-CG 3.47Å; W188-N254 HydrophobicContact CB-CB 4.39Å; W188-N254 VanDerWaalsContact O-CB 3.26Å; W188-N254 WeakPolarHBondContact O-CB 3.06Å; W188-N254 PolarHBondContact O-ND2 3.42Å; W188-A255 HydrophobicContact CZ3-CB 4.16Å |
| 189 | E | 89.2 | Confident | 82.3 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -60.8 | 143.7 | 171.7 | -74.5 | 173.7 | -166.1 | 0 | 0 | 111.5 | N186 I187 Q191 H192 M193 | N186-E189 HydrophobicContact CB-CG 4.01Å; N186-E189 WeakPolarHBondContact O-CB 3.41Å; N186-E189 VanDerWaalsContact O-CG 3.31Å; N186-E189 WeakPolarHBondContact O-CG 3.5Å; N186-E189 PolarHBondContact O-N 2.93Å; I187-E189 PolarHBondContact O-N 2.75Å; E189-Q191 HydrophobicContact CB-CG 4.01Å; E189-Q191 PolarHBondContact O-N 3.41Å; E189-Q191 VanDerWaalsContact O-N 3.13Å; E189-Q191 PolarHBondContact OE2-NE2 3.35Å; E189-H192 PolarHBondContact O-N 3.06Å; E189-M193 PolarHBondContact O-N 3.4Å |
| 190 | K | 90.3 | Very high | 83.7 | Confident | 155 Ų | 155 | 51.6 Ų | 51.6 | 67% | 0.674 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -51.8 | -40.3 | -178 | -175.3 | 172.7 | -179.1 | -179.7 | 0 | 112.9 | H192 M193 D194 | K190-H192 PolarHBondContact O-N 3.1Å; K190-H192 VanDerWaalsContact O-N 3.09Å; K190-M193 PolarHBondContact O-N 3.25Å; K190-D194 WeakPolarHBondContact CE-OD2 3.37Å; K190-D194 WeakPolarHBondContact CG-OD2 3.33Å; K190-D194 WeakPolarHBondContact O-CB 3.33Å; K190-D194 PolarHBondContact O-N 3.2Å |
| 191 | Q | 90.7 | Very high | 85 | Confident | 107 Ų | 107 | 47.1 Ų | 47.1 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.6 | -22.5 | 179.1 | 59 | 170.2 | -0.7 | 0 | 0 | 114.9 | E189 | E189-Q191 HydrophobicContact CB-CG 4.01Å; E189-Q191 PolarHBondContact O-N 3.41Å; E189-Q191 VanDerWaalsContact O-N 3.13Å; E189-Q191 PolarHBondContact OE2-NE2 3.35Å |
| 192 | H | 93.2 | Very high | 86.4 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -99.7 | -48.7 | 178.4 | -58.5 | -37.3 | 0 | 0 | 0 | 111 | D140 I143 N186 I187 E189 K190 D194 K195 I196 | D140-H192 IonicContact OD1-CE1 3.59Å; D140-H192 PolarHBondContact OD1-CE1 3.23Å; D140-H192 IonicContact OD1-NE2 3.8Å; I143-H192 HydrophobicContact CD1-CB 4.03Å; N186-H192 PolarHBondContact O-CD2 3.45Å; I187-H192 WeakPolarHBondContact O-CB 3.05Å; E189-H192 PolarHBondContact O-N 3.06Å; K190-H192 PolarHBondContact O-N 3.1Å; K190-H192 VanDerWaalsContact O-N 3.09Å; H192-D194 VanDerWaalsContact C-N 3.3Å; H192-D194 PolarHBondContact O-N 3.28Å; H192-K195 WeakPolarHBondContact O-CB 3.34Å; H192-K195 PolarHBondContact O-N 3.46Å; H192-I196 HydrophobicContact CB-CD1 4.3Å; H192-I196 WeakPolarHBondContact O-CG1 3.44Å; H192-I196 PolarHBondContact O-N 2.89Å |
| 193 | M | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.1 | -35 | -178.7 | -73.8 | -66 | 128 | 0 | 0 | 112.9 | I187 W188 E189 K190 K195 I196 V197 P198 L243 N254 P258 | I187-M193 HydrophobicContact CD1-CE 4.34Å; I187-M193 HydrophobicContact CG1-CE 3.7Å; I187-M193 WeakPolarHBondContact O-CE 3.18Å; W188-M193 HydrophobicContact CE3-CE 4.04Å; W188-M193 HydrophobicContact CE3-CG 4.46Å; W188-M193 HydrophobicContact CE3-SD 4.01Å; W188-M193 HydrophobicContact CZ3-CE 4.38Å; W188-M193 HydrophobicContact CZ3-SD 4.23Å; E189-M193 PolarHBondContact O-N 3.4Å; K190-M193 PolarHBondContact O-N 3.25Å; M193-K195 PolarHBondContact O-N 2.94Å; M193-K195 VanDerWaalsContact O-N 3.1Å; M193-I196 HydrophobicContact CE-CD1 3.79Å; M193-I196 PolarHBondContact O-N 3.28Å; M193-V197 PolarHBondContact O-N 3.36Å; M193-V197 HydrophobicContact SD-CG2 4.15Å; M193-P198 WeakPolarHBondContact O-CD 3.44Å; M193-L243 HydrophobicContact CE-CD1 3.94Å; M193-L243 HydrophobicContact CE-CD2 4.35Å; M193-L243 HydrophobicContact SD-CD2 4.15Å; M193-N254 VanDerWaalsContact CB-O 3.3Å; M193-N254 WeakPolarHBondContact CB-O 3.47Å; M193-N254 HydrophobicContact CG-CB 4.4Å; M193-P258 HydrophobicContact CB-CG 4.08Å |
| 194 | D | 95.3 | Very high | 89.8 | Confident | 71 Ų | 71 | 36.3 Ų | 36.3 | 38% | 0.38 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.6 | -10.4 | 174.3 | -71 | -3.4 | 0 | 0 | 0 | 113.1 | K190 H192 P198 P258 | K190-D194 WeakPolarHBondContact CE-OD2 3.37Å; K190-D194 WeakPolarHBondContact CG-OD2 3.33Å; K190-D194 WeakPolarHBondContact O-CB 3.33Å; K190-D194 PolarHBondContact O-N 3.2Å; H192-D194 VanDerWaalsContact C-N 3.3Å; H192-D194 PolarHBondContact O-N 3.28Å; D194-P198 WeakPolarHBondContact O-CG 3.31Å; D194-P258 WeakPolarHBondContact OD1-CG 3.25Å |
| 195 | K | 96 | Very high | 91 | Very high | 85 Ų | 85 | 36.8 Ų | 36.8 | 37% | 0.37 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -104.9 | -39.6 | 172.6 | -63.7 | 175.8 | -179.6 | 169.1 | 0 | 112.1 | I143 S144 S147 H192 M193 S199 | I143-K195 HydrophobicContact CG2-CB 4.29Å; I143-K195 HydrophobicContact CG2-CD 4.32Å; S144-K195 PolarHBondContact OG-NZ 3.05Å; S147-K195 PolarHBondContact OG-O 2.96Å; H192-K195 WeakPolarHBondContact O-CB 3.34Å; H192-K195 PolarHBondContact O-N 3.46Å; M193-K195 PolarHBondContact O-N 2.94Å; M193-K195 VanDerWaalsContact O-N 3.1Å; K195-S199 WeakPolarHBondContact O-CB 3.48Å; K195-S199 PolarHBondContact O-N 2.87Å; K195-S199 PolarHBondContact O-OG 2.78Å |
| 196 | I | 96.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.8 | -57.6 | -173.9 | -65.9 | 165.2 | 0 | 0 | 0 | 110 | I143 L171 I187 H192 M193 S199 L200 L243 | I143-I196 HydrophobicContact CG2-CD1 4.23Å; I143-I196 HydrophobicContact CG2-CG1 3.97Å; L171-I196 HydrophobicContact CD2-CG1 4.17Å; I187-I196 HydrophobicContact CD1-CD1 3.9Å; I187-I196 HydrophobicContact CG1-CD1 3.87Å; H192-I196 HydrophobicContact CB-CD1 4.3Å; H192-I196 WeakPolarHBondContact O-CG1 3.44Å; H192-I196 PolarHBondContact O-N 2.89Å; M193-I196 HydrophobicContact CE-CD1 3.79Å; M193-I196 PolarHBondContact O-N 3.28Å; I196-S199 WeakPolarHBondContact O-CB 3.46Å; I196-S199 PolarHBondContact O-N 3.18Å; I196-L200 HydrophobicContact CG2-CD1 4.16Å; I196-L200 WeakPolarHBondContact O-CG 3.36Å; I196-L200 PolarHBondContact O-N 2.81Å; I196-L200 VanDerWaalsContact O-N 3.08Å; I196-L243 HydrophobicContact CG2-CD2 3.99Å |
| 197 | V | 97.3 | Very high | 91 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -49.6 | -172.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | M193 S199 L200 L201 L243 A255 P258 A259 | M193-V197 PolarHBondContact O-N 3.36Å; M193-V197 HydrophobicContact SD-CG2 4.15Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 3.44Å; V197-L200 PolarHBondContact O-N 2.93Å; V197-L200 VanDerWaalsContact O-N 3.1Å; V197-L201 HydrophobicContact CG1-CD1 3.99Å; V197-L201 HydrophobicContact CG1-CG 4.26Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.04Å; V197-L243 HydrophobicContact CG2-CD2 4.15Å; V197-A255 HydrophobicContact CG2-CB 4.32Å; V197-P258 HydrophobicContact CB-CB 4.06Å; V197-P258 HydrophobicContact CG1-CB 4.28Å; V197-A259 HydrophobicContact CG1-CB 3.82Å |
| 198 | P | 96.9 | Very high | 89.5 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -38.4 | 174.9 | -30.5 | 41 | 0 | 0 | 0 | 114.1 | M193 D194 L200 L201 F202 | M193-P198 WeakPolarHBondContact O-CD 3.44Å; D194-P198 WeakPolarHBondContact O-CG 3.31Å; P198-L200 VanDerWaalsContact C-N 3.32Å; P198-L200 PolarHBondContact O-N 2.62Å; P198-L201 PolarHBondContact O-N 3Å; P198-F202 VanDerWaalsContact O-CB 3.31Å; P198-F202 WeakPolarHBondContact O-CB 3.42Å; P198-F202 PolarHBondContact O-N 3.07Å |
| 199 | S | 97.5 | Very high | 87.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -35.6 | 176.2 | -78.8 | 0 | 0 | 0 | 0 | 113.1 | S147 H151 K195 I196 V197 N203 | S147-S199 WeakPolarHBondContact CB-OG 3.43Å; S147-S199 PolarHBondContact O-OG 3.4Å; S147-S199 PolarHBondContact OG-OG 3.04Å; H151-S199 PolarHBondContact CD2-OG 3.48Å; H151-S199 PolarHBondContact NE2-OG 3.36Å; H151-S199 VanDerWaalsContact NE2-OG 3.09Å; K195-S199 WeakPolarHBondContact O-CB 3.48Å; K195-S199 PolarHBondContact O-N 2.87Å; K195-S199 PolarHBondContact O-OG 2.78Å; I196-S199 WeakPolarHBondContact O-CB 3.46Å; I196-S199 PolarHBondContact O-N 3.18Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 3.44Å; S199-N203 PolarHBondContact O-ND2 3.31Å |
| 200 | L | 97.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.8 | -49 | 175.2 | -62.3 | 177.6 | 0 | 0 | 0 | 110.6 | I168 I196 V197 P198 F202 N203 M204 A236 C239 L240 | I168-L200 HydrophobicContact CG1-CD2 4.49Å; I168-L200 HydrophobicContact CG2-CD2 4.04Å; I196-L200 HydrophobicContact CG2-CD1 4.16Å; I196-L200 WeakPolarHBondContact O-CG 3.36Å; I196-L200 PolarHBondContact O-N 2.81Å; I196-L200 VanDerWaalsContact O-N 3.08Å; V197-L200 PolarHBondContact O-N 2.93Å; V197-L200 VanDerWaalsContact O-N 3.1Å; P198-L200 VanDerWaalsContact C-N 3.32Å; P198-L200 PolarHBondContact O-N 2.62Å; L200-F202 VanDerWaalsContact C-N 3.32Å; L200-F202 PolarHBondContact O-N 3.26Å; L200-N203 PolarHBondContact O-N 3.1Å; L200-N203 VanDerWaalsContact O-N 3.08Å; L200-M204 WeakPolarHBondContact O-CG 3.41Å; L200-M204 PolarHBondContact O-N 2.96Å; L200-A236 HydrophobicContact CB-CB 4.43Å; L200-A236 HydrophobicContact CD2-CB 4.26Å; L200-A236 WeakPolarHBondContact O-CB 3.37Å; L200-C239 HydrophobicContact CD1-CB 4.31Å; L200-C239 HydrophobicContact CD2-CB 3.87Å; L200-L240 HydrophobicContact CD1-CB 4.1Å; L200-L240 HydrophobicContact CD1-CD1 4.22Å |
| 201 | L | 96.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | -179.2 | -64.2 | -177.2 | 0 | 0 | 0 | 112.6 | V197 P198 N203 M204 H205 L240 A259 H262 F263 V278 | V197-L201 HydrophobicContact CG1-CD1 3.99Å; V197-L201 HydrophobicContact CG1-CG 4.26Å; V197-L201 WeakPolarHBondContact O-CG 3.41Å; V197-L201 PolarHBondContact O-N 3.04Å; P198-L201 PolarHBondContact O-N 3Å; L201-N203 VanDerWaalsContact C-N 3.31Å; L201-N203 PolarHBondContact O-N 2.89Å; L201-M204 HydrophobicContact CD2-SD 4.1Å; L201-M204 PolarHBondContact O-N 3.09Å; L201-H205 PolarHBondContact O-N 2.88Å; L201-L240 HydrophobicContact CD2-CD2 4.05Å; L201-A259 HydrophobicContact CD1-CB 3.93Å; L201-H262 HydrophobicContact CD1-CB 3.96Å; L201-F263 HydrophobicContact CD1-CE2 4.11Å; L201-V278 HydrophobicContact CD2-CB 4.36Å; L201-V278 HydrophobicContact CD2-CG1 3.48Å; L201-V278 VanDerWaalsContact CD2-CG1 3.48Å; L201-V278 HydrophobicContact CD2-CG2 3.88Å |
| 202 | F | 95.6 | Very high | 80.6 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.1 | -45.3 | 173.9 | 176.9 | -100.9 | 0 | 0 | 0 | 112.3 | H151 P198 L200 H205 | H151-F202 AromaticContact CE1-CD1 3.73Å; H151-F202 AromaticContact CE1-CG 3.53Å; H151-F202 AromaticContact ND1-CD1 3.35Å; H151-F202 WeakPolarHBondContact ND1-CD1 3.06Å; H151-F202 AromaticContact ND1-CE1 3.67Å; H151-F202 AromaticContact ND1-CG 3.55Å; P198-F202 VanDerWaalsContact O-CB 3.31Å; P198-F202 WeakPolarHBondContact O-CB 3.42Å; P198-F202 PolarHBondContact O-N 3.07Å; L200-F202 VanDerWaalsContact C-N 3.32Å; L200-F202 PolarHBondContact O-N 3.26Å; F202-H205 PolarHBondContact O-N 3.38Å |
| 203 | N | 94.9 | Very high | 77.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.2 | -25.8 | -179.7 | -77.8 | -83.9 | 0 | 0 | 0 | 113.4 | C150 R164 I168 S199 L200 L201 S233 A236 | C150-N203 WeakPolarHBondContact CB-ND2 3.37Å; C150-N203 PolarHBondContact O-ND2 3.34Å; C150-N203 PolarHBondContact O-OD1 3.28Å; R164-N203 WeakPolarHBondContact CD-OD1 3.38Å; I168-N203 HydrophobicContact CD1-CB 3.89Å; S199-N203 PolarHBondContact O-ND2 3.31Å; L200-N203 PolarHBondContact O-N 3.1Å; L200-N203 VanDerWaalsContact O-N 3.08Å; L201-N203 VanDerWaalsContact C-N 3.31Å; L201-N203 PolarHBondContact O-N 2.89Å; N203-S233 WeakPolarHBondContact O-CA 3.35Å; N203-S233 WeakPolarHBondContact O-CB 3.39Å; N203-A236 HydrophobicContact CB-CB 3.85Å |
| 204 | M | 93.9 | Very high | 74.8 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.054 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 172.6 | -67.9 | 172 | 69 | 0 | 0 | 111.3 | L200 L201 D206 S207 A236 D237 L240 F274 V278 | L200-M204 WeakPolarHBondContact O-CG 3.41Å; L200-M204 PolarHBondContact O-N 2.96Å; L201-M204 HydrophobicContact CD2-SD 4.1Å; L201-M204 PolarHBondContact O-N 3.09Å; M204-D206 PolarHBondContact O-N 3Å; M204-S207 PolarHBondContact O-N 3.41Å; M204-S207 PolarHBondContact O-OG 3.09Å; M204-A236 HydrophobicContact CG-CB 3.64Å; M204-D237 HydrophobicContact CE-CB 3.97Å; M204-D237 WeakPolarHBondContact CE-OD1 3.43Å; M204-D237 HydrophobicContact CG-CB 4.49Å; M204-D237 HydrophobicContact SD-CB 4.47Å; M204-L240 HydrophobicContact CE-CD2 4.17Å; M204-L240 HydrophobicContact SD-CB 4.41Å; M204-L240 HydrophobicContact SD-CD2 3.81Å; M204-F274 HydrophobicContact CB-CE2 3.9Å; M204-F274 HydrophobicContact CB-CZ 3.93Å; M204-V278 HydrophobicContact CE-CG2 3.94Å |
| 205 | H | 86.8 | Confident | 71.8 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 18% | 0.181 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | -175.5 | -172.3 | 62.4 | 0 | 0 | 0 | 113.5 | L201 F202 S207 V208 N209 F274 | L201-H205 PolarHBondContact O-N 2.88Å; F202-H205 PolarHBondContact O-N 3.38Å; H205-S207 PolarHBondContact O-N 3.26Å; H205-V208 WeakPolarHBondContact O-CB 3.44Å; H205-V208 PolarHBondContact O-N 2.66Å; H205-N209 PolarHBondContact CD2-ND2 3.48Å; H205-N209 PolarHBondContact NE2-ND2 3.02Å; H205-N209 VanDerWaalsContact NE2-ND2 3.11Å; H205-N209 PolarHBondContact O-N 2.96Å; H205-F274 HydrophobicContact CB-CD1 4.25Å; H205-F274 HydrophobicContact CB-CE1 3.66Å; H205-F274 HydrophobicContact CB-CE2 4.14Å; H205-F274 HydrophobicContact CB-CZ 3.6Å; H205-F274 AromaticContact CG-CE1 3.98Å; H205-F274 AromaticContact ND1-CD1 3.34Å; H205-F274 VanDerWaalsContact ND1-CD1 3.34Å; H205-F274 WeakPolarHBondContact ND1-CD1 3.48Å; H205-F274 AromaticContact ND1-CE1 3.7Å; H205-F274 AromaticContact ND1-CG 3.55Å |
| 206 | D | 72.4 | Confident | 68.7 | Low | 50 Ų | 50 | 53.4 Ų | 53.4 | 27% | 0.267 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.2 | -29.6 | -178.2 | -88 | -4.2 | 0 | 0 | 0 | 113.3 | R164 M204 I210 | R164-D206 IonicContact CZ-OD2 3.35Å; R164-D206 IonicContact NH1-OD2 2.88Å; R164-D206 PolarHBondContact NH1-OD2 3.4Å; M204-D206 PolarHBondContact O-N 3Å; D206-I210 WeakPolarHBondContact O-CD1 3.33Å; D206-I210 VanDerWaalsContact O-CG1 3.25Å; D206-I210 WeakPolarHBondContact O-CG1 3.35Å; D206-I210 PolarHBondContact O-N 2.63Å |
| 207 | S | 60.3 | Low | 65.6 | Low | 47 Ų | 47 | 58.6 Ų | 58.6 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -36.3 | 175.9 | 67.2 | 0 | 0 | 0 | 0 | 113.5 | M204 H205 I210 S211 | M204-S207 PolarHBondContact O-N 3.41Å; M204-S207 PolarHBondContact O-OG 3.09Å; H205-S207 PolarHBondContact O-N 3.26Å; S207-I210 PolarHBondContact O-N 3.31Å; S207-S211 PolarHBondContact O-N 2.85Å |
| 208 | V | 55.2 | Low | 62.5 | Low | 35 Ų | 35 | 64.1 Ų | 64.1 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.7 | -44.3 | -179 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | H205 I210 S211 F212 F274 | H205-V208 WeakPolarHBondContact O-CB 3.44Å; H205-V208 PolarHBondContact O-N 2.66Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 3.35Å; V208-S211 PolarHBondContact O-N 3.45Å; V208-S211 PolarHBondContact O-OG 3.28Å; V208-F212 HydrophobicContact CG1-CD2 4.08Å; V208-F212 HydrophobicContact CG1-CE2 4.09Å; V208-F212 WeakPolarHBondContact O-CD2 3.04Å; V208-F212 PolarHBondContact O-N 3.46Å; V208-F274 HydrophobicContact CG2-CD2 3.86Å; V208-F274 HydrophobicContact CG2-CE2 4.45Å |
| 209 | N | 49.1 | Very low | 59.4 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 177.9 | -68.8 | -19.6 | 0 | 0 | 0 | 112.5 | H205 G213 | H205-N209 PolarHBondContact CD2-ND2 3.48Å; H205-N209 PolarHBondContact NE2-ND2 3.02Å; H205-N209 VanDerWaalsContact NE2-ND2 3.11Å; H205-N209 PolarHBondContact O-N 2.96Å; N209-G213 PolarHBondContact O-N 2.82Å; N209-G213 VanDerWaalsContact O-N 3.07Å |
| 210 | I | 42.2 | Very low | 56.5 | Low | 111 Ų | 111 | 77.5 Ų | 77.5 | 57% | 0.569 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 176.6 | -64.5 | 164.6 | 0 | 0 | 0 | 110.8 | D206 S207 V208 F212 G213 S214 | D206-I210 WeakPolarHBondContact O-CD1 3.33Å; D206-I210 VanDerWaalsContact O-CG1 3.25Å; D206-I210 WeakPolarHBondContact O-CG1 3.35Å; D206-I210 PolarHBondContact O-N 2.63Å; S207-I210 PolarHBondContact O-N 3.31Å; V208-I210 VanDerWaalsContact C-N 3.34Å; V208-I210 PolarHBondContact O-N 3.35Å; I210-F212 VanDerWaalsContact C-N 3.28Å; I210-F212 PolarHBondContact O-N 3.2Å; I210-G213 PolarHBondContact O-N 2.93Å; I210-S214 PolarHBondContact O-N 2.89Å; I210-S214 PolarHBondContact O-OG 3.27Å |
| 211 | S | 37.8 | Very low | 53.5 | Low | 80 Ų | 80 | 82.8 Ų | 82.8 | 56% | 0.559 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.7 | -28.3 | -179.2 | 70.6 | 0 | 0 | 0 | 0 | 114.1 | S207 V208 | S207-S211 PolarHBondContact O-N 2.85Å; V208-S211 PolarHBondContact O-N 3.45Å; V208-S211 PolarHBondContact O-OG 3.28Å |
| 212 | F | 41.8 | Very low | 50.5 | Low | 147 Ų | 147 | 87.3 Ų | 87.3 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -94.1 | -26 | 178.8 | -78.7 | -77.8 | 0 | 0 | 0 | 113.6 | V208 I210 | V208-F212 HydrophobicContact CG1-CD2 4.08Å; V208-F212 HydrophobicContact CG1-CE2 4.09Å; V208-F212 WeakPolarHBondContact O-CD2 3.04Å; V208-F212 PolarHBondContact O-N 3.46Å; I210-F212 VanDerWaalsContact C-N 3.28Å; I210-F212 PolarHBondContact O-N 3.2Å |
| 213 | G | 35.2 | Very low | 47.6 | Very low | 68 Ų | 68 | 89.2 Ų | 89.2 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -81.1 | -20.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N209 I210 | N209-G213 PolarHBondContact O-N 2.82Å; N209-G213 VanDerWaalsContact O-N 3.07Å; I210-G213 PolarHBondContact O-N 2.93Å |
| 214 | S | 32 | Very low | 44.7 | Very low | 64 Ų | 64 | 92.5 Ų | 92.5 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | trans | -107.3 | 68.6 | -177.5 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | I210 | I210-S214 PolarHBondContact O-N 2.89Å; I210-S214 PolarHBondContact O-OG 3.27Å | ||
| 215 | S | 32.3 | Very low | 42.2 | Very low | 119 Ų | 119 | 96.3 Ų | 96.3 | 83% | 0.832 | 59% | 0.59 | S | S | * | * | trans | -88 | 5.8 | 155.6 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 216 | E | 30.2 | Very low | 40 | Very low | 165 Ų | 165 | 97.6 Ų | 97.6 | 77% | 0.771 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -96.3 | 115.5 | 168.1 | -68.7 | -172.3 | 167.4 | 0 | 0 | 109.3 | T218 | E216-T218 PolarHBondContact O-N 3.05Å; E216-T218 PolarHBondContact O-OG1 3.49Å |
| 217 | A | 32.8 | Very low | 38.9 | Very low | 111 Ų | 111 | 99.4 Ų | 99.4 | 92% | 0.917 | 62% | 0.623 | S | S | * | * | trans | -39.4 | 99.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 218 | T | 31.4 | Very low | 38.6 | Very low | 116 Ų | 116 | 99.7 Ų | 99.7 | 71% | 0.712 | 62% | 0.623 | S | S | * | * | trans | -119.2 | 115.4 | 164.4 | -30.2 | 0 | 0 | 0 | 0 | 107.3 | E216 Q220 | E216-T218 PolarHBondContact O-N 3.05Å; E216-T218 PolarHBondContact O-OG1 3.49Å; T218-Q220 PolarHBondContact O-N 2.91Å | ||
| 219 | D | 31.7 | Very low | 39 | Very low | 133 Ų | 133 | 104 Ų | 104 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -36.2 | 96.2 | -175.1 | -67.8 | -47.8 | 0 | 0 | 0 | 114.5 | S221 | D219-S221 PolarHBondContact O-N 3.41Š| ||
| 220 | Q | 36.1 | Very low | 40.4 | Very low | 178 Ų | 178 | 103.9 Ų | 103.9 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -72 | 16.1 | 167.2 | -66.6 | -169.1 | 8 | 0 | 0 | 112.7 | T218 S222 | T218-Q220 PolarHBondContact O-N 2.91Å; Q220-S222 VanDerWaalsContact C-N 3.3Å; Q220-S222 PolarHBondContact O-N 3.2Å |
| 221 | S | 34.7 | Very low | 42.6 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -84.1 | 1.4 | 179 | 59.4 | 0 | 0 | 0 | 0 | 114 | D219 | D219-S221 PolarHBondContact O-N 3.41Š|
| 222 | S | 34.5 | Very low | 45.2 | Very low | 96 Ų | 96 | 100.4 Ų | 100.4 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -114 | 1.9 | -176.7 | 56.3 | 0 | 0 | 0 | 0 | 116.2 | Q220 | Q220-S222 VanDerWaalsContact C-N 3.3Å; Q220-S222 PolarHBondContact O-N 3.2Å |
| 223 | L | 34.4 | Very low | 47.6 | Very low | 99 Ų | 99 | 94.2 Ų | 94.2 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | trans | -103.6 | 102.1 | 174.5 | -62.2 | -179.5 | 0 | 0 | 0 | 110 | ||||
| 224 | S | 33.5 | Very low | 50.4 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | trans | -56 | 143.1 | 173.5 | 75.9 | 0 | 0 | 0 | 0 | 110.3 | G226 D227 | S224-G226 PolarHBondContact O-N 3.45Å; S224-D227 PolarHBondContact O-N 3.06Å; S224-D227 PolarHBondContact OG-OD2 3.47Å | ||
| 225 | A | 40.9 | Very low | 53.4 | Low | 90 Ų | 90 | 93 Ų | 93 | 74% | 0.744 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -54.4 | -23.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T228 | A225-T228 PolarHBondContact O-OG1 3.45Š|
| 226 | G | 41.8 | Very low | 56.4 | Low | 66 Ų | 66 | 87.3 Ų | 87.3 | 68% | 0.68 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -73.3 | -19.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S224 T228 | S224-G226 PolarHBondContact O-N 3.45Å; G226-T228 VanDerWaalsContact C-N 3.33Å |
| 227 | D | 48.4 | Very low | 59.5 | Low | 88 Ų | 88 | 81.6 Ų | 81.6 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -84.2 | -6.7 | -178.1 | -71 | -47.6 | 0 | 0 | 0 | 113.4 | S224 | S224-D227 PolarHBondContact O-N 3.06Å; S224-D227 PolarHBondContact OG-OD2 3.47Å |
| 228 | T | 54.8 | Low | 62.5 | Low | 53 Ų | 53 | 78.5 Ų | 78.5 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -74.4 | -34.3 | -174.5 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | A225 G226 D230 R231 H234 | A225-T228 PolarHBondContact O-OG1 3.45Å; G226-T228 VanDerWaalsContact C-N 3.33Å; T228-D230 VanDerWaalsContact C-N 3.28Å; T228-D230 PolarHBondContact O-N 3.46Å; T228-R231 PolarHBondContact O-N 3.26Å; T228-H234 PolarHBondContact O-ND1 3.43Å |
| 229 | D | 62.6 | Low | 65.5 | Low | 126 Ų | 126 | 73 Ų | 73 | 67% | 0.674 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.5 | -180 | -92.7 | -8.4 | 0 | 0 | 0 | 113.2 | ||
| 230 | D | 78.5 | Confident | 68.6 | Low | 89 Ų | 89 | 66.8 Ų | 66.8 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.9 | -177.2 | -97.8 | 0.1 | 0 | 0 | 0 | 113.7 | K169 T228 | K169-D230 WeakPolarHBondContact CE-OD1 3.4Å; K169-D230 IonicContact NZ-OD1 3.04Å; K169-D230 PolarHBondContact NZ-OD1 3.43Å; K169-D230 IonicContact NZ-OD2 2.69Å; K169-D230 PolarHBondContact NZ-OD2 2.95Å; K169-D230 VanDerWaalsContact NZ-OD2 3.15Å; T228-D230 VanDerWaalsContact C-N 3.28Å; T228-D230 PolarHBondContact O-N 3.46Å |
| 231 | R | 88.8 | Confident | 71.4 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | trans | -64.8 | 134 | 175 | -72.4 | -175.6 | 178.6 | 170.7 | 0.6 | 110.8 | T228 S233 H234 L235 | T228-R231 PolarHBondContact O-N 3.26Å; R231-S233 PolarHBondContact O-N 2.91Å; R231-S233 VanDerWaalsContact O-N 3.13Å; R231-H234 PolarHBondContact O-N 3.27Å; R231-L235 WeakPolarHBondContact O-CG 3.27Å; R231-L235 PolarHBondContact O-N 2.98Å; R231-L235 VanDerWaalsContact O-N 3.08Å | ||
| 232 | P | 93 | Very high | 74.2 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 10% | 0.104 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -53.2 | -36.5 | 179.5 | -28 | 34.1 | 0 | 0 | 0 | 114.1 | Q161 R164 A165 I168 A236 | Q161-P232 HydrophobicContact CB-CG 4.29Å; Q161-P232 WeakPolarHBondContact O-CG 3.43Å; R164-P232 HydrophobicContact CB-CB 4.21Å; R164-P232 HydrophobicContact CB-CG 4.13Å; A165-P232 HydrophobicContact CB-CG 4.21Å; I168-P232 HydrophobicContact CD1-CB 3.85Å; I168-P232 WeakPolarHBondContact CD1-O 3.48Å; P232-A236 VanDerWaalsContact O-CB 3.23Å; P232-A236 WeakPolarHBondContact O-CB 3.45Å; P232-A236 PolarHBondContact O-N 2.95Å |
| 233 | S | 92.6 | Very high | 77 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 12% | 0.119 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 179.9 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | N203 R231 A236 D237 | N203-S233 WeakPolarHBondContact O-CA 3.35Å; N203-S233 WeakPolarHBondContact O-CB 3.39Å; R231-S233 PolarHBondContact O-N 2.91Å; R231-S233 VanDerWaalsContact O-N 3.13Å; S233-A236 PolarHBondContact O-N 3.19Å; S233-D237 PolarHBondContact O-N 3.24Å |
| 234 | H | 93.2 | Very high | 79.8 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 178.6 | -61.1 | 163.2 | 0 | 0 | 0 | 111.4 | T228 R231 A236 D237 S238 | T228-H234 PolarHBondContact O-ND1 3.43Å; R231-H234 PolarHBondContact O-N 3.27Å; H234-A236 VanDerWaalsContact C-N 3.3Å; H234-A236 PolarHBondContact O-N 3.1Å; H234-D237 PolarHBondContact O-N 2.89Å; H234-S238 WeakPolarHBondContact O-CB 3.33Å; H234-S238 PolarHBondContact O-N 3.18Å |
| 235 | L | 94.8 | Very high | 82.5 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.4 | -69.5 | 173.3 | 0 | 0 | 0 | 111.5 | A165 I168 K169 R231 C239 | A165-L235 HydrophobicContact CB-CD1 3.73Å; I168-L235 HydrophobicContact CB-CB 4.39Å; I168-L235 HydrophobicContact CD1-CB 4.34Å; I168-L235 HydrophobicContact CG2-CB 3.83Å; I168-L235 WeakPolarHBondContact CG2-O 3.41Å; K169-L235 HydrophobicContact CD-CD1 4.49Å; K169-L235 HydrophobicContact CG-CD1 4.29Å; R231-L235 WeakPolarHBondContact O-CG 3.27Å; R231-L235 PolarHBondContact O-N 2.98Å; R231-L235 VanDerWaalsContact O-N 3.08Å; L235-C239 WeakPolarHBondContact O-CB 3.42Å; L235-C239 PolarHBondContact O-N 3.03Å |
| 236 | A | 96.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I168 L200 N203 M204 P232 S233 H234 C239 L240 | I168-A236 HydrophobicContact CD1-CB 3.95Å; I168-A236 HydrophobicContact CG1-CB 4.48Å; L200-A236 HydrophobicContact CB-CB 4.43Å; L200-A236 HydrophobicContact CD2-CB 4.26Å; L200-A236 WeakPolarHBondContact O-CB 3.37Å; N203-A236 HydrophobicContact CB-CB 3.85Å; M204-A236 HydrophobicContact CG-CB 3.64Å; P232-A236 VanDerWaalsContact O-CB 3.23Å; P232-A236 WeakPolarHBondContact O-CB 3.45Å; P232-A236 PolarHBondContact O-N 2.95Å; S233-A236 PolarHBondContact O-N 3.19Å; H234-A236 VanDerWaalsContact C-N 3.3Å; H234-A236 PolarHBondContact O-N 3.1Å; A236-C239 PolarHBondContact O-N 3.45Å; A236-L240 WeakPolarHBondContact O-CB 3.35Å; A236-L240 PolarHBondContact O-N 3.34Å |
| 237 | D | 95.3 | Very high | 87 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | 173.6 | -178 | 69.7 | 0 | 0 | 0 | 111.1 | M204 S233 H234 C239 L240 R241 | M204-D237 HydrophobicContact CE-CB 3.97Å; M204-D237 WeakPolarHBondContact CE-OD1 3.43Å; M204-D237 HydrophobicContact CG-CB 4.49Å; M204-D237 HydrophobicContact SD-CB 4.47Å; S233-D237 PolarHBondContact O-N 3.24Å; H234-D237 PolarHBondContact O-N 2.89Å; D237-C239 VanDerWaalsContact C-N 3.29Å; D237-C239 PolarHBondContact O-N 3.24Å; D237-L240 PolarHBondContact O-N 3.33Å; D237-L240 VanDerWaalsContact O-N 3.16Å; D237-R241 VanDerWaalsContact O-CG 3.29Å; D237-R241 WeakPolarHBondContact O-CG 3.33Å; D237-R241 PolarHBondContact O-N 2.94Å; D237-R241 IonicContact OD1-NE 2.8Å; D237-R241 PolarHBondContact OD1-NE 3.46Å; D237-R241 IonicContact OD1-NH2 2.63Å; D237-R241 IonicContact OD2-CZ 3.54Å; D237-R241 IonicContact OD2-NE 3.92Å; D237-R241 PolarHBondContact OD2-NE 2.57Å; D237-R241 IonicContact OD2-NH2 3.9Å |
| 238 | S | 94.6 | Very high | 88.8 | Confident | 46 Ų | 46 | 42.8 Ų | 42.8 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | H234 E242 | H234-S238 WeakPolarHBondContact O-CB 3.33Å; H234-S238 PolarHBondContact O-N 3.18Å; S238-E242 WeakPolarHBondContact O-CB 3.37Å; S238-E242 PolarHBondContact O-N 3.3Å |
| 239 | C | 95.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -39.8 | 177.4 | -172.5 | 0 | 0 | 0 | 0 | 112.2 | I168 R172 L200 L235 A236 D237 E242 L243 | I168-C239 HydrophobicContact CG2-CB 3.98Å; R172-C239 HydrophobicContact CB-CB 4.47Å; L200-C239 HydrophobicContact CD1-CB 4.31Å; L200-C239 HydrophobicContact CD2-CB 3.87Å; L235-C239 WeakPolarHBondContact O-CB 3.42Å; L235-C239 PolarHBondContact O-N 3.03Å; A236-C239 PolarHBondContact O-N 3.45Å; D237-C239 VanDerWaalsContact C-N 3.29Å; D237-C239 PolarHBondContact O-N 3.24Å; C239-E242 PolarHBondContact O-N 3.42Å; C239-L243 VanDerWaalsContact O-CB 3.32Å; C239-L243 WeakPolarHBondContact O-CB 3.39Å; C239-L243 PolarHBondContact O-N 3.42Å |
| 240 | L | 96.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 176.8 | -177.5 | 66.1 | 0 | 0 | 0 | 110.5 | L200 L201 M204 A236 D237 L243 I244 V278 | L200-L240 HydrophobicContact CD1-CB 4.1Å; L200-L240 HydrophobicContact CD1-CD1 4.22Å; L201-L240 HydrophobicContact CD2-CD2 4.05Å; M204-L240 HydrophobicContact CE-CD2 4.17Å; M204-L240 HydrophobicContact SD-CB 4.41Å; M204-L240 HydrophobicContact SD-CD2 3.81Å; A236-L240 WeakPolarHBondContact O-CB 3.35Å; A236-L240 PolarHBondContact O-N 3.34Å; D237-L240 PolarHBondContact O-N 3.33Å; D237-L240 VanDerWaalsContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.15Å; L240-I244 HydrophobicContact CD1-CD1 3.82Å; L240-I244 HydrophobicContact CD1-CG1 4.37Å; L240-I244 HydrophobicContact CG-CD1 3.78Å; L240-I244 WeakPolarHBondContact O-CB 3.34Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 3.46Å; L240-V278 HydrophobicContact CD2-CG1 4.3Å |
| 241 | R | 95.4 | Very high | 91.7 | Very high | 89 Ų | 89 | 37.5 Ų | 37.5 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.1 | -65.7 | 175.8 | 178.7 | -82.6 | -1.1 | 112 | D237 I244 G245 A281 S285 | D237-R241 VanDerWaalsContact O-CG 3.29Å; D237-R241 WeakPolarHBondContact O-CG 3.33Å; D237-R241 PolarHBondContact O-N 2.94Å; D237-R241 IonicContact OD1-NE 2.8Å; D237-R241 PolarHBondContact OD1-NE 3.46Å; D237-R241 IonicContact OD1-NH2 2.63Å; D237-R241 IonicContact OD2-CZ 3.54Å; D237-R241 IonicContact OD2-NE 3.92Å; D237-R241 PolarHBondContact OD2-NE 2.57Å; D237-R241 IonicContact OD2-NH2 3.9Å; R241-I244 PolarHBondContact O-N 2.97Å; R241-G245 PolarHBondContact O-N 2.9Å; R241-A281 HydrophobicContact CG-CB 4.47Å; R241-S285 WeakPolarHBondContact CA-OG 3.5Å; R241-S285 WeakPolarHBondContact CB-OG 3.38Å; R241-S285 VanDerWaalsContact CG-OG 3.3Å; R241-S285 WeakPolarHBondContact CG-OG 3.44Å |
| 242 | E | 93.2 | Very high | 91.6 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -40 | 177.6 | -171.7 | 177.8 | 154 | 0 | 0 | 112 | R172 R176 S238 C239 K246 | R172-E242 IonicContact CZ-OE2 2.65Å; R172-E242 IonicContact NE-OE2 2.79Å; R172-E242 PolarHBondContact NE-OE2 3.02Å; R172-E242 IonicContact NH2-OE2 3.5Å; R172-E242 PolarHBondContact NH2-OE2 3.25Å; R176-E242 WeakPolarHBondContact CG-OE1 3.09Å; R176-E242 IonicContact CZ-OE1 3.14Å; R176-E242 IonicContact CZ-OE2 3.38Å; R176-E242 IonicContact NE-OE1 3.84Å; R176-E242 PolarHBondContact NE-OE1 3.27Å; R176-E242 IonicContact NE-OE2 2.73Å; R176-E242 IonicContact NH2-OE1 2.7Å; R176-E242 IonicContact NH2-OE2 3.43Å; R176-E242 PolarHBondContact NH2-OE2 3.32Å; S238-E242 WeakPolarHBondContact O-CB 3.37Å; S238-E242 PolarHBondContact O-N 3.3Å; C239-E242 PolarHBondContact O-N 3.42Å; E242-K246 WeakPolarHBondContact O-CG 3.24Å; E242-K246 PolarHBondContact O-N 3.38Å; E242-K246 IonicContact OE1-NZ 3.78Å; E242-K246 PolarHBondContact OE1-NZ 3.33Å |
| 243 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -53.9 | 175.3 | 173.8 | 63.4 | 0 | 0 | 0 | 110.3 | V175 W188 M193 I196 V197 C239 L240 G245 K246 A247 | V175-L243 HydrophobicContact CG1-CB 4.29Å; V175-L243 HydrophobicContact CG1-CD1 3.78Å; V175-L243 HydrophobicContact CG2-CD1 3.93Å; W188-L243 HydrophobicContact CH2-CD1 3.63Å; W188-L243 HydrophobicContact CH2-CG 4.14Å; W188-L243 WeakPolarHBondContact CH2-O 3.45Å; W188-L243 HydrophobicContact CZ2-CD1 4.26Å; W188-L243 HydrophobicContact CZ3-CD1 3.93Å; W188-L243 HydrophobicContact CZ3-CG 4.29Å; M193-L243 HydrophobicContact CE-CD1 3.94Å; M193-L243 HydrophobicContact CE-CD2 4.35Å; M193-L243 HydrophobicContact SD-CD2 4.15Å; I196-L243 HydrophobicContact CG2-CD2 3.99Å; V197-L243 HydrophobicContact CG2-CD2 4.15Å; C239-L243 VanDerWaalsContact O-CB 3.32Å; C239-L243 WeakPolarHBondContact O-CB 3.39Å; C239-L243 PolarHBondContact O-N 3.42Å; L240-L243 PolarHBondContact O-N 3.15Å; L243-G245 VanDerWaalsContact C-N 3.34Å; L243-G245 PolarHBondContact O-N 3.36Å; L243-K246 PolarHBondContact O-N 2.99Å; L243-K246 VanDerWaalsContact O-N 3.14Å; L243-A247 PolarHBondContact O-N 3.5Å |
| 244 | I | 92.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -37.2 | -176.3 | -66.1 | 168.7 | 0 | 0 | 0 | 111.6 | L240 R241 K246 A247 I282 V286 | L240-I244 HydrophobicContact CD1-CD1 3.82Å; L240-I244 HydrophobicContact CD1-CG1 4.37Å; L240-I244 HydrophobicContact CG-CD1 3.78Å; L240-I244 WeakPolarHBondContact O-CB 3.34Å; L240-I244 VanDerWaalsContact O-CG1 3.27Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 3.46Å; R241-I244 PolarHBondContact O-N 2.97Å; I244-K246 PolarHBondContact O-N 3.02Å; I244-K246 VanDerWaalsContact O-N 3.15Å; I244-A247 VanDerWaalsContact O-CB 3.3Å; I244-A247 WeakPolarHBondContact O-CB 3.37Å; I244-A247 PolarHBondContact O-N 3.2Å; I244-I282 HydrophobicContact CD1-CB 4Å; I244-I282 HydrophobicContact CD1-CG1 3.51Å; I244-I282 HydrophobicContact CD1-CG2 4.16Å; I244-V286 HydrophobicContact CG2-CB 4.36Å; I244-V286 HydrophobicContact CG2-CG2 3.37Å |
| 245 | G | 91 | Very high | 91.3 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -20.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R241 L243 S285 | R241-G245 PolarHBondContact O-N 2.9Å; L243-G245 VanDerWaalsContact C-N 3.34Å; L243-G245 PolarHBondContact O-N 3.36Å; G245-S285 VanDerWaalsContact CA-O 3.29Å; G245-S285 WeakPolarHBondContact CA-O 3.43Å |
| 246 | K | 88.5 | Confident | 91.3 | Very high | 70 Ų | 70 | 33.3 Ų | 33.3 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.3 | 174.8 | -67.2 | -177.7 | -179.3 | -177.9 | 0 | 113.7 | A179 E242 L243 I244 S248 | A179-K246 HydrophobicContact CB-CB 4.02Å; A179-K246 HydrophobicContact CB-CD 3.83Å; E242-K246 WeakPolarHBondContact O-CG 3.24Å; E242-K246 PolarHBondContact O-N 3.38Å; E242-K246 IonicContact OE1-NZ 3.78Å; E242-K246 PolarHBondContact OE1-NZ 3.33Å; L243-K246 PolarHBondContact O-N 2.99Å; L243-K246 VanDerWaalsContact O-N 3.14Å; I244-K246 PolarHBondContact O-N 3.02Å; I244-K246 VanDerWaalsContact O-N 3.15Å; K246-S248 PolarHBondContact O-N 3Å |
| 247 | A | 88.2 | Confident | 91.3 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | trans | -70.6 | 127 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W188 L243 I244 I252 | W188-A247 HydrophobicContact CH2-CB 3.41Å; W188-A247 VanDerWaalsContact CH2-CB 3.41Å; W188-A247 HydrophobicContact CZ2-CB 3.94Å; W188-A247 HydrophobicContact CZ3-CB 3.9Å; L243-A247 PolarHBondContact O-N 3.5Å; I244-A247 VanDerWaalsContact O-CB 3.3Å; I244-A247 WeakPolarHBondContact O-CB 3.37Å; I244-A247 PolarHBondContact O-N 3.2Å; A247-I252 HydrophobicContact CB-CB 4.48Å; A247-I252 HydrophobicContact CB-CG1 3.67Å | ||
| 248 | S | 86.5 | Confident | 91.3 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | trans | -76.1 | 163.6 | 165.6 | 69.5 | 0 | 0 | 0 | 0 | 110.8 | K246 G250 N251 I252 | K246-S248 PolarHBondContact O-N 3Å; S248-G250 VanDerWaalsContact C-N 3.26Å; S248-G250 PolarHBondContact O-N 3.49Å; S248-G250 VanDerWaalsContact O-N 3.12Å; S248-N251 PolarHBondContact O-N 3.31Å; S248-N251 PolarHBondContact OG-ND2 2.95Å; S248-I252 WeakPolarHBondContact O-CG1 3.49Å; S248-I252 PolarHBondContact O-N 3.23Å | ||
| 249 | F | 84.7 | Confident | 91.4 | Very high | 83 Ų | 83 | 33.1 Ų | 33.1 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -46.6 | -45.9 | -179.2 | 174.9 | -105 | 0 | 0 | 0 | 113.9 | N251 Y290 Y292 V293 | F249-N251 VanDerWaalsContact C-N 3.28Å; F249-N251 PolarHBondContact O-N 2.87Å; F249-Y290 HydrophobicContact CB-CD1 4.13Å; F249-Y290 HydrophobicContact CB-CE1 3.82Å; F249-Y290 HydrophobicContact CB-CE2 4.28Å; F249-Y290 HydrophobicContact CB-CG 4.49Å; F249-Y290 AromaticContact CD2-CD1 3.62Å; F249-Y290 HydrophobicContact CD2-CD1 3.62Å; F249-Y290 AromaticContact CD2-CE1 4Å; F249-Y290 HydrophobicContact CD2-CE1 4Å; F249-Y290 HydrophobicContact CD2-CG 4.2Å; F249-Y290 HydrophobicContact CG-CD1 4.28Å; F249-Y290 HydrophobicContact CG-CE1 4.23Å; F249-Y292 VanDerWaalsContact CE2-OH 3.27Å; F249-Y292 WeakPolarHBondContact CE2-OH 3.24Å; F249-V293 HydrophobicContact CD2-CG2 4.03Å; F249-V293 HydrophobicContact CE2-CG2 3.57Å |
| 250 | G | 82.9 | Confident | 91.4 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 54% | 0.536 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -69 | -23.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S248 | S248-G250 VanDerWaalsContact C-N 3.26Å; S248-G250 PolarHBondContact O-N 3.49Å; S248-G250 VanDerWaalsContact O-N 3.12Å |
| 251 | N | 87.6 | Confident | 91.4 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -100.6 | -18.6 | -173.3 | -71.1 | -27.7 | 0 | 0 | 0 | 113.8 | W188 S248 F249 R253 N254 | W188-N251 HydrophobicContact CB-CB 4.07Å; W188-N251 HydrophobicContact CD2-CB 3.62Å; W188-N251 HydrophobicContact CE3-CB 3.98Å; W188-N251 HydrophobicContact CG-CB 3.64Å; W188-N251 VanDerWaalsContact CG-CG 3.47Å; S248-N251 PolarHBondContact O-N 3.31Å; S248-N251 PolarHBondContact OG-ND2 2.95Å; F249-N251 VanDerWaalsContact C-N 3.28Å; F249-N251 PolarHBondContact O-N 2.87Å; N251-R253 PolarHBondContact O-N 2.99Å; N251-N254 WeakPolarHBondContact O-CB 3.35Å; N251-N254 PolarHBondContact O-N 2.96Å |
| 252 | I | 88.7 | Confident | 91.4 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -51.6 | -45.4 | 178.8 | -70.6 | 163.3 | 0 | 0 | 0 | 111 | A247 S248 N254 A255 L256 V286 Y290 V293 | A247-I252 HydrophobicContact CB-CB 4.48Å; A247-I252 HydrophobicContact CB-CG1 3.67Å; S248-I252 WeakPolarHBondContact O-CG1 3.49Å; S248-I252 PolarHBondContact O-N 3.23Å; I252-N254 PolarHBondContact O-N 3.3Å; I252-A255 PolarHBondContact O-N 3.35Å; I252-L256 HydrophobicContact CG2-CD1 3.68Å; I252-L256 HydrophobicContact CG2-CG 3.98Å; I252-L256 WeakPolarHBondContact O-CG 3.45Å; I252-L256 PolarHBondContact O-N 3.05Å; I252-L256 VanDerWaalsContact O-N 3.11Å; I252-V286 HydrophobicContact CD1-CG1 3.89Å; I252-V286 HydrophobicContact CG2-CG2 4.38Å; I252-Y290 HydrophobicContact CD1-CD2 3.76Å; I252-Y290 HydrophobicContact CD1-CG 3.9Å; I252-V293 HydrophobicContact CG2-CG1 4.29Å |
| 253 | R | 91.5 | Very high | 91.5 | Very high | 83 Ų | 83 | 30.7 Ų | 30.7 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60 | -31.1 | -179.9 | -71.2 | -173.6 | 177.8 | 134.4 | -2.7 | 113.1 | N251 A255 L256 Y257 V293 | N251-R253 PolarHBondContact O-N 2.99Å; R253-A255 PolarHBondContact O-N 3.43Å; R253-L256 PolarHBondContact O-N 3.36Å; R253-Y257 HydrophobicContact CB-CD2 4.14Å; R253-Y257 HydrophobicContact CB-CE2 3.85Å; R253-Y257 HydrophobicContact CG-CE2 4.37Å; R253-Y257 WeakPolarHBondContact O-CD2 3.42Å; R253-Y257 PolarHBondContact O-N 3.49Å; R253-V293 HydrophobicContact CG-CG1 4.06Å |
| 254 | N | 90.7 | Very high | 91.6 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 31% | 0.305 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.3 | -20.4 | 179.5 | -59.7 | -25.2 | 0 | 0 | 0 | 112.7 | W188 M193 N251 I252 P258 | W188-N254 HydrophobicContact CB-CB 4.39Å; W188-N254 VanDerWaalsContact O-CB 3.26Å; W188-N254 WeakPolarHBondContact O-CB 3.06Å; W188-N254 PolarHBondContact O-ND2 3.42Å; M193-N254 VanDerWaalsContact CB-O 3.3Å; M193-N254 WeakPolarHBondContact CB-O 3.47Å; M193-N254 HydrophobicContact CG-CB 4.4Å; N251-N254 WeakPolarHBondContact O-CB 3.35Å; N251-N254 PolarHBondContact O-N 2.96Å; I252-N254 PolarHBondContact O-N 3.3Å; N254-P258 WeakPolarHBondContact O-CD 3.37Å; N254-P258 WeakPolarHBondContact O-CG 3.32Å |
| 255 | A | 89.9 | Confident | 91.6 | Very high | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -91.5 | -33.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | W188 V197 I252 R253 A259 | W188-A255 HydrophobicContact CZ3-CB 4.16Å; V197-A255 HydrophobicContact CG2-CB 4.32Å; I252-A255 PolarHBondContact O-N 3.35Å; R253-A255 PolarHBondContact O-N 3.43Å; A255-A259 PolarHBondContact O-N 3.16Å |
| 256 | L | 94.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -44.8 | -179 | -68.5 | -176.6 | 0 | 0 | 0 | 113.3 | I252 R253 A259 A260 I282 V294 M297 | I252-L256 HydrophobicContact CG2-CD1 3.68Å; I252-L256 HydrophobicContact CG2-CG 3.98Å; I252-L256 WeakPolarHBondContact O-CG 3.45Å; I252-L256 PolarHBondContact O-N 3.05Å; I252-L256 VanDerWaalsContact O-N 3.11Å; R253-L256 PolarHBondContact O-N 3.36Å; L256-A259 WeakPolarHBondContact O-CB 3.24Å; L256-A259 PolarHBondContact O-N 3.18Å; L256-A260 PolarHBondContact O-N 3.24Å; L256-I282 HydrophobicContact CD2-CD1 4.23Å; L256-I282 HydrophobicContact CD2-CG2 3.38Å; L256-V294 HydrophobicContact CD1-CG2 4.26Å; L256-M297 HydrophobicContact CB-CE 4.03Å; L256-M297 HydrophobicContact CB-CG 4.02Å; L256-M297 HydrophobicContact CB-SD 4.35Å; L256-M297 HydrophobicContact CD1-CB 4.04Å; L256-M297 HydrophobicContact CD1-CE 4.31Å; L256-M297 HydrophobicContact CD1-CG 4.11Å; L256-M297 HydrophobicContact CD2-CE 4.45Å; L256-M297 HydrophobicContact CG-CE 4.5Å |
| 257 | Y | 95.3 | Very high | 91.9 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -46 | -177.9 | -72.3 | -56.4 | 0 | 0 | 0 | 112.9 | R253 A259 A260 T261 M297 | R253-Y257 HydrophobicContact CB-CD2 4.14Å; R253-Y257 HydrophobicContact CB-CE2 3.85Å; R253-Y257 HydrophobicContact CG-CE2 4.37Å; R253-Y257 WeakPolarHBondContact O-CD2 3.42Å; R253-Y257 PolarHBondContact O-N 3.49Å; Y257-A259 PolarHBondContact O-N 3.37Å; Y257-A260 PolarHBondContact O-N 3.43Å; Y257-T261 WeakPolarHBondContact O-CB 3.31Å; Y257-T261 PolarHBondContact O-N 2.68Å; Y257-T261 PolarHBondContact O-OG1 3Å; Y257-T261 VanDerWaalsContact O-OG1 3.05Å; Y257-M297 HydrophobicContact CD1-CG 4.29Å; Y257-M297 HydrophobicContact CD1-SD 4.46Å; Y257-M297 HydrophobicContact CE1-CG 3.93Å; Y257-M297 HydrophobicContact CE1-SD 4.48Å |
| 258 | P | 96.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.045 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -31.7 | 175.3 | -26.1 | 37.6 | 0 | 0 | 0 | 113.1 | M193 D194 V197 N254 H262 | M193-P258 HydrophobicContact CB-CG 4.08Å; D194-P258 WeakPolarHBondContact OD1-CG 3.25Å; V197-P258 HydrophobicContact CB-CB 4.06Å; V197-P258 HydrophobicContact CG1-CB 4.28Å; N254-P258 WeakPolarHBondContact O-CD 3.37Å; N254-P258 WeakPolarHBondContact O-CG 3.32Å; P258-H262 WeakPolarHBondContact O-CB 3.26Å; P258-H262 PolarHBondContact O-N 3.48Å |
| 259 | A | 96.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -54.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V197 L201 A255 L256 Y257 T261 H262 F263 I282 | V197-A259 HydrophobicContact CG1-CB 3.82Å; L201-A259 HydrophobicContact CD1-CB 3.93Å; A255-A259 PolarHBondContact O-N 3.16Å; L256-A259 WeakPolarHBondContact O-CB 3.24Å; L256-A259 PolarHBondContact O-N 3.18Å; Y257-A259 PolarHBondContact O-N 3.37Å; A259-T261 VanDerWaalsContact C-N 3.34Å; A259-T261 PolarHBondContact O-N 3.48Å; A259-H262 WeakPolarHBondContact O-CB 3.44Å; A259-H262 PolarHBondContact O-N 3.45Å; A259-H262 VanDerWaalsContact O-N 3.1Å; A259-F263 WeakPolarHBondContact O-CD2 3.11Å; A259-F263 PolarHBondContact O-N 3.11Å; A259-F263 VanDerWaalsContact O-N 3.13Å; A259-I282 HydrophobicContact CB-CD1 4.4Å |
| 260 | A | 96 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L256 Y257 H262 F263 D264 M297 | L256-A260 PolarHBondContact O-N 3.24Å; Y257-A260 PolarHBondContact O-N 3.43Å; A260-H262 VanDerWaalsContact C-N 3.3Å; A260-H262 PolarHBondContact O-N 3.35Å; A260-F263 WeakPolarHBondContact O-CA 3.42Å; A260-F263 WeakPolarHBondContact O-CB 3.45Å; A260-F263 PolarHBondContact O-N 3.23Å; A260-D264 PolarHBondContact O-N 3.26Å; A260-M297 HydrophobicContact CB-SD 4.34Å |
| 261 | T | 95.5 | Very high | 93.1 | Very high | 69 Ų | 69 | 45 Ų | 45 | 42% | 0.423 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60 | -37 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | Y257 A259 F263 D264 L265 | Y257-T261 WeakPolarHBondContact O-CB 3.31Å; Y257-T261 PolarHBondContact O-N 2.68Å; Y257-T261 PolarHBondContact O-OG1 3Å; Y257-T261 VanDerWaalsContact O-OG1 3.05Å; A259-T261 VanDerWaalsContact C-N 3.34Å; A259-T261 PolarHBondContact O-N 3.48Å; T261-F263 VanDerWaalsContact C-N 3.35Å; T261-D264 PolarHBondContact O-N 3.23Å; T261-L265 HydrophobicContact CG2-CD1 3.9Å; T261-L265 HydrophobicContact CG2-CG 4.23Å; T261-L265 WeakPolarHBondContact O-CB 3.44Å; T261-L265 VanDerWaalsContact O-CG 3.27Å; T261-L265 WeakPolarHBondContact O-CG 3.34Å; T261-L265 PolarHBondContact O-N 3.41Å |
| 262 | H | 95.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 173.4 | 175.3 | -82.5 | 0 | 0 | 0 | 111.7 | L201 P258 A259 A260 D264 H266 | L201-H262 HydrophobicContact CD1-CB 3.96Å; P258-H262 WeakPolarHBondContact O-CB 3.26Å; P258-H262 PolarHBondContact O-N 3.48Å; A259-H262 WeakPolarHBondContact O-CB 3.44Å; A259-H262 PolarHBondContact O-N 3.45Å; A259-H262 VanDerWaalsContact O-N 3.1Å; A260-H262 VanDerWaalsContact C-N 3.3Å; A260-H262 PolarHBondContact O-N 3.35Å; H262-D264 VanDerWaalsContact C-N 3.35Å; H262-H266 AromaticContact CD2-CD2 3.4Å; H262-H266 PolarHBondContact CD2-CD2 3.37Å; H262-H266 AromaticContact CD2-NE2 3.74Å; H262-H266 AromaticContact CE1-CD2 3.74Å; H262-H266 AromaticContact CG-CD2 3.83Å; H262-H266 AromaticContact NE2-CD2 3.38Å; H262-H266 PolarHBondContact NE2-CD2 3.49Å; H262-H266 AromaticContact NE2-NE2 3.77Å; H262-H266 WeakPolarHBondContact O-CB 3.38Å; H262-H266 PolarHBondContact O-CD2 3.24Å; H262-H266 VanDerWaalsContact O-CD2 3.25Å; H262-H266 PolarHBondContact O-N 3.01Å; H262-H266 VanDerWaalsContact O-N 3.15Å |
| 263 | F | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.3 | -77.2 | -85 | 0 | 0 | 0 | 112.4 | L201 A259 A260 T261 H267 L268 W269 F274 A275 V278 F279 | L201-F263 HydrophobicContact CD1-CE2 4.11Å; A259-F263 WeakPolarHBondContact O-CD2 3.11Å; A259-F263 PolarHBondContact O-N 3.11Å; A259-F263 VanDerWaalsContact O-N 3.13Å; A260-F263 WeakPolarHBondContact O-CA 3.42Å; A260-F263 WeakPolarHBondContact O-CB 3.45Å; A260-F263 PolarHBondContact O-N 3.23Å; T261-F263 VanDerWaalsContact C-N 3.35Å; F263-H267 PolarHBondContact O-N 2.91Å; F263-H267 VanDerWaalsContact O-N 3.08Å; F263-L268 HydrophobicContact CB-CB 4.48Å; F263-L268 HydrophobicContact CD1-CB 3.33Å; F263-L268 HydrophobicContact CD1-CD1 4.45Å; F263-L268 HydrophobicContact CE1-CB 3.82Å; F263-L268 HydrophobicContact CG-CB 4.26Å; F263-L268 PolarHBondContact O-N 3.2Å; F263-W269 HydrophobicContact CB-CD2 4Å; F263-W269 VanDerWaalsContact CB-CE2 3.42Å; F263-W269 HydrophobicContact CB-CG 4.35Å; F263-W269 HydrophobicContact CB-CH2 4.46Å; F263-W269 HydrophobicContact CB-CZ2 3.69Å; F263-W269 HydrophobicContact CG-CZ2 4.33Å; F263-F274 AromaticContact CE1-CD1 3.62Å; F263-F274 HydrophobicContact CE1-CD1 3.62Å; F263-F274 HydrophobicContact CE1-CE1 4.02Å; F263-F274 HydrophobicContact CE1-CG 4.47Å; F263-F274 AromaticContact CZ-CD1 3.94Å; F263-F274 HydrophobicContact CZ-CD1 3.94Å; F263-F274 AromaticContact CZ-CE1 3.93Å; F263-F274 HydrophobicContact CZ-CE1 3.93Å; F263-A275 HydrophobicContact CD1-CB 3.8Å; F263-A275 HydrophobicContact CE1-CB 3.52Å; F263-A275 HydrophobicContact CZ-CB 4.13Å; F263-V278 HydrophobicContact CE2-CB 4.26Å; F263-V278 HydrophobicContact CE2-CG1 3.97Å; F263-V278 HydrophobicContact CZ-CB 3.89Å; F263-V278 HydrophobicContact CZ-CG1 4.11Å; F263-V278 HydrophobicContact CZ-CG2 3.95Å; F263-F279 HydrophobicContact CD2-CE2 4.07Å; F263-F279 HydrophobicContact CE2-CE2 4.04Å |
| 264 | D | 95 | Very high | 93.6 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -50.1 | 177 | -53.2 | -30.4 | 0 | 0 | 0 | 111.4 | A260 T261 H262 H266 H267 W269 H301 H305 | A260-D264 PolarHBondContact O-N 3.26Å; T261-D264 PolarHBondContact O-N 3.23Å; H262-D264 VanDerWaalsContact C-N 3.35Å; D264-H266 VanDerWaalsContact C-N 3.3Å; D264-H266 PolarHBondContact O-N 3.39Å; D264-H267 PolarHBondContact O-N 3.16Å; D264-W269 PolarHBondContact OD1-NE1 2.97Å; D264-H301 IonicContact OD1-CE1 3.04Å; D264-H301 PolarHBondContact OD1-CE1 3.43Å; D264-H301 IonicContact OD1-NE2 2.99Å; D264-H301 PolarHBondContact OD1-NE2 3.31Å; D264-H301 IonicContact OD2-CE1 2.83Å; D264-H301 PolarHBondContact OD2-CE1 2.82Å; D264-H301 IonicContact OD2-NE2 2.64Å; D264-H301 PolarHBondContact OD2-NE2 3.36Å; D264-H305 IonicContact OD1-CE1 3.25Å; D264-H305 IonicContact OD1-NE2 3.04Å; D264-H305 PolarHBondContact OD1-NE2 3.24Å; D264-H305 IonicContact OD2-NE2 3.91Å |
| 265 | L | 94 | Very high | 93.9 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 65% | 0.654 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.2 | -28.6 | -175.9 | -70.7 | 175.2 | 0 | 0 | 0 | 113.5 | T261 | T261-L265 HydrophobicContact CG2-CD1 3.9Å; T261-L265 HydrophobicContact CG2-CG 4.23Å; T261-L265 WeakPolarHBondContact O-CB 3.44Å; T261-L265 VanDerWaalsContact O-CG 3.27Å; T261-L265 WeakPolarHBondContact O-CG 3.34Å; T261-L265 PolarHBondContact O-N 3.41Å |
| 266 | H | 92.2 | Very high | 94.1 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 7.5 | -178.5 | -66.2 | -66.8 | 0 | 0 | 0 | 113.4 | H262 D264 L268 | H262-H266 AromaticContact CD2-CD2 3.4Å; H262-H266 PolarHBondContact CD2-CD2 3.37Å; H262-H266 AromaticContact CD2-NE2 3.74Å; H262-H266 AromaticContact CE1-CD2 3.74Å; H262-H266 AromaticContact CG-CD2 3.83Å; H262-H266 AromaticContact NE2-CD2 3.38Å; H262-H266 PolarHBondContact NE2-CD2 3.49Å; H262-H266 AromaticContact NE2-NE2 3.77Å; H262-H266 WeakPolarHBondContact O-CB 3.38Å; H262-H266 PolarHBondContact O-CD2 3.24Å; H262-H266 VanDerWaalsContact O-CD2 3.25Å; H262-H266 PolarHBondContact O-N 3.01Å; H262-H266 VanDerWaalsContact O-N 3.15Å; D264-H266 VanDerWaalsContact C-N 3.3Å; D264-H266 PolarHBondContact O-N 3.39Å; H266-L268 HydrophobicContact CB-CD1 3.71Å; H266-L268 HydrophobicContact CB-CG 3.67Å; H266-L268 PolarHBondContact O-N 3.2Å |
| 267 | H | 92.7 | Very high | 94.1 | Very high | 153 Ų | 153 | 49.2 Ų | 49.2 | 71% | 0.708 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37.8 | -178.7 | -53.6 | -65 | 0 | 0 | 0 | 113.5 | F263 D264 W269 | F263-H267 PolarHBondContact O-N 2.91Å; F263-H267 VanDerWaalsContact O-N 3.08Å; D264-H267 PolarHBondContact O-N 3.16Å; H267-W269 VanDerWaalsContact C-N 3.31Å; H267-W269 PolarHBondContact O-N 3.5Å |
| 268 | L | 93.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.9 | -172.8 | -65.9 | 174.9 | 0 | 0 | 0 | 113.7 | F263 H266 T270 F274 | F263-L268 HydrophobicContact CB-CB 4.48Å; F263-L268 HydrophobicContact CD1-CB 3.33Å; F263-L268 HydrophobicContact CD1-CD1 4.45Å; F263-L268 HydrophobicContact CE1-CB 3.82Å; F263-L268 HydrophobicContact CG-CB 4.26Å; F263-L268 PolarHBondContact O-N 3.2Å; H266-L268 HydrophobicContact CB-CD1 3.71Å; H266-L268 HydrophobicContact CB-CG 3.67Å; H266-L268 PolarHBondContact O-N 3.2Å; L268-T270 VanDerWaalsContact C-N 3.31Å; L268-F274 HydrophobicContact CD1-CD1 4.15Å; L268-F274 HydrophobicContact CD1-CE1 4.14Å |
| 269 | W | 94.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -21.9 | 171.5 | -64.1 | 111.3 | 0 | 0 | 0 | 112.5 | F263 D264 H267 P271 P272 A275 F279 L298 H301 V312 G315 I316 V319 | F263-W269 HydrophobicContact CB-CD2 4Å; F263-W269 VanDerWaalsContact CB-CE2 3.42Å; F263-W269 HydrophobicContact CB-CG 4.35Å; F263-W269 HydrophobicContact CB-CH2 4.46Å; F263-W269 HydrophobicContact CB-CZ2 3.69Å; F263-W269 HydrophobicContact CG-CZ2 4.33Å; D264-W269 PolarHBondContact OD1-NE1 2.97Å; H267-W269 VanDerWaalsContact C-N 3.31Å; H267-W269 PolarHBondContact O-N 3.5Å; W269-P271 CarbonylContact O-C 3.33Å; W269-P272 VanDerWaalsContact O-CA 3.24Å; W269-P272 WeakPolarHBondContact O-CA 3.36Å; W269-P272 WeakPolarHBondContact O-CB 3.39Å; W269-P272 VanDerWaalsContact O-N 3.14Å; W269-A275 HydrophobicContact CE3-CB 3.97Å; W269-A275 HydrophobicContact CZ3-CB 4.14Å; W269-F279 AromaticContact CH2-CE2 3.64Å; W269-F279 HydrophobicContact CH2-CE2 3.64Å; W269-F279 HydrophobicContact CH2-CZ 4.08Å; W269-F279 HydrophobicContact CZ3-CE2 4.02Å; W269-L298 HydrophobicContact CH2-CD2 4.19Å; W269-H301 AromaticContact CZ2-CD2 3.64Å; W269-H301 AromaticContact CZ2-NE2 3.71Å; W269-V312 HydrophobicContact CB-CG1 4.41Å; W269-V312 HydrophobicContact CG-CG1 4.49Å; W269-G315 WeakPolarHBondContact O-CA 3.28Å; W269-I316 HydrophobicContact CD2-CD1 4.4Å; W269-I316 HydrophobicContact CD2-CG1 3.49Å; W269-I316 VanDerWaalsContact CD2-CG1 3.49Å; W269-I316 HydrophobicContact CE3-CB 4.25Å; W269-I316 HydrophobicContact CE3-CG1 3.57Å; W269-I316 HydrophobicContact CG-CG1 3.96Å; W269-I316 HydrophobicContact CH2-CG1 4.16Å; W269-I316 HydrophobicContact CZ2-CG1 4.09Å; W269-I316 HydrophobicContact CZ3-CB 4.34Å; W269-I316 HydrophobicContact CZ3-CG1 3.91Å; W269-V319 HydrophobicContact CE3-CG2 4.28Å; W269-V319 HydrophobicContact CZ3-CB 4.31Å; W269-V319 HydrophobicContact CZ3-CG2 3.99Å |
| 270 | T | 90.7 | Very high | 94.1 | Very high | 63 Ų | 63 | 47 Ų | 47 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -127.7 | 111.3 | -177.1 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | L268 | L268-T270 VanDerWaalsContact C-N 3.31Š|
| 271 | P | 89.7 | Confident | 93.9 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | S | Bend | cis | -73.9 | 151.8 | -4.2 | 31.4 | -35.1 | 0 | 0 | 0 | 112.4 | W269 K273 | W269-P271 CarbonylContact O-C 3.33Å; P271-K273 PolarHBondContact O-N 3.36Å |
| 272 | P | 91.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 2.2 | -173.2 | 28.7 | -35.5 | 0 | 0 | 0 | 114.7 | W269 F274 A275 I276 T318 V319 | W269-P272 VanDerWaalsContact O-CA 3.24Å; W269-P272 WeakPolarHBondContact O-CA 3.36Å; W269-P272 WeakPolarHBondContact O-CB 3.39Å; W269-P272 VanDerWaalsContact O-N 3.14Å; P272-F274 PolarHBondContact O-N 3.32Å; P272-A275 PolarHBondContact O-N 3.34Å; P272-I276 HydrophobicContact CB-CD1 4.26Å; P272-I276 HydrophobicContact CB-CG1 4.47Å; P272-I276 HydrophobicContact CG-CD1 4.47Å; P272-I276 VanDerWaalsContact O-CG1 3.24Å; P272-I276 WeakPolarHBondContact O-CG1 3.42Å; P272-I276 PolarHBondContact O-N 3.26Å; P272-T318 HydrophobicContact CB-CG2 4.46Å; P272-T318 HydrophobicContact CG-CG2 4.07Å; P272-V319 HydrophobicContact CB-CG2 4.39Å |
| 273 | K | 92.4 | Very high | 93.7 | Very high | 135 Ų | 135 | 43.8 Ų | 43.8 | 59% | 0.587 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -57.2 | -46.6 | -172.2 | -66.5 | -177.5 | -179.5 | 178 | 0 | 113.2 | P271 S277 | P271-K273 PolarHBondContact O-N 3.36Å; K273-S277 PolarHBondContact O-N 3.09Å |
| 274 | F | 94.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72 | -38.2 | 179.1 | 180 | -121.4 | 0 | 0 | 0 | 111.7 | M204 H205 V208 F263 L268 P272 I276 S277 V278 | M204-F274 HydrophobicContact CB-CE2 3.9Å; M204-F274 HydrophobicContact CB-CZ 3.93Å; H205-F274 HydrophobicContact CB-CD1 4.25Å; H205-F274 HydrophobicContact CB-CE1 3.66Å; H205-F274 HydrophobicContact CB-CE2 4.14Å; H205-F274 HydrophobicContact CB-CZ 3.6Å; H205-F274 AromaticContact CG-CE1 3.98Å; H205-F274 AromaticContact ND1-CD1 3.34Å; H205-F274 VanDerWaalsContact ND1-CD1 3.34Å; H205-F274 WeakPolarHBondContact ND1-CD1 3.48Å; H205-F274 AromaticContact ND1-CE1 3.7Å; H205-F274 AromaticContact ND1-CG 3.55Å; V208-F274 HydrophobicContact CG2-CD2 3.86Å; V208-F274 HydrophobicContact CG2-CE2 4.45Å; F263-F274 AromaticContact CE1-CD1 3.62Å; F263-F274 HydrophobicContact CE1-CD1 3.62Å; F263-F274 HydrophobicContact CE1-CE1 4.02Å; F263-F274 HydrophobicContact CE1-CG 4.47Å; F263-F274 AromaticContact CZ-CD1 3.94Å; F263-F274 HydrophobicContact CZ-CD1 3.94Å; F263-F274 AromaticContact CZ-CE1 3.93Å; F263-F274 HydrophobicContact CZ-CE1 3.93Å; L268-F274 HydrophobicContact CD1-CD1 4.15Å; L268-F274 HydrophobicContact CD1-CE1 4.14Å; P272-F274 PolarHBondContact O-N 3.32Å; F274-I276 VanDerWaalsContact C-N 3.32Å; F274-I276 PolarHBondContact O-N 3.06Å; F274-S277 PolarHBondContact O-N 2.86Å; F274-S277 PolarHBondContact O-OG 2.75Å; F274-V278 HydrophobicContact CD2-CG2 4.12Å; F274-V278 HydrophobicContact CE1-CG2 4.13Å; F274-V278 HydrophobicContact CE2-CG2 3.62Å; F274-V278 HydrophobicContact CZ-CG2 3.62Å; F274-V278 WeakPolarHBondContact O-CG2 3.33Å; F274-V278 PolarHBondContact O-N 3.44Å; F274-V278 VanDerWaalsContact O-N 3.07Å |
| 275 | A | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F263 W269 P272 S277 V278 F279 V319 | F263-A275 HydrophobicContact CD1-CB 3.8Å; F263-A275 HydrophobicContact CE1-CB 3.52Å; F263-A275 HydrophobicContact CZ-CB 4.13Å; W269-A275 HydrophobicContact CE3-CB 3.97Å; W269-A275 HydrophobicContact CZ3-CB 4.14Å; P272-A275 PolarHBondContact O-N 3.34Å; A275-S277 PolarHBondContact O-N 3.12Å; A275-V278 PolarHBondContact O-N 2.95Å; A275-F279 WeakPolarHBondContact O-CB 3.43Å; A275-F279 VanDerWaalsContact O-CD2 3.27Å; A275-F279 WeakPolarHBondContact O-CD2 3.27Å; A275-F279 PolarHBondContact O-N 3.23Å; A275-V319 HydrophobicContact CB-CG2 3.61Å |
| 276 | I | 95.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -53.1 | 174.6 | -68.5 | 163.5 | 0 | 0 | 0 | 110.3 | P272 F274 V278 F279 E280 T318 V319 R322 | P272-I276 HydrophobicContact CB-CD1 4.26Å; P272-I276 HydrophobicContact CB-CG1 4.47Å; P272-I276 HydrophobicContact CG-CD1 4.47Å; P272-I276 VanDerWaalsContact O-CG1 3.24Å; P272-I276 WeakPolarHBondContact O-CG1 3.42Å; P272-I276 PolarHBondContact O-N 3.26Å; F274-I276 VanDerWaalsContact C-N 3.32Å; F274-I276 PolarHBondContact O-N 3.06Å; I276-V278 VanDerWaalsContact C-N 3.3Å; I276-V278 PolarHBondContact O-N 3.29Å; I276-F279 PolarHBondContact O-N 3.29Å; I276-E280 HydrophobicContact CG2-CG 4.1Å; I276-E280 WeakPolarHBondContact O-CB 3.36Å; I276-E280 VanDerWaalsContact O-CG 3.25Å; I276-E280 WeakPolarHBondContact O-CG 3.43Å; I276-E280 PolarHBondContact O-N 2.89Å; I276-T318 HydrophobicContact CD1-CG2 4.05Å; I276-V319 HydrophobicContact CG1-CG2 3.97Å; I276-R322 HydrophobicContact CG2-CG 3.92Å |
| 277 | S | 94.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 43.4 Ų | 43.4 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -38.8 | -175.9 | 81.9 | 0 | 0 | 0 | 0 | 112.8 | K273 F274 A275 A281 | K273-S277 PolarHBondContact O-N 3.09Å; F274-S277 PolarHBondContact O-N 2.86Å; F274-S277 PolarHBondContact O-OG 2.75Å; A275-S277 PolarHBondContact O-N 3.12Å; S277-A281 WeakPolarHBondContact O-CB 2.83Å; S277-A281 PolarHBondContact O-N 2.77Å |
| 278 | V | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -49.1 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L201 M204 L240 F263 F274 A275 I276 E280 A281 I282 | L201-V278 HydrophobicContact CD2-CB 4.36Å; L201-V278 HydrophobicContact CD2-CG1 3.48Å; L201-V278 VanDerWaalsContact CD2-CG1 3.48Å; L201-V278 HydrophobicContact CD2-CG2 3.88Å; M204-V278 HydrophobicContact CE-CG2 3.94Å; L240-V278 HydrophobicContact CD2-CG1 4.3Å; F263-V278 HydrophobicContact CE2-CB 4.26Å; F263-V278 HydrophobicContact CE2-CG1 3.97Å; F263-V278 HydrophobicContact CZ-CB 3.89Å; F263-V278 HydrophobicContact CZ-CG1 4.11Å; F263-V278 HydrophobicContact CZ-CG2 3.95Å; F274-V278 HydrophobicContact CD2-CG2 4.12Å; F274-V278 HydrophobicContact CE1-CG2 4.13Å; F274-V278 HydrophobicContact CE2-CG2 3.62Å; F274-V278 HydrophobicContact CZ-CG2 3.62Å; F274-V278 WeakPolarHBondContact O-CG2 3.33Å; F274-V278 PolarHBondContact O-N 3.44Å; F274-V278 VanDerWaalsContact O-N 3.07Å; A275-V278 PolarHBondContact O-N 2.95Å; I276-V278 VanDerWaalsContact C-N 3.3Å; I276-V278 PolarHBondContact O-N 3.29Å; V278-E280 VanDerWaalsContact C-N 3.3Å; V278-E280 PolarHBondContact O-N 3.45Å; V278-A281 WeakPolarHBondContact O-CB 3.4Å; V278-A281 PolarHBondContact O-N 3.14Å; V278-A281 VanDerWaalsContact O-N 3.14Å; V278-I282 HydrophobicContact CG1-CD1 3.88Å; V278-I282 HydrophobicContact CG1-CG1 4.42Å; V278-I282 VanDerWaalsContact O-CG1 3.23Å; V278-I282 WeakPolarHBondContact O-CG1 3.49Å; V278-I282 PolarHBondContact O-N 2.93Å |
| 279 | F | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.1 | -27.5 | -179.4 | -80.3 | -77.5 | 0 | 0 | 0 | 112.9 | F263 W269 A275 I276 I282 V283 V294 M297 L298 V319 I323 | F263-F279 HydrophobicContact CD2-CE2 4.07Å; F263-F279 HydrophobicContact CE2-CE2 4.04Å; W269-F279 AromaticContact CH2-CE2 3.64Å; W269-F279 HydrophobicContact CH2-CE2 3.64Å; W269-F279 HydrophobicContact CH2-CZ 4.08Å; W269-F279 HydrophobicContact CZ3-CE2 4.02Å; A275-F279 WeakPolarHBondContact O-CB 3.43Å; A275-F279 VanDerWaalsContact O-CD2 3.27Å; A275-F279 WeakPolarHBondContact O-CD2 3.27Å; A275-F279 PolarHBondContact O-N 3.23Å; I276-F279 PolarHBondContact O-N 3.29Å; F279-I282 HydrophobicContact CD1-CD1 3.71Å; F279-I282 HydrophobicContact CE1-CD1 3.89Å; F279-I282 HydrophobicContact CG-CD1 4.23Å; F279-I282 PolarHBondContact O-N 3.32Å; F279-V283 PolarHBondContact O-N 2.95Å; F279-V294 HydrophobicContact CD1-CG1 4.36Å; F279-M297 HydrophobicContact CE1-CE 3.58Å; F279-M297 HydrophobicContact CZ-CE 4.13Å; F279-L298 HydrophobicContact CD1-CD1 4.18Å; F279-L298 HydrophobicContact CD1-CD2 4.04Å; F279-L298 HydrophobicContact CD1-CG 4.35Å; F279-L298 HydrophobicContact CD2-CD2 4.45Å; F279-L298 HydrophobicContact CE1-CD2 3.73Å; F279-L298 HydrophobicContact CE1-CG 4.27Å; F279-L298 HydrophobicContact CE2-CD2 4.16Å; F279-L298 HydrophobicContact CG-CD2 4.4Å; F279-L298 HydrophobicContact CZ-CD2 3.79Å; F279-V319 HydrophobicContact CB-CG1 3.64Å; F279-V319 HydrophobicContact CD2-CG1 3.66Å; F279-V319 HydrophobicContact CG-CG1 3.74Å; F279-I323 VanDerWaalsContact C-CD1 3.44Å; F279-I323 HydrophobicContact CB-CD1 3.81Å; F279-I323 HydrophobicContact CB-CG1 4.03Å; F279-I323 WeakPolarHBondContact O-CD1 3.32Å |
| 280 | E | 94.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 166.6 | -73.9 | -171 | 159.3 | 0 | 0 | 110.6 | I276 V278 I282 V283 Y284 R322 I323 I326 | I276-E280 HydrophobicContact CG2-CG 4.1Å; I276-E280 WeakPolarHBondContact O-CB 3.36Å; I276-E280 VanDerWaalsContact O-CG 3.25Å; I276-E280 WeakPolarHBondContact O-CG 3.43Å; I276-E280 PolarHBondContact O-N 2.89Å; V278-E280 VanDerWaalsContact C-N 3.3Å; V278-E280 PolarHBondContact O-N 3.45Å; E280-I282 PolarHBondContact O-N 3.21Å; E280-V283 PolarHBondContact O-N 3.48Å; E280-Y284 HydrophobicContact CB-CD2 4.35Å; E280-Y284 HydrophobicContact CB-CE2 4.26Å; E280-Y284 WeakPolarHBondContact O-CB 3.12Å; E280-Y284 WeakPolarHBondContact O-CD2 3.45Å; E280-Y284 PolarHBondContact O-N 3.01Å; E280-R322 HydrophobicContact CG-CG 4.42Å; E280-R322 WeakPolarHBondContact OE1-CG 3.46Å; E280-R322 IonicContact OE1-CZ 3.16Å; E280-R322 IonicContact OE1-NE 3.61Å; E280-R322 PolarHBondContact OE1-NE 3.06Å; E280-R322 IonicContact OE1-NH2 2.78Å; E280-R322 PolarHBondContact OE1-NH2 3.47Å; E280-R322 VanDerWaalsContact OE1-NH2 3.14Å; E280-I323 HydrophobicContact CG-CD1 4.33Å; E280-I326 HydrophobicContact CB-CD1 4.42Å; E280-I326 HydrophobicContact CG-CD1 3.55Å |
| 281 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R241 S277 V278 S285 | R241-A281 HydrophobicContact CG-CB 4.47Å; S277-A281 WeakPolarHBondContact O-CB 2.83Å; S277-A281 PolarHBondContact O-N 2.77Å; V278-A281 WeakPolarHBondContact O-CB 3.4Å; V278-A281 PolarHBondContact O-N 3.14Å; V278-A281 VanDerWaalsContact O-N 3.14Å; A281-S285 WeakPolarHBondContact O-CB 3.48Å; A281-S285 PolarHBondContact O-N 3.3Å; A281-S285 PolarHBondContact O-OG 2.89Å |
| 282 | I | 94.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -56.5 | 174.2 | -67.7 | 169.2 | 0 | 0 | 0 | 110.4 | I244 L256 A259 V278 F279 E280 Y284 S285 V286 V294 | I244-I282 HydrophobicContact CD1-CB 4Å; I244-I282 HydrophobicContact CD1-CG1 3.51Å; I244-I282 HydrophobicContact CD1-CG2 4.16Å; L256-I282 HydrophobicContact CD2-CD1 4.23Å; L256-I282 HydrophobicContact CD2-CG2 3.38Å; A259-I282 HydrophobicContact CB-CD1 4.4Å; V278-I282 HydrophobicContact CG1-CD1 3.88Å; V278-I282 HydrophobicContact CG1-CG1 4.42Å; V278-I282 VanDerWaalsContact O-CG1 3.23Å; V278-I282 WeakPolarHBondContact O-CG1 3.49Å; V278-I282 PolarHBondContact O-N 2.93Å; F279-I282 HydrophobicContact CD1-CD1 3.71Å; F279-I282 HydrophobicContact CE1-CD1 3.89Å; F279-I282 HydrophobicContact CG-CD1 4.23Å; F279-I282 PolarHBondContact O-N 3.32Å; E280-I282 PolarHBondContact O-N 3.21Å; I282-Y284 VanDerWaalsContact C-N 3.3Å; I282-Y284 PolarHBondContact O-N 3.37Å; I282-S285 PolarHBondContact O-N 3.5Å; I282-V286 HydrophobicContact CG2-CG2 4.35Å; I282-V286 WeakPolarHBondContact O-CG2 3.24Å; I282-V286 PolarHBondContact O-N 3.16Å; I282-V294 HydrophobicContact CG2-CG1 4.34Å; I282-V294 HydrophobicContact CG2-CG2 4.24Å |
| 283 | V | 92.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.067 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -33.4 | -172.7 | 85.1 | 0 | 0 | 0 | 0 | 112.5 | F279 E280 S285 V294 I323 I326 A327 | F279-V283 PolarHBondContact O-N 2.95Å; E280-V283 PolarHBondContact O-N 3.48Å; V283-S285 VanDerWaalsContact C-N 3.26Å; V283-S285 PolarHBondContact O-N 3Å; V283-V294 HydrophobicContact CG2-CG2 4.5Å; V283-I323 HydrophobicContact CB-CD1 4.36Å; V283-I323 HydrophobicContact CB-CG2 4.3Å; V283-I323 HydrophobicContact CG1-CD1 4.11Å; V283-I323 HydrophobicContact CG2-CG2 3.96Å; V283-I326 HydrophobicContact CG1-CB 4.17Å; V283-I326 HydrophobicContact CG1-CD1 4.47Å; V283-I326 HydrophobicContact CG1-CG2 3.56Å; V283-A327 HydrophobicContact CG2-CB 4.16Å |
| 284 | Y | 92.6 | Very high | 91.6 | Very high | 143 Ų | 143 | 33.7 Ų | 33.7 | 56% | 0.561 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -71.6 | -19.5 | 173.8 | -75.4 | -59.2 | 0 | 0 | 0 | 113.7 | E280 I282 I326 | E280-Y284 HydrophobicContact CB-CD2 4.35Å; E280-Y284 HydrophobicContact CB-CE2 4.26Å; E280-Y284 WeakPolarHBondContact O-CB 3.12Å; E280-Y284 WeakPolarHBondContact O-CD2 3.45Å; E280-Y284 PolarHBondContact O-N 3.01Å; I282-Y284 VanDerWaalsContact C-N 3.3Å; I282-Y284 PolarHBondContact O-N 3.37Å; Y284-I326 HydrophobicContact CD1-CG2 4.31Å; Y284-I326 HydrophobicContact CE1-CG2 3.66Å; Y284-I326 HydrophobicContact CE2-CD1 4.27Å; Y284-I326 HydrophobicContact CE2-CG2 4.22Å |
| 285 | S | 93.1 | Very high | 91.4 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -96.3 | -25.3 | -178.7 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | R241 G245 A281 I282 V283 | R241-S285 WeakPolarHBondContact CA-OG 3.5Å; R241-S285 WeakPolarHBondContact CB-OG 3.38Å; R241-S285 VanDerWaalsContact CG-OG 3.3Å; R241-S285 WeakPolarHBondContact CG-OG 3.44Å; G245-S285 VanDerWaalsContact CA-O 3.29Å; G245-S285 WeakPolarHBondContact CA-O 3.43Å; A281-S285 WeakPolarHBondContact O-CB 3.48Å; A281-S285 PolarHBondContact O-N 3.3Å; A281-S285 PolarHBondContact O-OG 2.89Å; I282-S285 PolarHBondContact O-N 3.5Å; V283-S285 VanDerWaalsContact C-N 3.26Å; V283-S285 PolarHBondContact O-N 3Å |
| 286 | V | 91.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -68.5 | 141.8 | 173.5 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | I244 I252 I282 S288 V294 | I244-V286 HydrophobicContact CG2-CB 4.36Å; I244-V286 HydrophobicContact CG2-CG2 3.37Å; I252-V286 HydrophobicContact CD1-CG1 3.89Å; I252-V286 HydrophobicContact CG2-CG2 4.38Å; I282-V286 HydrophobicContact CG2-CG2 4.35Å; I282-V286 WeakPolarHBondContact O-CG2 3.24Å; I282-V286 PolarHBondContact O-N 3.16Å; V286-S288 PolarHBondContact O-N 3.35Å; V286-V294 HydrophobicContact CG2-CG2 4.12Å |
| 287 | Q | 87.3 | Confident | 91.1 | Very high | 87 Ų | 87 | 33.2 Ų | 33.2 | 41% | 0.407 | 17% | 0.166 | S | C | . | . | trans | -57.5 | 134.2 | 172 | -61.5 | 179 | 5.3 | 0 | 0 | 110 | Q289 Y290 | Q287-Q289 HydrophobicContact CB-CG 4.25Å; Q287-Q289 PolarHBondContact O-N 2.84Å; Q287-Y290 HydrophobicContact CB-CD2 3.89Å; Q287-Y290 HydrophobicContact CB-CE2 4.24Å; Q287-Y290 PolarHBondContact O-N 3.16Å | ||
| 288 | S | 84.2 | Confident | 91.1 | Very high | 84 Ų | 84 | 30.7 Ų | 30.7 | 59% | 0.587 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -48.8 | -43.1 | -170.9 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | V286 Y290 S291 A330 | V286-S288 PolarHBondContact O-N 3.35Å; S288-Y290 PolarHBondContact O-N 2.87Å; S288-Y290 VanDerWaalsContact O-N 3.12Å; S288-S291 VanDerWaalsContact O-CB 3.25Å; S288-S291 WeakPolarHBondContact O-CB 3.34Å; S288-S291 PolarHBondContact O-N 2.84Å; S288-S291 PolarHBondContact O-OG 3.29Å; S288-A330 WeakPolarHBondContact O-CB 3.31Å |
| 289 | Q | 84.4 | Confident | 90.9 | Very high | 110 Ų | 110 | 30.9 Ų | 30.9 | 51% | 0.514 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -59.2 | -19.5 | 177.4 | 64.4 | -159.5 | 12.8 | 0 | 0 | 115.5 | Q287 Y292 | Q287-Q289 HydrophobicContact CB-CG 4.25Å; Q287-Q289 PolarHBondContact O-N 2.84Å; Q289-Y292 WeakPolarHBondContact O-CD1 3.37Å; Q289-Y292 WeakPolarHBondContact O-CE1 3.35Å |
| 290 | Y | 85.5 | Confident | 90.8 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -108.3 | 4.2 | 178.2 | -50.3 | -43.4 | 0 | 0 | 0 | 112.9 | F249 I252 Q287 S288 Y292 V293 | F249-Y290 HydrophobicContact CB-CD1 4.13Å; F249-Y290 HydrophobicContact CB-CE1 3.82Å; F249-Y290 HydrophobicContact CB-CE2 4.28Å; F249-Y290 HydrophobicContact CB-CG 4.49Å; F249-Y290 AromaticContact CD2-CD1 3.62Å; F249-Y290 HydrophobicContact CD2-CD1 3.62Å; F249-Y290 AromaticContact CD2-CE1 4Å; F249-Y290 HydrophobicContact CD2-CE1 4Å; F249-Y290 HydrophobicContact CD2-CG 4.2Å; F249-Y290 HydrophobicContact CG-CD1 4.28Å; F249-Y290 HydrophobicContact CG-CE1 4.23Å; I252-Y290 HydrophobicContact CD1-CD2 3.76Å; I252-Y290 HydrophobicContact CD1-CG 3.9Å; Q287-Y290 HydrophobicContact CB-CD2 3.89Å; Q287-Y290 HydrophobicContact CB-CE2 4.24Å; Q287-Y290 PolarHBondContact O-N 3.16Å; S288-Y290 PolarHBondContact O-N 2.87Å; S288-Y290 VanDerWaalsContact O-N 3.12Å; Y290-Y292 PolarHBondContact O-N 3.05Å; Y290-V293 VanDerWaalsContact O-CB 3.24Å; Y290-V293 WeakPolarHBondContact O-CB 3.48Å; Y290-V293 WeakPolarHBondContact O-CG2 3.24Å; Y290-V293 PolarHBondContact O-N 3.16Å |
| 291 | S | 88 | Confident | 90.8 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.8 | -34.8 | -178.8 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | S288 V293 V294 A330 | S288-S291 VanDerWaalsContact O-CB 3.25Å; S288-S291 WeakPolarHBondContact O-CB 3.34Å; S288-S291 PolarHBondContact O-N 2.84Å; S288-S291 PolarHBondContact O-OG 3.29Å; S291-V293 PolarHBondContact O-N 3.25Å; S291-V293 VanDerWaalsContact O-N 3.16Å; S291-V294 WeakPolarHBondContact O-CB 3.39Å; S291-V294 PolarHBondContact O-N 3.2Å; S291-A330 PolarHBondContact OG-O 3.17Å |
| 292 | Y | 87.8 | Confident | 90.9 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.153 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -25.4 | 176.4 | 78.5 | -88.3 | 0 | 0 | 0 | 113.3 | F249 Q289 Y290 V294 I295 Q296 | F249-Y292 VanDerWaalsContact CE2-OH 3.27Å; F249-Y292 WeakPolarHBondContact CE2-OH 3.24Å; Q289-Y292 WeakPolarHBondContact O-CD1 3.37Å; Q289-Y292 WeakPolarHBondContact O-CE1 3.35Å; Y290-Y292 PolarHBondContact O-N 3.05Å; Y292-V294 VanDerWaalsContact C-N 3.26Å; Y292-V294 PolarHBondContact O-N 3.24Å; Y292-I295 PolarHBondContact O-N 3.06Å; Y292-Q296 PolarHBondContact O-N 2.88Å |
| 293 | V | 89.8 | Confident | 90.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -34.1 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | F249 I252 R253 Y290 S291 M297 | F249-V293 HydrophobicContact CD2-CG2 4.03Å; F249-V293 HydrophobicContact CE2-CG2 3.57Å; I252-V293 HydrophobicContact CG2-CG1 4.29Å; R253-V293 HydrophobicContact CG-CG1 4.06Å; Y290-V293 VanDerWaalsContact O-CB 3.24Å; Y290-V293 WeakPolarHBondContact O-CB 3.48Å; Y290-V293 WeakPolarHBondContact O-CG2 3.24Å; Y290-V293 PolarHBondContact O-N 3.16Å; S291-V293 PolarHBondContact O-N 3.25Å; S291-V293 VanDerWaalsContact O-N 3.16Å; V293-M297 VanDerWaalsContact O-CB 3.3Å; V293-M297 WeakPolarHBondContact O-CB 3.31Å; V293-M297 PolarHBondContact O-N 3.4Å |
| 294 | V | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.7 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | L256 F279 I282 V283 V286 S291 Y292 M297 L298 I323 | L256-V294 HydrophobicContact CD1-CG2 4.26Å; F279-V294 HydrophobicContact CD1-CG1 4.36Å; I282-V294 HydrophobicContact CG2-CG1 4.34Å; I282-V294 HydrophobicContact CG2-CG2 4.24Å; V283-V294 HydrophobicContact CG2-CG2 4.5Å; V286-V294 HydrophobicContact CG2-CG2 4.12Å; S291-V294 WeakPolarHBondContact O-CB 3.39Å; S291-V294 PolarHBondContact O-N 3.2Å; Y292-V294 VanDerWaalsContact C-N 3.26Å; Y292-V294 PolarHBondContact O-N 3.24Å; V294-M297 PolarHBondContact O-N 3.3Å; V294-L298 HydrophobicContact CG1-CD1 4.25Å; V294-L298 WeakPolarHBondContact O-CB 3.38Å; V294-L298 WeakPolarHBondContact O-CG 3.49Å; V294-L298 PolarHBondContact O-N 2.93Å; V294-I323 HydrophobicContact CG1-CG2 4.11Å |
| 295 | I | 91.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 176.3 | -57.1 | 175.6 | 0 | 0 | 0 | 110.3 | Y292 M297 L298 N299 L320 I323 V324 A327 I339 | Y292-I295 PolarHBondContact O-N 3.06Å; I295-M297 PolarHBondContact O-N 2.63Å; I295-L298 PolarHBondContact O-N 3.25Å; I295-N299 VanDerWaalsContact O-CB 3.32Å; I295-N299 WeakPolarHBondContact O-CB 3.35Å; I295-N299 PolarHBondContact O-N 3.5Å; I295-L320 HydrophobicContact CG2-CD1 3.76Å; I295-I323 HydrophobicContact CG1-CG2 4.12Å; I295-V324 HydrophobicContact CD1-CG2 4.24Å; I295-V324 HydrophobicContact CG1-CG2 4.45Å; I295-V324 HydrophobicContact CG2-CG2 4Å; I295-A327 HydrophobicContact CD1-CB 3.96Å; I295-A327 HydrophobicContact CG1-CB 4.49Å; I295-I339 HydrophobicContact CG2-CD1 3.97Å; I295-I339 HydrophobicContact CG2-CG2 4.45Å |
| 296 | Q | 91.3 | Very high | 90 | Very high | 34 Ų | 34 | 33 Ų | 33 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 178.6 | -174.3 | -179.1 | 17.9 | 0 | 0 | 111.1 | Y292 L298 N299 D300 | Y292-Q296 PolarHBondContact O-N 2.88Å; Q296-L298 PolarHBondContact O-N 3.45Å; Q296-N299 PolarHBondContact O-N 3.1Å; Q296-D300 WeakPolarHBondContact O-CB 3.35Å; Q296-D300 PolarHBondContact O-N 3.48Å |
| 297 | M | 92.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 179.2 | -175.2 | -71.4 | -55.4 | 0 | 0 | 111.7 | L256 Y257 A260 F279 V293 V294 I295 N299 D300 H301 | L256-M297 HydrophobicContact CB-CE 4.03Å; L256-M297 HydrophobicContact CB-CG 4.02Å; L256-M297 HydrophobicContact CB-SD 4.35Å; L256-M297 HydrophobicContact CD1-CB 4.04Å; L256-M297 HydrophobicContact CD1-CE 4.31Å; L256-M297 HydrophobicContact CD1-CG 4.11Å; L256-M297 HydrophobicContact CD2-CE 4.45Å; L256-M297 HydrophobicContact CG-CE 4.5Å; Y257-M297 HydrophobicContact CD1-CG 4.29Å; Y257-M297 HydrophobicContact CD1-SD 4.46Å; Y257-M297 HydrophobicContact CE1-CG 3.93Å; Y257-M297 HydrophobicContact CE1-SD 4.48Å; A260-M297 HydrophobicContact CB-SD 4.34Å; F279-M297 HydrophobicContact CE1-CE 3.58Å; F279-M297 HydrophobicContact CZ-CE 4.13Å; V293-M297 VanDerWaalsContact O-CB 3.3Å; V293-M297 WeakPolarHBondContact O-CB 3.31Å; V293-M297 PolarHBondContact O-N 3.4Å; V294-M297 PolarHBondContact O-N 3.3Å; I295-M297 PolarHBondContact O-N 2.63Å; M297-N299 VanDerWaalsContact C-N 3.32Å; M297-N299 PolarHBondContact O-N 3.28Å; M297-D300 PolarHBondContact O-N 3.42Å; M297-H301 VanDerWaalsContact O-CB 3.32Å; M297-H301 WeakPolarHBondContact O-CB 3.19Å; M297-H301 PolarHBondContact O-N 2.96Å; M297-H301 HydrophobicContact SD-CB 4.41Å |
| 298 | L | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 177.1 | -77.3 | 171.9 | 0 | 0 | 0 | 112 | W269 F279 V294 I295 Q296 H301 L302 V319 L320 I323 | W269-L298 HydrophobicContact CH2-CD2 4.19Å; F279-L298 HydrophobicContact CD1-CD1 4.18Å; F279-L298 HydrophobicContact CD1-CD2 4.04Å; F279-L298 HydrophobicContact CD1-CG 4.35Å; F279-L298 HydrophobicContact CD2-CD2 4.45Å; F279-L298 HydrophobicContact CE1-CD2 3.73Å; F279-L298 HydrophobicContact CE1-CG 4.27Å; F279-L298 HydrophobicContact CE2-CD2 4.16Å; F279-L298 HydrophobicContact CG-CD2 4.4Å; F279-L298 HydrophobicContact CZ-CD2 3.79Å; V294-L298 HydrophobicContact CG1-CD1 4.25Å; V294-L298 WeakPolarHBondContact O-CB 3.38Å; V294-L298 WeakPolarHBondContact O-CG 3.49Å; V294-L298 PolarHBondContact O-N 2.93Å; I295-L298 PolarHBondContact O-N 3.25Å; Q296-L298 PolarHBondContact O-N 3.45Å; L298-H301 PolarHBondContact O-N 3.5Å; L298-L302 WeakPolarHBondContact O-CB 3.4Å; L298-L302 PolarHBondContact O-N 3.47Å; L298-V319 HydrophobicContact CD1-CG1 4Å; L298-V319 HydrophobicContact CD2-CG1 4.22Å; L298-L320 HydrophobicContact CB-CD1 3.91Å; L298-I323 HydrophobicContact CD1-CB 4.18Å; L298-I323 HydrophobicContact CD1-CG1 3.84Å; L298-I323 HydrophobicContact CD1-CG2 4.4Å |
| 299 | N | 93.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.1 | 175.8 | 77.6 | 0 | 0 | 0 | 112.2 | I295 Q296 M297 H301 L302 G303 L320 S342 | I295-N299 VanDerWaalsContact O-CB 3.32Å; I295-N299 WeakPolarHBondContact O-CB 3.35Å; I295-N299 PolarHBondContact O-N 3.5Å; Q296-N299 PolarHBondContact O-N 3.1Å; M297-N299 VanDerWaalsContact C-N 3.32Å; M297-N299 PolarHBondContact O-N 3.28Å; N299-H301 VanDerWaalsContact C-N 3.31Å; N299-L302 PolarHBondContact O-N 3.17Å; N299-G303 PolarHBondContact O-N 3.14Å; N299-G303 VanDerWaalsContact O-N 3.07Å; N299-L320 HydrophobicContact CB-CD2 4.36Å; N299-S342 WeakPolarHBondContact ND2-CB 3.21Å; N299-S342 PolarHBondContact ND2-OG 3.45Å; N299-S342 PolarHBondContact OD1-OG 3.34Å |
| 300 | D | 93.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 31.3 Ų | 31.3 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 174.1 | -66.5 | -16.3 | 0 | 0 | 0 | 111.1 | Q296 M297 G303 K304 | Q296-D300 WeakPolarHBondContact O-CB 3.35Å; Q296-D300 PolarHBondContact O-N 3.48Å; M297-D300 PolarHBondContact O-N 3.42Å; D300-G303 PolarHBondContact O-N 3.14Å; D300-K304 PolarHBondContact O-N 2.67Å; D300-K304 VanDerWaalsContact O-N 3.12Å |
| 301 | H | 94.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 175.6 | -163 | 62.5 | 0 | 0 | 0 | 111.3 | D264 W269 M297 L298 N299 G303 K304 H305 | D264-H301 IonicContact OD1-CE1 3.04Å; D264-H301 PolarHBondContact OD1-CE1 3.43Å; D264-H301 IonicContact OD1-NE2 2.99Å; D264-H301 PolarHBondContact OD1-NE2 3.31Å; D264-H301 IonicContact OD2-CE1 2.83Å; D264-H301 PolarHBondContact OD2-CE1 2.82Å; D264-H301 IonicContact OD2-NE2 2.64Å; D264-H301 PolarHBondContact OD2-NE2 3.36Å; W269-H301 AromaticContact CZ2-CD2 3.64Å; W269-H301 AromaticContact CZ2-NE2 3.71Å; M297-H301 VanDerWaalsContact O-CB 3.32Å; M297-H301 WeakPolarHBondContact O-CB 3.19Å; M297-H301 PolarHBondContact O-N 2.96Å; M297-H301 HydrophobicContact SD-CB 4.41Å; L298-H301 PolarHBondContact O-N 3.5Å; N299-H301 VanDerWaalsContact C-N 3.31Å; H301-G303 PolarHBondContact O-N 2.98Å; H301-K304 WeakPolarHBondContact O-CB 3.34Å; H301-K304 PolarHBondContact O-N 3.17Å; H301-H305 AromaticContact CD2-CD2 3.74Å; H301-H305 AromaticContact CE1-CD2 3.5Å; H301-H305 AromaticContact CE1-NE2 3.22Å; H301-H305 PolarHBondContact CE1-NE2 2.76Å; H301-H305 AromaticContact NE2-CD2 3.29Å; H301-H305 PolarHBondContact NE2-CD2 3.09Å; H301-H305 VanDerWaalsContact NE2-CD2 3.29Å; H301-H305 AromaticContact NE2-NE2 3.16Å; H301-H305 PolarHBondContact NE2-NE2 2.7Å; H301-H305 VanDerWaalsContact NE2-NE2 3.16Å; H301-H305 PolarHBondContact O-CD2 2.75Å; H301-H305 PolarHBondContact O-N 3.19Å; H301-H305 VanDerWaalsContact O-N 3.13Å |
| 302 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56 | -37.9 | 172.8 | -177 | 62.5 | 0 | 0 | 0 | 111.5 | L298 N299 K304 H305 G306 R313 I316 A317 H346 Y368 L372 | L298-L302 WeakPolarHBondContact O-CB 3.4Å; L298-L302 PolarHBondContact O-N 3.47Å; N299-L302 PolarHBondContact O-N 3.17Å; L302-K304 PolarHBondContact O-N 2.79Å; L302-H305 CarbonylContact O-C 3.43Å; L302-H305 PolarHBondContact O-N 2.97Å; L302-G306 PolarHBondContact O-N 3.45Å; L302-R313 HydrophobicContact CD1-CB 4.24Å; L302-R313 HydrophobicContact CD1-CG 4.31Å; L302-I316 HydrophobicContact CB-CG2 3.84Å; L302-I316 HydrophobicContact CD1-CB 4.02Å; L302-I316 HydrophobicContact CD1-CG2 3.99Å; L302-I316 HydrophobicContact CG-CG2 4.45Å; L302-A317 HydrophobicContact CD2-CB 4.42Å; L302-H346 VanDerWaalsContact CD2-ND1 3.3Å; L302-H346 WeakPolarHBondContact CD2-ND1 3.37Å; L302-H346 WeakPolarHBondContact CG-ND1 3.35Å; L302-Y368 HydrophobicContact CD1-CE2 4.09Å; L302-Y368 HydrophobicContact CD2-CE2 4.45Å; L302-L372 HydrophobicContact CD2-CD2 3.97Å |
| 303 | G | 91.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 33 Ų | 33 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.3 | -32.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N299 D300 H301 G306 H346 | N299-G303 PolarHBondContact O-N 3.14Å; N299-G303 VanDerWaalsContact O-N 3.07Å; D300-G303 PolarHBondContact O-N 3.14Å; H301-G303 PolarHBondContact O-N 2.98Å; G303-G306 PolarHBondContact O-N 3.41Å; G303-H346 WeakPolarHBondContact CA-NE2 3.47Å; G303-H346 PolarHBondContact N-CE1 3.09Å |
| 304 | K | 90.8 | Very high | 91 | Very high | 133 Ų | 133 | 33.8 Ų | 33.8 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -70.9 | -32.9 | 173.9 | -66.9 | 174.4 | -174.5 | 172.7 | 0 | 112.3 | D300 H301 L302 G306 | D300-K304 PolarHBondContact O-N 2.67Å; D300-K304 VanDerWaalsContact O-N 3.12Å; H301-K304 WeakPolarHBondContact O-CB 3.34Å; H301-K304 PolarHBondContact O-N 3.17Å; L302-K304 PolarHBondContact O-N 2.79Å; K304-G306 VanDerWaalsContact C-N 3.3Å |
| 305 | H | 88.6 | Confident | 91.1 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 12% | 0.116 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 19.6 | 177.3 | -71.5 | -87.5 | 0 | 0 | 0 | 113 | D264 H301 L302 T307 D308 R313 I316 | D264-H305 IonicContact OD1-CE1 3.25Å; D264-H305 IonicContact OD1-NE2 3.04Å; D264-H305 PolarHBondContact OD1-NE2 3.24Å; D264-H305 IonicContact OD2-NE2 3.91Å; H301-H305 AromaticContact CD2-CD2 3.74Å; H301-H305 AromaticContact CE1-CD2 3.5Å; H301-H305 AromaticContact CE1-NE2 3.22Å; H301-H305 PolarHBondContact CE1-NE2 2.76Å; H301-H305 AromaticContact NE2-CD2 3.29Å; H301-H305 PolarHBondContact NE2-CD2 3.09Å; H301-H305 VanDerWaalsContact NE2-CD2 3.29Å; H301-H305 AromaticContact NE2-NE2 3.16Å; H301-H305 PolarHBondContact NE2-NE2 2.7Å; H301-H305 VanDerWaalsContact NE2-NE2 3.16Å; H301-H305 PolarHBondContact O-CD2 2.75Å; H301-H305 PolarHBondContact O-N 3.19Å; H301-H305 VanDerWaalsContact O-N 3.13Å; L302-H305 CarbonylContact O-C 3.43Å; L302-H305 PolarHBondContact O-N 2.97Å; H305-T307 PolarHBondContact O-N 2.8Å; H305-T307 VanDerWaalsContact O-N 3.14Å; H305-D308 HydrophobicContact CB-CB 4.33Å; H305-D308 IonicContact CE1-OD2 2.87Å; H305-D308 IonicContact CG-OD2 3.93Å; H305-D308 IonicContact ND1-OD2 2.77Å; H305-D308 PolarHBondContact ND1-OD2 3.47Å; H305-D308 PolarHBondContact O-N 3.33Å; H305-D308 VanDerWaalsContact O-N 3.14Å; H305-R313 WeakPolarHBondContact O-CD 3.33Å; H305-R313 VanDerWaalsContact O-CG 3.29Å; H305-R313 WeakPolarHBondContact O-CG 3.42Å; H305-I316 HydrophobicContact CB-CD1 3.85Å |
| 306 | G | 83.9 | Confident | 91.4 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L302 G303 K304 Q349 | L302-G306 PolarHBondContact O-N 3.45Å; G303-G306 PolarHBondContact O-N 3.41Å; K304-G306 VanDerWaalsContact C-N 3.3Å; G306-Q349 PolarHBondContact O-NE2 3.49Å |
| 307 | T | 83.5 | Confident | 91.6 | Very high | 124 Ų | 124 | 32.2 Ų | 32.2 | 76% | 0.761 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -2 | 179.1 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | H305 | H305-T307 PolarHBondContact O-N 2.8Å; H305-T307 VanDerWaalsContact O-N 3.14Å |
| 308 | D | 88.1 | Confident | 91.8 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 33% | 0.332 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77.8 | 173.1 | -178.7 | -72.8 | 19.9 | 0 | 0 | 0 | 110.9 | H305 R313 | H305-D308 HydrophobicContact CB-CB 4.33Å; H305-D308 IonicContact CE1-OD2 2.87Å; H305-D308 IonicContact CG-OD2 3.93Å; H305-D308 IonicContact ND1-OD2 2.77Å; H305-D308 PolarHBondContact ND1-OD2 3.47Å; H305-D308 PolarHBondContact O-N 3.33Å; H305-D308 VanDerWaalsContact O-N 3.14Å; D308-R313 PolarHBondContact O-NE 3.41Å; D308-R313 PolarHBondContact O-NH2 3.29Å |
| 309 | S | 88.6 | Confident | 91.9 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 44% | 0.441 | 19% | 0.194 | S | C | . | . | trans | -55.1 | 145.6 | 178.1 | 65.6 | 0 | 0 | 0 | 0 | 111.6 | E311 V312 R313 | S309-E311 PolarHBondContact O-N 3.4Å; S309-V312 PolarHBondContact O-N 3.39Å; S309-V312 VanDerWaalsContact O-N 3.1Å; S309-V312 WeakPolarHBondContact OG-CG2 3.19Å; S309-R313 PolarHBondContact O-N 3.47Å | ||
| 310 | A | 88.6 | Confident | 91.9 | Very high | 6 Ų | 6 | 34 Ų | 34 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.7 | -34.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V312 R313 C314 Q364 | A310-V312 PolarHBondContact O-N 3.43Å; A310-R313 PolarHBondContact O-N 2.83Å; A310-C314 VanDerWaalsContact O-CB 3.31Å; A310-C314 WeakPolarHBondContact O-CB 3.2Å; A310-C314 PolarHBondContact O-N 2.98Å; A310-C314 PolarHBondContact O-SG 2.84Å; A310-Q364 HydrophobicContact CB-CB 3.64Å |
| 311 | E | 90.3 | Very high | 92 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.8 | -63.1 | -177.8 | -178 | 0 | 0 | 113.6 | S309 C314 G315 Q364 | S309-E311 PolarHBondContact O-N 3.4Å; E311-C314 WeakPolarHBondContact O-CB 3.22Å; E311-C314 PolarHBondContact O-N 3.31Å; E311-G315 PolarHBondContact O-N 2.87Å; E311-Q364 PolarHBondContact OE1-NE2 2.85Å |
| 312 | V | 92.5 | Very high | 92 | Very high | 27 Ų | 27 | 37.1 Ų | 37.1 | 16% | 0.164 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 178.5 | 174 | 0 | 0 | 0 | 0 | 110 | W269 S309 A310 C314 G315 I316 | W269-V312 HydrophobicContact CB-CG1 4.41Å; W269-V312 HydrophobicContact CG-CG1 4.49Å; S309-V312 PolarHBondContact O-N 3.39Å; S309-V312 VanDerWaalsContact O-N 3.1Å; S309-V312 WeakPolarHBondContact OG-CG2 3.19Å; A310-V312 PolarHBondContact O-N 3.43Å; V312-C314 PolarHBondContact O-N 3.43Å; V312-G315 PolarHBondContact O-N 3.5Å; V312-G315 VanDerWaalsContact O-N 3.15Å; V312-I316 HydrophobicContact CG1-CD1 4.05Å; V312-I316 WeakPolarHBondContact O-CG1 3.33Å; V312-I316 PolarHBondContact O-N 2.98Å |
| 313 | R | 93.7 | Very high | 91.9 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 175.2 | -74.7 | -172.7 | -80.7 | 130.5 | -8.7 | 112 | L302 H305 D308 S309 A310 I316 A317 E365 Y368 | L302-R313 HydrophobicContact CD1-CB 4.24Å; L302-R313 HydrophobicContact CD1-CG 4.31Å; H305-R313 WeakPolarHBondContact O-CD 3.33Å; H305-R313 VanDerWaalsContact O-CG 3.29Å; H305-R313 WeakPolarHBondContact O-CG 3.42Å; D308-R313 PolarHBondContact O-NE 3.41Å; D308-R313 PolarHBondContact O-NH2 3.29Å; S309-R313 PolarHBondContact O-N 3.47Å; A310-R313 PolarHBondContact O-N 2.83Å; R313-I316 PolarHBondContact O-N 3.27Å; R313-A317 VanDerWaalsContact O-CB 3.24Å; R313-A317 WeakPolarHBondContact O-CB 3.47Å; R313-A317 PolarHBondContact O-N 2.97Å; R313-E365 IonicContact CZ-OE1 3.93Å; R313-E365 VanDerWaalsContact CZ-OE1 3.25Å; R313-E365 IonicContact CZ-OE2 3.77Å; R313-E365 IonicContact NH1-OE1 3.96Å; R313-E365 PolarHBondContact NH1-OE1 3.18Å; R313-E365 IonicContact NH1-OE2 3.89Å; R313-E365 PolarHBondContact NH1-OE2 3.37Å; R313-E365 IonicContact NH2-OE1 3.16Å; R313-E365 PolarHBondContact NH2-OE1 3.23Å; R313-E365 IonicContact NH2-OE2 2.68Å; R313-Y368 HydrophobicContact CB-CD2 3.91Å; R313-Y368 HydrophobicContact CB-CE2 3.66Å |
| 314 | C | 93.7 | Very high | 91.9 | Very high | 16 Ų | 16 | 35.9 Ų | 35.9 | 11% | 0.108 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 172.2 | -79.1 | 0 | 0 | 0 | 0 | 111.9 | A310 E311 V312 A317 T318 Y368 I371 | A310-C314 VanDerWaalsContact O-CB 3.31Å; A310-C314 WeakPolarHBondContact O-CB 3.2Å; A310-C314 PolarHBondContact O-N 2.98Å; A310-C314 PolarHBondContact O-SG 2.84Å; E311-C314 WeakPolarHBondContact O-CB 3.22Å; E311-C314 PolarHBondContact O-N 3.31Å; V312-C314 PolarHBondContact O-N 3.43Å; C314-A317 PolarHBondContact O-N 2.97Å; C314-T318 WeakPolarHBondContact O-CB 3.22Å; C314-T318 PolarHBondContact O-N 3.34Å; C314-T318 PolarHBondContact O-OG1 2.9Å; C314-Y368 VanDerWaalsContact SG-CA 3.52Å; C314-Y368 VanDerWaalsContact SG-CB 3.53Å; C314-I371 HydrophobicContact CB-CD1 4.07Å |
| 315 | G | 94.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.7 | -50.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W269 E311 V312 T318 V319 | W269-G315 WeakPolarHBondContact O-CA 3.28Å; E311-G315 PolarHBondContact O-N 2.87Å; V312-G315 PolarHBondContact O-N 3.5Å; V312-G315 VanDerWaalsContact O-N 3.15Å; G315-T318 PolarHBondContact O-N 3.16Å; G315-V319 WeakPolarHBondContact O-CG2 3.49Å; G315-V319 PolarHBondContact O-N 3.48Å |
| 316 | I | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 177.6 | -61.2 | 164.6 | 0 | 0 | 0 | 111 | W269 L302 H305 V312 R313 T318 V319 L320 | W269-I316 HydrophobicContact CD2-CD1 4.4Å; W269-I316 HydrophobicContact CD2-CG1 3.49Å; W269-I316 VanDerWaalsContact CD2-CG1 3.49Å; W269-I316 HydrophobicContact CE3-CB 4.25Å; W269-I316 HydrophobicContact CE3-CG1 3.57Å; W269-I316 HydrophobicContact CG-CG1 3.96Å; W269-I316 HydrophobicContact CH2-CG1 4.16Å; W269-I316 HydrophobicContact CZ2-CG1 4.09Å; W269-I316 HydrophobicContact CZ3-CB 4.34Å; W269-I316 HydrophobicContact CZ3-CG1 3.91Å; L302-I316 HydrophobicContact CB-CG2 3.84Å; L302-I316 HydrophobicContact CD1-CB 4.02Å; L302-I316 HydrophobicContact CD1-CG2 3.99Å; L302-I316 HydrophobicContact CG-CG2 4.45Å; H305-I316 HydrophobicContact CB-CD1 3.85Å; V312-I316 HydrophobicContact CG1-CD1 4.05Å; V312-I316 WeakPolarHBondContact O-CG1 3.33Å; V312-I316 PolarHBondContact O-N 2.98Å; R313-I316 PolarHBondContact O-N 3.27Å; I316-T318 VanDerWaalsContact C-N 3.3Å; I316-T318 PolarHBondContact O-N 3.39Å; I316-V319 PolarHBondContact O-N 2.96Å; I316-L320 PolarHBondContact O-N 3.09Å |
| 317 | A | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -33.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L302 R313 C314 L320 S321 Y368 I371 L372 | L302-A317 HydrophobicContact CD2-CB 4.42Å; R313-A317 VanDerWaalsContact O-CB 3.24Å; R313-A317 WeakPolarHBondContact O-CB 3.47Å; R313-A317 PolarHBondContact O-N 2.97Å; C314-A317 PolarHBondContact O-N 2.97Å; A317-L320 PolarHBondContact O-N 2.86Å; A317-S321 WeakPolarHBondContact O-CB 3.41Å; A317-S321 PolarHBondContact O-N 2.97Å; A317-Y368 HydrophobicContact CB-CD2 4.15Å; A317-Y368 HydrophobicContact CB-CE2 3.88Å; A317-I371 VanDerWaalsContact C-CG2 3.49Å; A317-I371 HydrophobicContact CB-CB 4.4Å; A317-I371 HydrophobicContact CB-CG2 3.61Å; A317-I371 WeakPolarHBondContact O-CG2 3.26Å; A317-L372 HydrophobicContact CB-CD2 4.03Å |
| 318 | T | 96.6 | Very high | 90.9 | Very high | 42 Ų | 42 | 27.6 Ų | 27.6 | 26% | 0.258 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.1 | -58 | 0 | 0 | 0 | 0 | 110.9 | P272 I276 C314 G315 I316 S321 R322 | P272-T318 HydrophobicContact CB-CG2 4.46Å; P272-T318 HydrophobicContact CG-CG2 4.07Å; I276-T318 HydrophobicContact CD1-CG2 4.05Å; C314-T318 WeakPolarHBondContact O-CB 3.22Å; C314-T318 PolarHBondContact O-N 3.34Å; C314-T318 PolarHBondContact O-OG1 2.9Å; G315-T318 PolarHBondContact O-N 3.16Å; I316-T318 VanDerWaalsContact C-N 3.3Å; I316-T318 PolarHBondContact O-N 3.39Å; T318-S321 WeakPolarHBondContact O-CB 3.47Å; T318-S321 PolarHBondContact O-N 3.24Å; T318-R322 PolarHBondContact O-N 2.96Å; T318-R322 VanDerWaalsContact O-N 3.07Å |
| 319 | V | 96.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | W269 P272 A275 I276 F279 L298 G315 I316 S321 R322 I323 | W269-V319 HydrophobicContact CE3-CG2 4.28Å; W269-V319 HydrophobicContact CZ3-CB 4.31Å; W269-V319 HydrophobicContact CZ3-CG2 3.99Å; P272-V319 HydrophobicContact CB-CG2 4.39Å; A275-V319 HydrophobicContact CB-CG2 3.61Å; I276-V319 HydrophobicContact CG1-CG2 3.97Å; F279-V319 HydrophobicContact CB-CG1 3.64Å; F279-V319 HydrophobicContact CD2-CG1 3.66Å; F279-V319 HydrophobicContact CG-CG1 3.74Å; L298-V319 HydrophobicContact CD1-CG1 4Å; L298-V319 HydrophobicContact CD2-CG1 4.22Å; G315-V319 WeakPolarHBondContact O-CG2 3.49Å; G315-V319 PolarHBondContact O-N 3.48Å; I316-V319 PolarHBondContact O-N 2.96Å; V319-S321 VanDerWaalsContact C-N 3.34Å; V319-S321 PolarHBondContact O-N 3.22Å; V319-R322 PolarHBondContact O-N 3.03Å; V319-R322 VanDerWaalsContact O-N 3.11Å; V319-I323 HydrophobicContact CG1-CG1 4.15Å; V319-I323 VanDerWaalsContact O-CG1 3.31Å; V319-I323 WeakPolarHBondContact O-CG1 3.25Å; V319-I323 PolarHBondContact O-N 3.33Å |
| 320 | L | 95 | Very high | 89 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.7 | -47.6 | 177.4 | -179.5 | 63.5 | 0 | 0 | 0 | 112 | I295 L298 N299 I316 A317 R322 I323 V324 M343 T375 | I295-L320 HydrophobicContact CG2-CD1 3.76Å; L298-L320 HydrophobicContact CB-CD1 3.91Å; N299-L320 HydrophobicContact CB-CD2 4.36Å; I316-L320 PolarHBondContact O-N 3.09Å; A317-L320 PolarHBondContact O-N 2.86Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 3.35Å; L320-I323 PolarHBondContact O-N 3.37Å; L320-V324 HydrophobicContact CD1-CG2 4.22Å; L320-V324 HydrophobicContact CG-CG2 4.43Å; L320-V324 WeakPolarHBondContact O-CB 3.29Å; L320-V324 VanDerWaalsContact O-CG2 3.29Å; L320-V324 WeakPolarHBondContact O-CG2 3.34Å; L320-V324 PolarHBondContact O-N 3.35Å; L320-M343 HydrophobicContact CD2-SD 4.39Å; L320-T375 HydrophobicContact CG-CG2 4.27Å |
| 321 | S | 94.4 | Very high | 87.9 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 16% | 0.161 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.9 | -46.4 | 175.9 | -170 | 0 | 0 | 0 | 0 | 111.7 | A317 T318 V319 V325 T375 | A317-S321 WeakPolarHBondContact O-CB 3.41Å; A317-S321 PolarHBondContact O-N 2.97Å; T318-S321 WeakPolarHBondContact O-CB 3.47Å; T318-S321 PolarHBondContact O-N 3.24Å; V319-S321 VanDerWaalsContact C-N 3.34Å; V319-S321 PolarHBondContact O-N 3.22Å; S321-V325 WeakPolarHBondContact O-CG2 3.49Å; S321-V325 PolarHBondContact O-N 2.98Å; S321-T375 WeakPolarHBondContact CA-OG1 3.14Å; S321-T375 WeakPolarHBondContact CB-OG1 3.32Å; S321-T375 PolarHBondContact OG-OG1 2.75Å |
| 322 | R | 94.3 | Very high | 86.7 | Confident | 112 Ų | 112 | 28.8 Ų | 28.8 | 42% | 0.423 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67.8 | -43 | -179.9 | -173.2 | 57.2 | 176.8 | 165.7 | 4.3 | 112.6 | I276 E280 T318 V319 L320 V325 I326 | I276-R322 HydrophobicContact CG2-CG 3.92Å; E280-R322 HydrophobicContact CG-CG 4.42Å; E280-R322 WeakPolarHBondContact OE1-CG 3.46Å; E280-R322 IonicContact OE1-CZ 3.16Å; E280-R322 IonicContact OE1-NE 3.61Å; E280-R322 PolarHBondContact OE1-NE 3.06Å; E280-R322 IonicContact OE1-NH2 2.78Å; E280-R322 PolarHBondContact OE1-NH2 3.47Å; E280-R322 VanDerWaalsContact OE1-NH2 3.14Å; T318-R322 PolarHBondContact O-N 2.96Å; T318-R322 VanDerWaalsContact O-N 3.07Å; V319-R322 PolarHBondContact O-N 3.03Å; V319-R322 VanDerWaalsContact O-N 3.11Å; L320-R322 VanDerWaalsContact C-N 3.27Å; L320-R322 PolarHBondContact O-N 3.35Å; R322-V325 PolarHBondContact O-N 3.17Å; R322-I326 HydrophobicContact CG-CD1 4.29Å; R322-I326 WeakPolarHBondContact O-CG1 3.35Å; R322-I326 PolarHBondContact O-N 3.28Å |
| 323 | I | 92.7 | Very high | 85.7 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | -179.8 | -62.5 | -47.5 | 0 | 0 | 0 | 111.9 | F279 E280 V283 V294 I295 L298 V319 L320 V325 I326 A327 | F279-I323 VanDerWaalsContact C-CD1 3.44Å; F279-I323 HydrophobicContact CB-CD1 3.81Å; F279-I323 HydrophobicContact CB-CG1 4.03Å; F279-I323 WeakPolarHBondContact O-CD1 3.32Å; E280-I323 HydrophobicContact CG-CD1 4.33Å; V283-I323 HydrophobicContact CB-CD1 4.36Å; V283-I323 HydrophobicContact CB-CG2 4.3Å; V283-I323 HydrophobicContact CG1-CD1 4.11Å; V283-I323 HydrophobicContact CG2-CG2 3.96Å; V294-I323 HydrophobicContact CG1-CG2 4.11Å; I295-I323 HydrophobicContact CG1-CG2 4.12Å; L298-I323 HydrophobicContact CD1-CB 4.18Å; L298-I323 HydrophobicContact CD1-CG1 3.84Å; L298-I323 HydrophobicContact CD1-CG2 4.4Å; V319-I323 HydrophobicContact CG1-CG1 4.15Å; V319-I323 VanDerWaalsContact O-CG1 3.31Å; V319-I323 WeakPolarHBondContact O-CG1 3.25Å; V319-I323 PolarHBondContact O-N 3.33Å; L320-I323 PolarHBondContact O-N 3.37Å; I323-V325 VanDerWaalsContact C-N 3.29Å; I323-V325 PolarHBondContact O-N 3.43Å; I323-I326 PolarHBondContact O-N 3.39Å; I323-A327 WeakPolarHBondContact O-CB 3.48Å; I323-A327 PolarHBondContact O-N 2.94Å |
| 324 | V | 90.9 | Very high | 85 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 175.1 | 163 | 0 | 0 | 0 | 0 | 111.6 | I295 L320 A328 T375 F379 | I295-V324 HydrophobicContact CD1-CG2 4.24Å; I295-V324 HydrophobicContact CG1-CG2 4.45Å; I295-V324 HydrophobicContact CG2-CG2 4Å; L320-V324 HydrophobicContact CD1-CG2 4.22Å; L320-V324 HydrophobicContact CG-CG2 4.43Å; L320-V324 WeakPolarHBondContact O-CB 3.29Å; L320-V324 VanDerWaalsContact O-CG2 3.29Å; L320-V324 WeakPolarHBondContact O-CG2 3.34Å; L320-V324 PolarHBondContact O-N 3.35Å; V324-A328 PolarHBondContact O-N 3.46Å; V324-A328 VanDerWaalsContact O-N 3.15Å; V324-T375 HydrophobicContact CB-CG2 4.36Å; V324-T375 HydrophobicContact CG2-CG2 3.98Å; V324-F379 HydrophobicContact CG1-CB 3.51Å; V324-F379 HydrophobicContact CG1-CD2 3.85Å; V324-F379 HydrophobicContact CG1-CG 3.84Å |
| 325 | V | 89.4 | Confident | 84.4 | Confident | 64 Ų | 64 | 32.7 Ų | 32.7 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 178.4 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | S321 R322 I323 A328 N378 | S321-V325 WeakPolarHBondContact O-CG2 3.49Å; S321-V325 PolarHBondContact O-N 2.98Å; R322-V325 PolarHBondContact O-N 3.17Å; I323-V325 VanDerWaalsContact C-N 3.29Å; I323-V325 PolarHBondContact O-N 3.43Å; V325-A328 VanDerWaalsContact O-CB 3.28Å; V325-A328 WeakPolarHBondContact O-CB 3.34Å; V325-N378 HydrophobicContact CG2-CB 4.07Å |
| 326 | I | 87.1 | Confident | 84 | Confident | 35 Ų | 35 | 33 Ų | 33 | 18% | 0.179 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.5 | -42.9 | -178.6 | -64.2 | 166.9 | 0 | 0 | 0 | 111.5 | E280 V283 Y284 R322 I323 A328 | E280-I326 HydrophobicContact CB-CD1 4.42Å; E280-I326 HydrophobicContact CG-CD1 3.55Å; V283-I326 HydrophobicContact CG1-CB 4.17Å; V283-I326 HydrophobicContact CG1-CD1 4.47Å; V283-I326 HydrophobicContact CG1-CG2 3.56Å; Y284-I326 HydrophobicContact CD1-CG2 4.31Å; Y284-I326 HydrophobicContact CE1-CG2 3.66Å; Y284-I326 HydrophobicContact CE2-CD1 4.27Å; Y284-I326 HydrophobicContact CE2-CG2 4.22Å; R322-I326 HydrophobicContact CG-CD1 4.29Å; R322-I326 WeakPolarHBondContact O-CG1 3.35Å; R322-I326 PolarHBondContact O-N 3.28Å; I323-I326 PolarHBondContact O-N 3.39Å; I326-A328 PolarHBondContact O-N 3.41Å |
| 327 | A | 82.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.6 | -1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V283 I295 I323 T329 A330 S331 | V283-A327 HydrophobicContact CG2-CB 4.16Å; I295-A327 HydrophobicContact CD1-CB 3.96Å; I295-A327 HydrophobicContact CG1-CB 4.49Å; I323-A327 WeakPolarHBondContact O-CB 3.48Å; I323-A327 PolarHBondContact O-N 2.94Å; A327-T329 VanDerWaalsContact C-N 3.28Å; A327-T329 PolarHBondContact O-N 2.67Å; A327-A330 PolarHBondContact O-N 2.8Å; A327-S331 WeakPolarHBondContact O-CB 3.33Å; A327-S331 PolarHBondContact O-N 2.97Å; A327-S331 PolarHBondContact O-OG 3.35Å |
| 328 | A | 68.4 | Low | 83.2 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -32.7 | -51.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V324 V325 I326 A330 S331 N382 | V324-A328 PolarHBondContact O-N 3.46Å; V324-A328 VanDerWaalsContact O-N 3.15Å; V325-A328 VanDerWaalsContact O-CB 3.28Å; V325-A328 WeakPolarHBondContact O-CB 3.34Å; I326-A328 PolarHBondContact O-N 3.41Å; A328-A330 PolarHBondContact O-N 3.27Å; A328-S331 PolarHBondContact O-OG 3.07Å; A328-N382 HydrophobicContact CB-CB 3.96Å; A328-N382 WeakPolarHBondContact CB-ND2 3.28Å; A328-N382 WeakPolarHBondContact CB-OD1 3.49Å |
| 329 | T | 67.7 | Low | 82.9 | Confident | 138 Ų | 138 | 40.7 Ų | 40.7 | 85% | 0.847 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -17 | -171.4 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | A327 | A327-T329 VanDerWaalsContact C-N 3.28Å; A327-T329 PolarHBondContact O-N 2.67Å |
| 330 | A | 69.2 | Low | 82.6 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 26% | 0.256 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 0.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S288 S291 A327 A328 | S288-A330 WeakPolarHBondContact O-CB 3.31Å; S291-A330 PolarHBondContact OG-O 3.17Å; A327-A330 PolarHBondContact O-N 2.8Å; A328-A330 PolarHBondContact O-N 3.27Å |
| 331 | S | 64.1 | Low | 82.4 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | trans | -91.6 | 9.6 | -173.9 | 60.3 | 0 | 0 | 0 | 0 | 114.9 | A327 A328 G333 | A327-S331 WeakPolarHBondContact O-CB 3.33Å; A327-S331 PolarHBondContact O-N 2.97Å; A327-S331 PolarHBondContact O-OG 3.35Å; A328-S331 PolarHBondContact O-OG 3.07Å; S331-G333 PolarHBondContact O-N 3.44Å | ||
| 332 | I | 66.6 | Low | 82.3 | Confident | 83 Ų | 83 | 43 Ų | 43 | 43% | 0.426 | 24% | 0.237 | S | C | . | . | trans | -74.2 | 73.5 | 172.5 | -52.4 | 171 | 0 | 0 | 0 | 108.7 | I336 L383 P384 | I332-I336 HydrophobicContact CB-CD1 4.5Å; I332-I336 HydrophobicContact CG2-CD1 3.88Å; I332-L383 HydrophobicContact CG1-CD2 4.15Å; I332-P384 HydrophobicContact CD1-CG 4.33Å | ||
| 333 | G | 71.2 | Confident | 82.2 | Confident | 11 Ų | 11 | 37.7 Ų | 37.7 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | trans | -97.3 | 168.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S331 S335 I336 | S331-G333 PolarHBondContact O-N 3.44Å; G333-S335 PolarHBondContact O-N 3.29Å; G333-S335 VanDerWaalsContact O-N 3.14Å; G333-I336 VanDerWaalsContact O-CD1 3.31Å; G333-I336 WeakPolarHBondContact O-CD1 3.47Å; G333-I336 VanDerWaalsContact O-CG1 3.24Å; G333-I336 WeakPolarHBondContact O-CG1 3.35Å; G333-I336 PolarHBondContact O-N 3.48Å | ||
| 334 | P | 78 | Confident | 82.2 | Confident | 122 Ų | 122 | 37.7 Ų | 37.7 | 79% | 0.792 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.1 | 175.3 | 27 | -34.6 | 0 | 0 | 0 | 113.3 | ||
| 335 | S | 81.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 6.3 | -175.8 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | G333 F337 E338 I339 | G333-S335 PolarHBondContact O-N 3.29Å; G333-S335 VanDerWaalsContact O-N 3.14Å; S335-F337 PolarHBondContact O-N 2.81Å; S335-E338 WeakPolarHBondContact O-CB 3.12Å; S335-E338 PolarHBondContact O-N 3.49Å; S335-E338 VanDerWaalsContact O-N 3.11Å; S335-I339 VanDerWaalsContact O-CG1 3.31Å; S335-I339 WeakPolarHBondContact O-CG1 3.33Å; S335-I339 PolarHBondContact O-N 3.07Å |
| 336 | I | 86.6 | Confident | 82.3 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.9 | -51.3 | -176.3 | -67.8 | 158.5 | 0 | 0 | 0 | 111.1 | I332 G333 E338 I339 F340 F379 L383 I391 | I332-I336 HydrophobicContact CB-CD1 4.5Å; I332-I336 HydrophobicContact CG2-CD1 3.88Å; G333-I336 VanDerWaalsContact O-CD1 3.31Å; G333-I336 WeakPolarHBondContact O-CD1 3.47Å; G333-I336 VanDerWaalsContact O-CG1 3.24Å; G333-I336 WeakPolarHBondContact O-CG1 3.35Å; G333-I336 PolarHBondContact O-N 3.48Å; I336-E338 VanDerWaalsContact C-N 3.31Å; I336-E338 PolarHBondContact O-N 3.47Å; I336-I339 PolarHBondContact O-N 3.2Å; I336-F340 HydrophobicContact CG2-CD2 3.81Å; I336-F340 HydrophobicContact CG2-CE2 3.96Å; I336-F340 WeakPolarHBondContact O-CD2 3.09Å; I336-F340 PolarHBondContact O-N 3.48Å; I336-F379 HydrophobicContact CG1-CZ 4.16Å; I336-F379 HydrophobicContact CG2-CE1 4.42Å; I336-L383 HydrophobicContact CD1-CD2 4.05Å; I336-L383 HydrophobicContact CG2-CD1 4.16Å; I336-I391 HydrophobicContact CG2-CD1 4.1Å |
| 337 | F | 87.6 | Confident | 82.4 | Confident | 77 Ų | 77 | 39.5 Ų | 39.5 | 34% | 0.338 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.4 | -33.3 | -179.8 | -74.3 | -79.6 | 0 | 0 | 0 | 112.9 | S335 N341 E390 I391 F394 | S335-F337 PolarHBondContact O-N 2.81Å; F337-N341 WeakPolarHBondContact O-CB 3.43Å; F337-N341 PolarHBondContact O-N 2.71Å; F337-E390 HydrophobicContact CE1-CB 4.41Å; F337-E390 HydrophobicContact CZ-CB 3.88Å; F337-I391 HydrophobicContact CE1-CG1 4.37Å; F337-F394 HydrophobicContact CD1-CB 4.44Å; F337-F394 HydrophobicContact CD1-CD1 4.44Å; F337-F394 HydrophobicContact CD1-CD2 4.22Å; F337-F394 HydrophobicContact CD1-CG 4.12Å; F337-F394 HydrophobicContact CE1-CB 4.17Å; F337-F394 HydrophobicContact CE1-CG 4.34Å |
| 338 | E | 88.1 | Confident | 82.7 | Confident | 123 Ų | 123 | 42.8 Ų | 42.8 | 58% | 0.575 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.7 | -43.2 | 175.2 | -62.6 | 177.5 | 169.1 | 0 | 0 | 110.9 | S335 I336 N341 S342 | S335-E338 WeakPolarHBondContact O-CB 3.12Å; S335-E338 PolarHBondContact O-N 3.49Å; S335-E338 VanDerWaalsContact O-N 3.11Å; I336-E338 VanDerWaalsContact C-N 3.31Å; I336-E338 PolarHBondContact O-N 3.47Å; E338-N341 PolarHBondContact O-N 3.15Å; E338-S342 VanDerWaalsContact O-CB 3.28Å; E338-S342 WeakPolarHBondContact O-CB 3.28Å; E338-S342 PolarHBondContact O-N 3.21Å |
| 339 | I | 89.1 | Confident | 83.6 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 176.8 | -68.9 | 164 | 0 | 0 | 0 | 110.3 | I295 S335 I336 N341 S342 M343 F379 | I295-I339 HydrophobicContact CG2-CD1 3.97Å; I295-I339 HydrophobicContact CG2-CG2 4.45Å; S335-I339 VanDerWaalsContact O-CG1 3.31Å; S335-I339 WeakPolarHBondContact O-CG1 3.33Å; S335-I339 PolarHBondContact O-N 3.07Å; I336-I339 PolarHBondContact O-N 3.2Å; I339-N341 PolarHBondContact O-N 3.06Å; I339-S342 WeakPolarHBondContact O-CB 3.4Å; I339-S342 PolarHBondContact O-N 2.87Å; I339-M343 HydrophobicContact CG2-CE 3.53Å; I339-M343 PolarHBondContact O-N 3.26Å; I339-F379 HydrophobicContact CB-CE1 4.34Å; I339-F379 HydrophobicContact CD1-CE1 4.35Å; I339-F379 HydrophobicContact CD1-CZ 4.46Å; I339-F379 HydrophobicContact CG2-CD1 4.31Å; I339-F379 HydrophobicContact CG2-CE1 3.84Å |
| 340 | F | 91 | Very high | 84.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.2 | -89.5 | -92.5 | 0 | 0 | 0 | 111.6 | I336 S342 M343 L344 M376 F379 A380 L383 I391 | I336-F340 HydrophobicContact CG2-CD2 3.81Å; I336-F340 HydrophobicContact CG2-CE2 3.96Å; I336-F340 WeakPolarHBondContact O-CD2 3.09Å; I336-F340 PolarHBondContact O-N 3.48Å; F340-S342 VanDerWaalsContact C-N 3.25Å; F340-S342 PolarHBondContact O-N 3.14Å; F340-M343 PolarHBondContact O-N 2.92Å; F340-L344 WeakPolarHBondContact O-CB 3.5Å; F340-L344 WeakPolarHBondContact O-CG 3.31Å; F340-L344 PolarHBondContact O-N 2.86Å; F340-M376 HydrophobicContact CD1-CB 4.36Å; F340-M376 HydrophobicContact CD1-CG 3.95Å; F340-M376 HydrophobicContact CD1-SD 3.9Å; F340-M376 HydrophobicContact CE1-CB 3.75Å; F340-M376 HydrophobicContact CE1-CG 3.83Å; F340-M376 HydrophobicContact CE1-SD 4.24Å; F340-M376 HydrophobicContact CZ-CB 4.43Å; F340-F379 AromaticContact CD2-CD1 3.95Å; F340-F379 HydrophobicContact CD2-CD1 3.95Å; F340-F379 HydrophobicContact CD2-CE1 4.1Å; F340-F379 HydrophobicContact CE2-CB 4.34Å; F340-F379 AromaticContact CE2-CD1 3.26Å; F340-F379 HydrophobicContact CE2-CD1 3.26Å; F340-F379 AromaticContact CE2-CE1 3.73Å; F340-F379 HydrophobicContact CE2-CE1 3.73Å; F340-F379 HydrophobicContact CE2-CG 4.02Å; F340-F379 HydrophobicContact CZ-CB 4.17Å; F340-F379 AromaticContact CZ-CD1 3.91Å; F340-F379 HydrophobicContact CZ-CD1 3.91Å; F340-F379 HydrophobicContact CZ-CG 4.36Å; F340-A380 HydrophobicContact CZ-CB 4.28Å; F340-L383 HydrophobicContact CE2-CD1 4.36Å; F340-I391 HydrophobicContact CD1-CG2 3.74Å; F340-I391 HydrophobicContact CD2-CD1 4.11Å; F340-I391 HydrophobicContact CD2-CG1 4.49Å; F340-I391 HydrophobicContact CE1-CD1 4.4Å; F340-I391 HydrophobicContact CE1-CG2 3.55Å; F340-I391 HydrophobicContact CE2-CD1 3.65Å; F340-I391 HydrophobicContact CE2-CG1 4.44Å; F340-I391 HydrophobicContact CG-CG2 4.37Å; F340-I391 HydrophobicContact CZ-CD1 3.82Å; F340-I391 HydrophobicContact CZ-CG2 4.04Å |
| 341 | N | 90.2 | Very high | 85.4 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.4 | -36.5 | 177.6 | -169.5 | 52.7 | 0 | 0 | 0 | 111.9 | F337 E338 I339 R345 F394 K398 | F337-N341 WeakPolarHBondContact O-CB 3.43Å; F337-N341 PolarHBondContact O-N 2.71Å; E338-N341 PolarHBondContact O-N 3.15Å; I339-N341 PolarHBondContact O-N 3.06Å; N341-R345 WeakPolarHBondContact O-CB 3.2Å; N341-R345 PolarHBondContact O-N 2.88Å; N341-F394 HydrophobicContact CB-CE1 4.04Å; N341-F394 HydrophobicContact CB-CZ 3.76Å; N341-K398 PolarHBondContact OD1-NZ 3.04Å |
| 342 | S | 91.4 | Very high | 86.3 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.8 | -47.8 | 175.4 | -169.1 | 0 | 0 | 0 | 0 | 112.3 | N299 E338 I339 F340 L344 R345 H346 | N299-S342 WeakPolarHBondContact ND2-CB 3.21Å; N299-S342 PolarHBondContact ND2-OG 3.45Å; N299-S342 PolarHBondContact OD1-OG 3.34Å; E338-S342 VanDerWaalsContact O-CB 3.28Å; E338-S342 WeakPolarHBondContact O-CB 3.28Å; E338-S342 PolarHBondContact O-N 3.21Å; I339-S342 WeakPolarHBondContact O-CB 3.4Å; I339-S342 PolarHBondContact O-N 2.87Å; F340-S342 VanDerWaalsContact C-N 3.25Å; F340-S342 PolarHBondContact O-N 3.14Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-L344 PolarHBondContact O-N 2.79Å; S342-R345 WeakPolarHBondContact O-CB 3.48Å; S342-R345 PolarHBondContact O-N 3.35Å; S342-R345 PolarHBondContact OG-NH2 3.49Å; S342-H346 PolarHBondContact O-CD2 3.01Å; S342-H346 VanDerWaalsContact O-CD2 3.26Å; S342-H346 PolarHBondContact O-N 2.93Å |
| 343 | M | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 176.5 | -73.1 | -165.3 | -85 | 0 | 0 | 111.9 | L320 I339 F340 R345 H346 L347 T375 M376 F379 | L320-M343 HydrophobicContact CD2-SD 4.39Å; I339-M343 HydrophobicContact CG2-CE 3.53Å; I339-M343 PolarHBondContact O-N 3.26Å; F340-M343 PolarHBondContact O-N 2.92Å; M343-R345 VanDerWaalsContact C-N 3.34Å; M343-R345 PolarHBondContact O-N 3.48Å; M343-H346 PolarHBondContact O-N 3.26Å; M343-L347 PolarHBondContact O-N 3.22Å; M343-T375 HydrophobicContact SD-CG2 3.95Å; M343-M376 HydrophobicContact CB-CE 4.39Å; M343-M376 HydrophobicContact CB-CG 4.08Å; M343-M376 HydrophobicContact CB-SD 3.82Å; M343-M376 HydrophobicContact CE-CG 3.41Å; M343-M376 VanDerWaalsContact CE-CG 3.41Å; M343-M376 HydrophobicContact CG-CG 4.5Å; M343-M376 HydrophobicContact SD-CG 3.59Å; M343-M376 VanDerWaalsContact SD-CG 3.59Å; M343-F379 HydrophobicContact CE-CD1 4.22Å |
| 344 | L | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 174.1 | -69.7 | 176.3 | 0 | 0 | 0 | 111.2 | F340 S342 H346 L347 R348 M376 F394 I395 K398 L416 T419 | F340-L344 WeakPolarHBondContact O-CB 3.5Å; F340-L344 WeakPolarHBondContact O-CG 3.31Å; F340-L344 PolarHBondContact O-N 2.86Å; S342-L344 VanDerWaalsContact C-N 3.34Å; S342-L344 PolarHBondContact O-N 2.79Å; L344-H346 VanDerWaalsContact C-N 3.32Å; L344-H346 PolarHBondContact O-N 3.42Å; L344-L347 WeakPolarHBondContact O-CB 3.27Å; L344-L347 PolarHBondContact O-N 2.86Å; L344-R348 WeakPolarHBondContact O-CG 3.45Å; L344-R348 PolarHBondContact O-N 3.28Å; L344-M376 HydrophobicContact CD2-CE 4.26Å; L344-M376 HydrophobicContact CD2-SD 3.97Å; L344-M376 HydrophobicContact CG-SD 4.25Å; L344-F394 HydrophobicContact CD1-CD1 4.09Å; L344-F394 HydrophobicContact CD1-CE1 3.81Å; L344-I395 HydrophobicContact CD1-CG1 4.1Å; L344-I395 HydrophobicContact CD2-CG1 4.36Å; L344-K398 HydrophobicContact CD1-CG 4.41Å; L344-L416 HydrophobicContact CD2-CD2 3.7Å; L344-T419 HydrophobicContact CD2-CG2 4.14Å |
| 345 | R | 90.9 | Very high | 87.1 | Confident | 134 Ų | 134 | 37.3 Ų | 37.3 | 51% | 0.506 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 174.4 | 174.1 | 178 | 52.1 | 114.5 | 4.4 | 111.9 | N341 S342 M343 R348 Q349 | N341-R345 WeakPolarHBondContact O-CB 3.2Å; N341-R345 PolarHBondContact O-N 2.88Å; S342-R345 WeakPolarHBondContact O-CB 3.48Å; S342-R345 PolarHBondContact O-N 3.35Å; S342-R345 PolarHBondContact OG-NH2 3.49Å; M343-R345 VanDerWaalsContact C-N 3.34Å; M343-R345 PolarHBondContact O-N 3.48Å; R345-R348 PolarHBondContact O-N 3.11Å; R345-Q349 PolarHBondContact O-N 3.35Å |
| 346 | H | 91.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 176 | -63.6 | 176.1 | 0 | 0 | 0 | 112.3 | L302 G303 S342 M343 L344 R348 Q349 S350 L372 | L302-H346 VanDerWaalsContact CD2-ND1 3.3Å; L302-H346 WeakPolarHBondContact CD2-ND1 3.37Å; L302-H346 WeakPolarHBondContact CG-ND1 3.35Å; G303-H346 WeakPolarHBondContact CA-NE2 3.47Å; G303-H346 PolarHBondContact N-CE1 3.09Å; S342-H346 PolarHBondContact O-CD2 3.01Å; S342-H346 VanDerWaalsContact O-CD2 3.26Å; S342-H346 PolarHBondContact O-N 2.93Å; M343-H346 PolarHBondContact O-N 3.26Å; L344-H346 VanDerWaalsContact C-N 3.32Å; L344-H346 PolarHBondContact O-N 3.42Å; H346-R348 VanDerWaalsContact C-N 3.34Å; H346-Q349 PolarHBondContact O-N 2.93Å; H346-S350 WeakPolarHBondContact O-CB 3.22Å; H346-S350 PolarHBondContact O-N 2.86Å; H346-L372 HydrophobicContact CB-CD1 3.83Å |
| 347 | L | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 171.9 | -79.7 | 179 | 0 | 0 | 0 | 112.2 | M343 L344 S350 A351 Q369 L372 I373 M376 V415 T419 | M343-L347 PolarHBondContact O-N 3.22Å; L344-L347 WeakPolarHBondContact O-CB 3.27Å; L344-L347 PolarHBondContact O-N 2.86Å; L347-S350 PolarHBondContact O-N 3.01Å; L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 2.96Å; L347-Q369 HydrophobicContact CD2-CB 3.76Å; L347-Q369 HydrophobicContact CD2-CG 3.84Å; L347-L372 HydrophobicContact CD2-CB 3.84Å; L347-L372 HydrophobicContact CD2-CD1 3.92Å; L347-L372 HydrophobicContact CD2-CG 4.49Å; L347-L372 HydrophobicContact CG-CB 4.09Å; L347-L372 HydrophobicContact CG-CD1 3.96Å; L347-I373 HydrophobicContact CD1-CG1 4Å; L347-I373 HydrophobicContact CD2-CG1 4.26Å; L347-M376 HydrophobicContact CD1-CE 3.26Å; L347-M376 HydrophobicContact CG-CE 4.28Å; L347-V415 HydrophobicContact CB-CG1 4.06Å; L347-V415 HydrophobicContact CD1-CG1 4.13Å; L347-V415 HydrophobicContact CD2-CG1 3.94Å; L347-V415 HydrophobicContact CG-CG1 4.3Å; L347-T419 WeakPolarHBondContact CD1-OG1 3.45Å |
| 348 | R | 88.5 | Confident | 83.9 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 28% | 0.279 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -48 | 176.2 | -51.1 | -150.8 | 176.9 | 157.2 | -16.3 | 111.3 | L344 R345 H346 S350 A351 E352 K398 L412 | L344-R348 WeakPolarHBondContact O-CG 3.45Å; L344-R348 PolarHBondContact O-N 3.28Å; R345-R348 PolarHBondContact O-N 3.11Å; H346-R348 VanDerWaalsContact C-N 3.34Å; R348-S350 VanDerWaalsContact C-N 3.31Å; R348-S350 PolarHBondContact O-N 2.79Å; R348-A351 PolarHBondContact O-N 2.85Å; R348-E352 WeakPolarHBondContact O-CG 3.25Å; R348-E352 PolarHBondContact O-N 2.81Å; R348-K398 VanDerWaalsContact NH2-CB 3.33Å; R348-K398 PolarHBondContact NH2-O 3.22Å; R348-L412 HydrophobicContact CB-CD1 3.86Å; R348-L412 HydrophobicContact CG-CD1 3.48Å; R348-L412 VanDerWaalsContact CG-CD1 3.48Å |
| 349 | Q | 87.6 | Confident | 82.2 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 179.1 | -172.7 | -178.5 | -2.8 | 0 | 0 | 111.5 | G306 R345 H346 E352 L353 | G306-Q349 PolarHBondContact O-NE2 3.49Å; R345-Q349 PolarHBondContact O-N 3.35Å; H346-Q349 PolarHBondContact O-N 2.93Å; Q349-E352 PolarHBondContact O-N 3.38Å; Q349-L353 HydrophobicContact CG-CD1 4.46Å; Q349-L353 VanDerWaalsContact O-CG 3.3Å; Q349-L353 WeakPolarHBondContact O-CG 3.12Å; Q349-L353 PolarHBondContact O-N 2.88Å |
| 350 | S | 88.3 | Confident | 81 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.4 | 177.5 | 0 | 0 | 0 | 0 | 112.6 | H346 L347 R348 E352 L353 Q354 E365 Q369 | H346-S350 WeakPolarHBondContact O-CB 3.22Å; H346-S350 PolarHBondContact O-N 2.86Å; L347-S350 PolarHBondContact O-N 3.01Å; R348-S350 VanDerWaalsContact C-N 3.31Å; R348-S350 PolarHBondContact O-N 2.79Å; S350-E352 PolarHBondContact O-N 3.39Å; S350-L353 PolarHBondContact O-N 3.47Å; S350-Q354 WeakPolarHBondContact O-CB 3.38Å; S350-Q354 PolarHBondContact O-N 3.47Å; S350-E365 VanDerWaalsContact CB-OE2 3.32Å; S350-E365 WeakPolarHBondContact CB-OE2 3.24Å; S350-E365 PolarHBondContact OG-OE2 3.36Å; S350-Q369 VanDerWaalsContact OG-CG 3.28Å; S350-Q369 WeakPolarHBondContact OG-CG 3.48Å; S350-Q369 PolarHBondContact OG-NE2 2.92Å; S350-Q369 VanDerWaalsContact OG-NE2 3.09Å |
| 351 | A | 84.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L347 R348 Q354 S355 V415 | L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 2.96Å; R348-A351 PolarHBondContact O-N 2.85Å; A351-Q354 PolarHBondContact O-N 2.93Å; A351-S355 PolarHBondContact O-N 3.21Å; A351-V415 HydrophobicContact CB-CG2 4.22Å |
| 352 | E | 82.7 | Confident | 79 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 174.8 | -73.4 | 169.3 | -169.2 | 0 | 0 | 111.8 | R348 Q349 S350 S355 S356 | R348-E352 WeakPolarHBondContact O-CG 3.25Å; R348-E352 PolarHBondContact O-N 2.81Å; Q349-E352 PolarHBondContact O-N 3.38Å; S350-E352 PolarHBondContact O-N 3.39Å; E352-S355 PolarHBondContact O-N 3.43Å; E352-S355 PolarHBondContact O-OG 2.99Å; E352-S356 PolarHBondContact O-N 3.25Å; E352-S356 PolarHBondContact O-OG 3.42Å |
| 353 | L | 80.6 | Confident | 78.7 | Confident | 63 Ų | 63 | 54.6 Ų | 54.6 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.8 | -71 | 170.5 | 0 | 0 | 0 | 111.4 | Q349 S350 S355 S356 D357 | Q349-L353 HydrophobicContact CG-CD1 4.46Å; Q349-L353 VanDerWaalsContact O-CG 3.3Å; Q349-L353 WeakPolarHBondContact O-CG 3.12Å; Q349-L353 PolarHBondContact O-N 2.88Å; S350-L353 PolarHBondContact O-N 3.47Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.48Å; L353-S356 PolarHBondContact O-N 2.97Å; L353-D357 PolarHBondContact O-N 3.45Å |
| 354 | Q | 79.4 | Confident | 78.4 | Confident | 18 Ų | 18 | 58.1 Ų | 58.1 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 176.8 | -171.7 | -177.5 | -4.2 | 0 | 0 | 112.5 | S350 A351 S356 E365 | S350-Q354 WeakPolarHBondContact O-CB 3.38Å; S350-Q354 PolarHBondContact O-N 3.47Å; A351-Q354 PolarHBondContact O-N 2.93Å; Q354-S356 VanDerWaalsContact C-N 3.26Å; Q354-S356 PolarHBondContact O-N 3.07Å; Q354-E365 HydrophobicContact CB-CB 4.5Å |
| 355 | S | 73.6 | Confident | 78.2 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.4 | -16.8 | 177.2 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | A351 E352 L353 | A351-S355 PolarHBondContact O-N 3.21Å; E352-S355 PolarHBondContact O-N 3.43Å; E352-S355 PolarHBondContact O-OG 2.99Å; L353-S355 VanDerWaalsContact C-N 3.26Å; L353-S355 PolarHBondContact O-N 3.48Å |
| 356 | S | 70.6 | Confident | 78.1 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 66% | 0.664 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -97.1 | -25.6 | -175.7 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | E352 L353 Q354 | E352-S356 PolarHBondContact O-N 3.25Å; E352-S356 PolarHBondContact O-OG 3.42Å; L353-S356 PolarHBondContact O-N 2.97Å; Q354-S356 VanDerWaalsContact C-N 3.26Å; Q354-S356 PolarHBondContact O-N 3.07Å |
| 357 | D | 60.5 | Low | 78.1 | Confident | 81 Ų | 81 | 58 Ų | 58 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | trans | -98.3 | 132.1 | -169.6 | -86.2 | -5.7 | 0 | 0 | 0 | 114 | L353 T361 | L353-D357 PolarHBondContact O-N 3.45Å; D357-T361 WeakPolarHBondContact CB-OG1 3.29Å; D357-T361 PolarHBondContact OD2-OG1 3.44Å | ||
| 358 | S | 57.2 | Low | 78.3 | Confident | 109 Ų | 109 | 58.1 Ų | 58.1 | 76% | 0.762 | 33% | 0.334 | S | S | * | . | trans | -90 | -10.3 | 167.6 | 52.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 359 | D | 53.3 | Low | 78.5 | Confident | 128 Ų | 128 | 54.9 Ų | 54.9 | 68% | 0.684 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -109.4 | 51.1 | -153.7 | -74 | 4.2 | 0 | 0 | 0 | 114.3 | T361 | D359-T361 PolarHBondContact O-N 3.05Š|
| 360 | G | 63.1 | Low | 78.8 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 62% | 0.619 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 66.6 | -5.9 | 168 | 0 | 0 | 0 | 0 | 0 | 116.8 | S362 | G360-S362 PolarHBondContact O-N 2.84Š|
| 361 | T | 65.9 | Low | 79.1 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 29% | 0.288 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -20.4 | 172.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | D357 D359 D363 Q364 E365 | D357-T361 WeakPolarHBondContact CB-OG1 3.29Å; D357-T361 PolarHBondContact OD2-OG1 3.44Å; D359-T361 PolarHBondContact O-N 3.05Å; T361-D363 VanDerWaalsContact C-N 3.29Å; T361-D363 PolarHBondContact O-N 3.45Å; T361-Q364 PolarHBondContact O-N 3.38Å; T361-Q364 VanDerWaalsContact O-N 3.15Å; T361-E365 PolarHBondContact O-N 3.3Å |
| 362 | S | 74 | Confident | 79.7 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -51.8 | -41.9 | -179.4 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | G360 E365 K366 | G360-S362 PolarHBondContact O-N 2.84Å; S362-E365 PolarHBondContact O-N 3.15Å; S362-K366 WeakPolarHBondContact O-CG 3.25Å; S362-K366 PolarHBondContact O-N 2.9Å |
| 363 | D | 84.8 | Confident | 80.3 | Confident | 100 Ų | 100 | 50.3 Ų | 50.3 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72 | -36.2 | -177.7 | -68.5 | -23.6 | 0 | 0 | 0 | 112.7 | T361 E365 K366 V367 | T361-D363 VanDerWaalsContact C-N 3.29Å; T361-D363 PolarHBondContact O-N 3.45Å; D363-E365 VanDerWaalsContact C-N 3.33Å; D363-K366 PolarHBondContact O-N 2.7Å; D363-K366 IonicContact OD1-NZ 2.88Å; D363-K366 PolarHBondContact OD1-NZ 2.89Å; D363-V367 WeakPolarHBondContact O-CG2 3.42Å; D363-V367 PolarHBondContact O-N 3.38Å; D363-V367 VanDerWaalsContact O-N 3.09Å |
| 364 | Q | 85.6 | Confident | 80.9 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 174.3 | -62.1 | -168.3 | -14.4 | 0 | 0 | 111.3 | A310 E311 T361 V367 Y368 | A310-Q364 HydrophobicContact CB-CB 3.64Å; E311-Q364 PolarHBondContact OE1-NE2 2.85Å; T361-Q364 PolarHBondContact O-N 3.38Å; T361-Q364 VanDerWaalsContact O-N 3.15Å; Q364-V367 PolarHBondContact O-N 3.45Å; Q364-Y368 PolarHBondContact O-N 2.87Å |
| 365 | E | 89.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.1 | -69.4 | -59.5 | 153 | 0 | 0 | 112.1 | R313 S350 Q354 T361 S362 D363 V367 Y368 Q369 | R313-E365 IonicContact CZ-OE1 3.93Å; R313-E365 VanDerWaalsContact CZ-OE1 3.25Å; R313-E365 IonicContact CZ-OE2 3.77Å; R313-E365 IonicContact NH1-OE1 3.96Å; R313-E365 PolarHBondContact NH1-OE1 3.18Å; R313-E365 IonicContact NH1-OE2 3.89Å; R313-E365 PolarHBondContact NH1-OE2 3.37Å; R313-E365 IonicContact NH2-OE1 3.16Å; R313-E365 PolarHBondContact NH2-OE1 3.23Å; R313-E365 IonicContact NH2-OE2 2.68Å; S350-E365 VanDerWaalsContact CB-OE2 3.32Å; S350-E365 WeakPolarHBondContact CB-OE2 3.24Å; S350-E365 PolarHBondContact OG-OE2 3.36Å; Q354-E365 HydrophobicContact CB-CB 4.5Å; T361-E365 PolarHBondContact O-N 3.3Å; S362-E365 PolarHBondContact O-N 3.15Å; D363-E365 VanDerWaalsContact C-N 3.33Å; E365-V367 VanDerWaalsContact C-N 3.33Å; E365-V367 PolarHBondContact O-N 3Å; E365-Y368 WeakPolarHBondContact O-CB 3.47Å; E365-Y368 PolarHBondContact O-N 3.17Å; E365-Y368 VanDerWaalsContact O-N 3.16Å; E365-Q369 VanDerWaalsContact O-CG 3.27Å; E365-Q369 WeakPolarHBondContact O-CG 3.4Å; E365-Q369 PolarHBondContact O-N 2.89Å |
| 366 | K | 89.1 | Confident | 82.6 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 174 | -70.8 | 172.3 | -167.6 | 162.6 | 0 | 111.2 | S362 D363 Y368 Q369 D370 D639 | S362-K366 WeakPolarHBondContact O-CG 3.25Å; S362-K366 PolarHBondContact O-N 2.9Å; D363-K366 PolarHBondContact O-N 2.7Å; D363-K366 IonicContact OD1-NZ 2.88Å; D363-K366 PolarHBondContact OD1-NZ 2.89Å; K366-Y368 VanDerWaalsContact C-N 3.33Å; K366-Y368 PolarHBondContact O-N 3.32Å; K366-Q369 PolarHBondContact O-N 3.33Å; K366-D370 WeakPolarHBondContact O-CB 3.3Å; K366-D370 PolarHBondContact O-N 3.37Å; K366-D639 IonicContact NZ-OD1 2.99Å |
| 367 | V | 91.7 | Very high | 83.7 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 176 | 174.1 | 0 | 0 | 0 | 0 | 111 | D363 Q364 E365 D370 I371 | D363-V367 WeakPolarHBondContact O-CG2 3.42Å; D363-V367 PolarHBondContact O-N 3.38Å; D363-V367 VanDerWaalsContact O-N 3.09Å; Q364-V367 PolarHBondContact O-N 3.45Å; E365-V367 VanDerWaalsContact C-N 3.33Å; E365-V367 PolarHBondContact O-N 3Å; V367-D370 PolarHBondContact O-N 2.86Å; V367-I371 HydrophobicContact CG1-CD1 3.96Å; V367-I371 WeakPolarHBondContact O-CD1 3.46Å; V367-I371 VanDerWaalsContact O-CG1 3.27Å; V367-I371 WeakPolarHBondContact O-CG1 3.38Å; V367-I371 PolarHBondContact O-N 3.33Å |
| 368 | Y | 93.5 | Very high | 85.2 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 176.3 | 176.9 | -120.3 | 0 | 0 | 0 | 112.2 | L302 R313 C314 A317 Q364 E365 K366 D370 I371 L372 | L302-Y368 HydrophobicContact CD1-CE2 4.09Å; L302-Y368 HydrophobicContact CD2-CE2 4.45Å; R313-Y368 HydrophobicContact CB-CD2 3.91Å; R313-Y368 HydrophobicContact CB-CE2 3.66Å; C314-Y368 VanDerWaalsContact SG-CA 3.52Å; C314-Y368 VanDerWaalsContact SG-CB 3.53Å; A317-Y368 HydrophobicContact CB-CD2 4.15Å; A317-Y368 HydrophobicContact CB-CE2 3.88Å; Q364-Y368 PolarHBondContact O-N 2.87Å; E365-Y368 WeakPolarHBondContact O-CB 3.47Å; E365-Y368 PolarHBondContact O-N 3.17Å; E365-Y368 VanDerWaalsContact O-N 3.16Å; K366-Y368 VanDerWaalsContact C-N 3.33Å; K366-Y368 PolarHBondContact O-N 3.32Å; Y368-D370 VanDerWaalsContact C-N 3.32Å; Y368-D370 PolarHBondContact O-N 3.38Å; Y368-I371 PolarHBondContact O-N 3.42Å; Y368-L372 HydrophobicContact CD1-CD1 4.37Å; Y368-L372 HydrophobicContact CE1-CD1 3.74Å; Y368-L372 HydrophobicContact CE2-CD1 4Å; Y368-L372 HydrophobicContact CE2-CD2 4.38Å; Y368-L372 HydrophobicContact CE2-CG 4.1Å; Y368-L372 PolarHBondContact O-N 3.46Å; Y368-L372 VanDerWaalsContact O-N 3.1Å |
| 369 | Q | 93.1 | Very high | 86.8 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 176.8 | -67.7 | 168.2 | 19.5 | 0 | 0 | 111.3 | L347 S350 E365 K366 I371 L372 I373 | L347-Q369 HydrophobicContact CD2-CB 3.76Å; L347-Q369 HydrophobicContact CD2-CG 3.84Å; S350-Q369 VanDerWaalsContact OG-CG 3.28Å; S350-Q369 WeakPolarHBondContact OG-CG 3.48Å; S350-Q369 PolarHBondContact OG-NE2 2.92Å; S350-Q369 VanDerWaalsContact OG-NE2 3.09Å; E365-Q369 VanDerWaalsContact O-CG 3.27Å; E365-Q369 WeakPolarHBondContact O-CG 3.4Å; E365-Q369 PolarHBondContact O-N 2.89Å; K366-Q369 PolarHBondContact O-N 3.33Å; Q369-I371 VanDerWaalsContact C-N 3.34Å; Q369-I371 PolarHBondContact O-N 2.93Å; Q369-L372 PolarHBondContact O-N 3.36Å; Q369-I373 WeakPolarHBondContact O-CB 3.36Å; Q369-I373 VanDerWaalsContact O-CG1 3.24Å; Q369-I373 WeakPolarHBondContact O-CG1 3.4Å; Q369-I373 PolarHBondContact O-N 3.02Å |
| 370 | D | 94.1 | Very high | 88.6 | Confident | 33 Ų | 33 | 30.1 Ų | 30.1 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 179.3 | -78.8 | 11.9 | 0 | 0 | 0 | 112 | K366 V367 Y368 I373 N374 R418 | K366-D370 WeakPolarHBondContact O-CB 3.3Å; K366-D370 PolarHBondContact O-N 3.37Å; V367-D370 PolarHBondContact O-N 2.86Å; Y368-D370 VanDerWaalsContact C-N 3.32Å; Y368-D370 PolarHBondContact O-N 3.38Å; D370-I373 PolarHBondContact O-N 3.1Å; D370-N374 VanDerWaalsContact O-CB 3.25Å; D370-N374 WeakPolarHBondContact O-CB 3.41Å; D370-N374 VanDerWaalsContact O-CG 3.22Å; D370-N374 PolarHBondContact O-N 2.97Å; D370-N374 PolarHBondContact O-ND2 3.47Å; D370-R418 IonicContact OD1-CZ 3.39Å; D370-R418 IonicContact OD1-NH1 3.38Å; D370-R418 PolarHBondContact OD1-NH1 3.42Å; D370-R418 IonicContact OD1-NH2 3.65Å; D370-R418 PolarHBondContact OD1-NH2 3.26Å; D370-R418 IonicContact OD2-CZ 2.79Å; D370-R418 IonicContact OD2-NH1 3Å; D370-R418 IonicContact OD2-NH2 3.77Å; D370-R418 PolarHBondContact OD2-NH2 2.92Å |
| 371 | I | 95.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 175 | -65.6 | 161.8 | 0 | 0 | 0 | 110.1 | C314 A317 V367 Y368 Q369 T375 | C314-I371 HydrophobicContact CB-CD1 4.07Å; A317-I371 VanDerWaalsContact C-CG2 3.49Å; A317-I371 HydrophobicContact CB-CB 4.4Å; A317-I371 HydrophobicContact CB-CG2 3.61Å; A317-I371 WeakPolarHBondContact O-CG2 3.26Å; V367-I371 HydrophobicContact CG1-CD1 3.96Å; V367-I371 WeakPolarHBondContact O-CD1 3.46Å; V367-I371 VanDerWaalsContact O-CG1 3.27Å; V367-I371 WeakPolarHBondContact O-CG1 3.38Å; V367-I371 PolarHBondContact O-N 3.33Å; Y368-I371 PolarHBondContact O-N 3.42Å; Q369-I371 VanDerWaalsContact C-N 3.34Å; Q369-I371 PolarHBondContact O-N 2.93Å; I371-T375 VanDerWaalsContact O-CB 3.3Å; I371-T375 WeakPolarHBondContact O-CB 3.44Å; I371-T375 PolarHBondContact O-N 2.52Å; I371-T375 PolarHBondContact O-OG1 3.14Å |
| 372 | L | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 179.4 | -69.8 | -176.1 | 0 | 0 | 0 | 112.8 | L302 A317 H346 L347 Y368 Q369 T375 M376 | L302-L372 HydrophobicContact CD2-CD2 3.97Å; A317-L372 HydrophobicContact CB-CD2 4.03Å; H346-L372 HydrophobicContact CB-CD1 3.83Å; L347-L372 HydrophobicContact CD2-CB 3.84Å; L347-L372 HydrophobicContact CD2-CD1 3.92Å; L347-L372 HydrophobicContact CD2-CG 4.49Å; L347-L372 HydrophobicContact CG-CB 4.09Å; L347-L372 HydrophobicContact CG-CD1 3.96Å; Y368-L372 HydrophobicContact CD1-CD1 4.37Å; Y368-L372 HydrophobicContact CE1-CD1 3.74Å; Y368-L372 HydrophobicContact CE2-CD1 4Å; Y368-L372 HydrophobicContact CE2-CD2 4.38Å; Y368-L372 HydrophobicContact CE2-CG 4.1Å; Y368-L372 PolarHBondContact O-N 3.46Å; Y368-L372 VanDerWaalsContact O-N 3.1Å; Q369-L372 PolarHBondContact O-N 3.36Å; L372-T375 WeakPolarHBondContact O-CB 3.33Å; L372-T375 PolarHBondContact O-N 3.01Å; L372-M376 PolarHBondContact O-N 2.92Å |
| 373 | I | 95.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 177.2 | -70.2 | 168.6 | 0 | 0 | 0 | 110.2 | L347 Q369 D370 T375 M376 A377 V415 R418 T419 K422 | L347-I373 HydrophobicContact CD1-CG1 4Å; L347-I373 HydrophobicContact CD2-CG1 4.26Å; Q369-I373 WeakPolarHBondContact O-CB 3.36Å; Q369-I373 VanDerWaalsContact O-CG1 3.24Å; Q369-I373 WeakPolarHBondContact O-CG1 3.4Å; Q369-I373 PolarHBondContact O-N 3.02Å; D370-I373 PolarHBondContact O-N 3.1Å; I373-T375 VanDerWaalsContact C-N 3.3Å; I373-T375 PolarHBondContact O-N 3.3Å; I373-M376 PolarHBondContact O-N 3.26Å; I373-A377 WeakPolarHBondContact O-CB 3.37Å; I373-A377 PolarHBondContact O-N 2.99Å; I373-V415 HydrophobicContact CD1-CG1 4.5Å; I373-R418 HydrophobicContact CD1-CB 4.41Å; I373-R418 HydrophobicContact CD1-CG 4.21Å; I373-T419 WeakPolarHBondContact CG1-OG1 3.32Å; I373-K422 HydrophobicContact CG2-CB 3.7Å; I373-K422 HydrophobicContact CG2-CG 3.97Å |
| 374 | N | 94.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 27.4 Ų | 27.4 | 32% | 0.316 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 177.6 | -72.5 | -40.3 | 0 | 0 | 0 | 111.6 | D370 A377 N378 K422 | D370-N374 VanDerWaalsContact O-CB 3.25Å; D370-N374 WeakPolarHBondContact O-CB 3.41Å; D370-N374 VanDerWaalsContact O-CG 3.22Å; D370-N374 PolarHBondContact O-N 2.97Å; D370-N374 PolarHBondContact O-ND2 3.47Å; N374-A377 PolarHBondContact O-N 3.38Å; N374-N378 WeakPolarHBondContact O-CB 3.38Å; N374-N378 PolarHBondContact O-N 3.38Å; N374-N378 PolarHBondContact O-ND2 2.95Å; N374-K422 WeakPolarHBondContact OD1-CE 3.44Å; N374-K422 PolarHBondContact OD1-NZ 3.49Å |
| 375 | T | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 175.3 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L320 S321 V324 M343 I371 L372 I373 A377 N378 F379 | L320-T375 HydrophobicContact CG-CG2 4.27Å; S321-T375 WeakPolarHBondContact CA-OG1 3.14Å; S321-T375 WeakPolarHBondContact CB-OG1 3.32Å; S321-T375 PolarHBondContact OG-OG1 2.75Å; V324-T375 HydrophobicContact CB-CG2 4.36Å; V324-T375 HydrophobicContact CG2-CG2 3.98Å; M343-T375 HydrophobicContact SD-CG2 3.95Å; I371-T375 VanDerWaalsContact O-CB 3.3Å; I371-T375 WeakPolarHBondContact O-CB 3.44Å; I371-T375 PolarHBondContact O-N 2.52Å; I371-T375 PolarHBondContact O-OG1 3.14Å; L372-T375 WeakPolarHBondContact O-CB 3.33Å; L372-T375 PolarHBondContact O-N 3.01Å; I373-T375 VanDerWaalsContact C-N 3.3Å; I373-T375 PolarHBondContact O-N 3.3Å; T375-A377 VanDerWaalsContact C-N 3.35Å; T375-A377 PolarHBondContact O-N 3.11Å; T375-N378 PolarHBondContact O-N 2.86Å; T375-F379 WeakPolarHBondContact O-CB 3.3Å; T375-F379 PolarHBondContact O-N 3.24Å |
| 376 | M | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.4 | -79.1 | -174.5 | -73.1 | 0 | 0 | 112.4 | F340 M343 L344 L347 L372 I373 F379 A380 T419 | F340-M376 HydrophobicContact CD1-CB 4.36Å; F340-M376 HydrophobicContact CD1-CG 3.95Å; F340-M376 HydrophobicContact CD1-SD 3.9Å; F340-M376 HydrophobicContact CE1-CB 3.75Å; F340-M376 HydrophobicContact CE1-CG 3.83Å; F340-M376 HydrophobicContact CE1-SD 4.24Å; F340-M376 HydrophobicContact CZ-CB 4.43Å; M343-M376 HydrophobicContact CB-CE 4.39Å; M343-M376 HydrophobicContact CB-CG 4.08Å; M343-M376 HydrophobicContact CB-SD 3.82Å; M343-M376 HydrophobicContact CE-CG 3.41Å; M343-M376 VanDerWaalsContact CE-CG 3.41Å; M343-M376 HydrophobicContact CG-CG 4.5Å; M343-M376 HydrophobicContact SD-CG 3.59Å; M343-M376 VanDerWaalsContact SD-CG 3.59Å; L344-M376 HydrophobicContact CD2-CE 4.26Å; L344-M376 HydrophobicContact CD2-SD 3.97Å; L344-M376 HydrophobicContact CG-SD 4.25Å; L347-M376 HydrophobicContact CD1-CE 3.26Å; L347-M376 HydrophobicContact CG-CE 4.28Å; L372-M376 PolarHBondContact O-N 2.92Å; I373-M376 PolarHBondContact O-N 3.26Å; M376-F379 PolarHBondContact O-N 3.16Å; M376-A380 WeakPolarHBondContact O-CB 3.46Å; M376-A380 PolarHBondContact O-N 3.43Å; M376-T419 HydrophobicContact CE-CG2 3.38Å; M376-T419 HydrophobicContact SD-CG2 3.95Å |
| 377 | A | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I373 N374 T375 F379 A380 D381 K422 K426 | I373-A377 WeakPolarHBondContact O-CB 3.37Å; I373-A377 PolarHBondContact O-N 2.99Å; N374-A377 PolarHBondContact O-N 3.38Å; T375-A377 VanDerWaalsContact C-N 3.35Å; T375-A377 PolarHBondContact O-N 3.11Å; A377-F379 VanDerWaalsContact C-N 3.25Å; A377-F379 PolarHBondContact O-N 3.32Å; A377-A380 PolarHBondContact O-N 3.42Å; A377-D381 PolarHBondContact O-N 2.84Å; A377-K422 HydrophobicContact CB-CB 4.07Å; A377-K422 HydrophobicContact CB-CG 3.33Å; A377-K426 HydrophobicContact CB-CG 4.36Å; A377-K426 WeakPolarHBondContact O-CG 3.48Å |
| 378 | N | 92.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 29.5 Ų | 29.5 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 174.8 | -70.6 | -18.9 | 0 | 0 | 0 | 111.6 | V325 N374 T375 D381 N382 | V325-N378 HydrophobicContact CG2-CB 4.07Å; N374-N378 WeakPolarHBondContact O-CB 3.38Å; N374-N378 PolarHBondContact O-N 3.38Å; N374-N378 PolarHBondContact O-ND2 2.95Å; T375-N378 PolarHBondContact O-N 2.86Å; N378-D381 WeakPolarHBondContact O-CB 3.47Å; N378-N382 PolarHBondContact O-ND2 3.19Å |
| 379 | F | 90.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 174.7 | -163.6 | -162.6 | 0 | 0 | 0 | 111 | V324 I336 I339 F340 M343 T375 M376 A377 D381 N382 | V324-F379 HydrophobicContact CG1-CB 3.51Å; V324-F379 HydrophobicContact CG1-CD2 3.85Å; V324-F379 HydrophobicContact CG1-CG 3.84Å; I336-F379 HydrophobicContact CG1-CZ 4.16Å; I336-F379 HydrophobicContact CG2-CE1 4.42Å; I339-F379 HydrophobicContact CB-CE1 4.34Å; I339-F379 HydrophobicContact CD1-CE1 4.35Å; I339-F379 HydrophobicContact CD1-CZ 4.46Å; I339-F379 HydrophobicContact CG2-CD1 4.31Å; I339-F379 HydrophobicContact CG2-CE1 3.84Å; F340-F379 AromaticContact CD2-CD1 3.95Å; F340-F379 HydrophobicContact CD2-CD1 3.95Å; F340-F379 HydrophobicContact CD2-CE1 4.1Å; F340-F379 HydrophobicContact CE2-CB 4.34Å; F340-F379 AromaticContact CE2-CD1 3.26Å; F340-F379 HydrophobicContact CE2-CD1 3.26Å; F340-F379 AromaticContact CE2-CE1 3.73Å; F340-F379 HydrophobicContact CE2-CE1 3.73Å; F340-F379 HydrophobicContact CE2-CG 4.02Å; F340-F379 HydrophobicContact CZ-CB 4.17Å; F340-F379 AromaticContact CZ-CD1 3.91Å; F340-F379 HydrophobicContact CZ-CD1 3.91Å; F340-F379 HydrophobicContact CZ-CG 4.36Å; M343-F379 HydrophobicContact CE-CD1 4.22Å; T375-F379 WeakPolarHBondContact O-CB 3.3Å; T375-F379 PolarHBondContact O-N 3.24Å; M376-F379 PolarHBondContact O-N 3.16Å; A377-F379 VanDerWaalsContact C-N 3.25Å; A377-F379 PolarHBondContact O-N 3.32Å; F379-D381 VanDerWaalsContact C-N 3.3Å; F379-D381 PolarHBondContact O-N 3.5Å; F379-N382 PolarHBondContact O-N 2.98Å |
| 380 | A | 91.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F340 M376 A377 N382 L383 K388 V423 | F340-A380 HydrophobicContact CZ-CB 4.28Å; M376-A380 WeakPolarHBondContact O-CB 3.46Å; M376-A380 PolarHBondContact O-N 3.43Å; A377-A380 PolarHBondContact O-N 3.42Å; A380-N382 PolarHBondContact O-N 3.47Å; A380-N382 VanDerWaalsContact O-N 3.17Å; A380-L383 WeakPolarHBondContact O-CB 3.32Å; A380-L383 PolarHBondContact O-N 2.92Å; A380-K388 WeakPolarHBondContact O-CE 3.24Å; A380-K388 WeakPolarHBondContact O-CG 3.3Å; A380-V423 HydrophobicContact CB-CG1 3.89Å; A380-V423 HydrophobicContact CB-CG2 4.42Å |
| 381 | D | 91.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 32.8 Ų | 32.8 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -53.5 | -36.4 | 178.6 | -153.5 | 3.4 | 0 | 0 | 0 | 112.5 | A377 N378 F379 L383 K388 K426 | A377-D381 PolarHBondContact O-N 2.84Å; N378-D381 WeakPolarHBondContact O-CB 3.47Å; F379-D381 VanDerWaalsContact C-N 3.3Å; F379-D381 PolarHBondContact O-N 3.5Å; D381-L383 VanDerWaalsContact C-N 3.32Å; D381-L383 PolarHBondContact O-N 3.22Å; D381-K388 WeakPolarHBondContact O-CE 3.44Å; D381-K388 PolarHBondContact O-NZ 3Å; D381-K388 VanDerWaalsContact O-NZ 3.16Å; D381-K426 HydrophobicContact CB-CB 4.25Å; D381-K426 HydrophobicContact CB-CD 4.05Å; D381-K426 HydrophobicContact CB-CG 4.16Å; D381-K426 IonicContact OD2-NZ 3.77Å; D381-K426 PolarHBondContact OD2-NZ 2.59Å |
| 382 | N | 87.3 | Confident | 92.4 | Very high | 60 Ų | 60 | 31.5 Ų | 31.5 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.4 | -178.3 | -57.4 | -47.1 | 0 | 0 | 0 | 114.1 | A328 N378 F379 A380 | A328-N382 HydrophobicContact CB-CB 3.96Å; A328-N382 WeakPolarHBondContact CB-ND2 3.28Å; A328-N382 WeakPolarHBondContact CB-OD1 3.49Å; N378-N382 PolarHBondContact O-ND2 3.19Å; F379-N382 PolarHBondContact O-N 2.98Å; A380-N382 PolarHBondContact O-N 3.47Å; A380-N382 VanDerWaalsContact O-N 3.17Å |
| 383 | L | 89 | Confident | 92.3 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -88.6 | 151.9 | -177.1 | -57.2 | 179 | 0 | 0 | 0 | 111.5 | I332 I336 F340 A380 D381 Q387 K388 I391 | I332-L383 HydrophobicContact CG1-CD2 4.15Å; I336-L383 HydrophobicContact CD1-CD2 4.05Å; I336-L383 HydrophobicContact CG2-CD1 4.16Å; F340-L383 HydrophobicContact CE2-CD1 4.36Å; A380-L383 WeakPolarHBondContact O-CB 3.32Å; A380-L383 PolarHBondContact O-N 2.92Å; D381-L383 VanDerWaalsContact C-N 3.32Å; D381-L383 PolarHBondContact O-N 3.22Å; L383-Q387 HydrophobicContact CB-CB 4.12Å; L383-Q387 HydrophobicContact CD1-CB 4.4Å; L383-K388 HydrophobicContact CB-CG 4.29Å; L383-K388 WeakPolarHBondContact O-CE 3.49Å; L383-I391 HydrophobicContact CD1-CD1 3.11Å |
| 384 | P | 90 | Very high | 92.1 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | trans | -58.1 | 150.1 | 167.2 | -23 | 34.1 | 0 | 0 | 0 | 112.1 | I332 Y386 Q387 K388 | I332-P384 HydrophobicContact CD1-CG 4.33Å; P384-Y386 VanDerWaalsContact C-N 3.26Å; P384-Y386 HydrophobicContact CB-CD1 3.61Å; P384-Y386 HydrophobicContact CB-CE1 3.38Å; P384-Y386 HydrophobicContact CG-CE1 3.88Å; P384-Y386 PolarHBondContact O-N 3.45Å; P384-Y386 VanDerWaalsContact O-N 3.14Å; P384-Q387 PolarHBondContact O-N 2.98Å; P384-K388 PolarHBondContact O-N 3.42Å; P384-K388 VanDerWaalsContact O-N 3.09Å | ||
| 385 | D | 91.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 32.9 Ų | 32.9 | 42% | 0.417 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -53.6 | -37.9 | -176.3 | -76 | -11.6 | 0 | 0 | 0 | 114.3 | Q387 K388 V389 Y427 | D385-Q387 VanDerWaalsContact C-N 3.34Å; D385-Q387 PolarHBondContact O-N 3.48Å; D385-K388 WeakPolarHBondContact O-CB 3.34Å; D385-K388 PolarHBondContact O-N 2.91Å; D385-K388 IonicContact OD1-NZ 3.65Å; D385-V389 WeakPolarHBondContact O-CG2 3.45Å; D385-V389 PolarHBondContact O-N 3.12Å; D385-Y427 HydrophobicContact CB-CD2 4.41Å; D385-Y427 HydrophobicContact CB-CE2 3.9Å |
| 386 | Y | 90.6 | Very high | 92 | Very high | 137 Ų | 137 | 33.2 Ų | 33.2 | 54% | 0.537 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64 | -38.6 | 177.8 | 75.2 | -89.6 | 0 | 0 | 0 | 112.1 | P384 V389 E390 | P384-Y386 VanDerWaalsContact C-N 3.26Å; P384-Y386 HydrophobicContact CB-CD1 3.61Å; P384-Y386 HydrophobicContact CB-CE1 3.38Å; P384-Y386 HydrophobicContact CG-CE1 3.88Å; P384-Y386 PolarHBondContact O-N 3.45Å; P384-Y386 VanDerWaalsContact O-N 3.14Å; Y386-V389 PolarHBondContact O-N 3.5Å; Y386-E390 WeakPolarHBondContact O-CG 3.27Å; Y386-E390 PolarHBondContact O-N 3.46Å |
| 387 | Q | 91.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.9 | -35.6 | 176.6 | -65.5 | -172.1 | -25.8 | 0 | 0 | 111.5 | L383 P384 D385 V389 E390 I391 | L383-Q387 HydrophobicContact CB-CB 4.12Å; L383-Q387 HydrophobicContact CD1-CB 4.4Å; P384-Q387 PolarHBondContact O-N 2.98Å; D385-Q387 VanDerWaalsContact C-N 3.34Å; D385-Q387 PolarHBondContact O-N 3.48Å; Q387-V389 VanDerWaalsContact C-N 3.29Å; Q387-V389 PolarHBondContact O-N 3.36Å; Q387-E390 PolarHBondContact O-N 3.28Å; Q387-I391 WeakPolarHBondContact O-CB 3.46Å; Q387-I391 VanDerWaalsContact O-CG1 3.31Å; Q387-I391 WeakPolarHBondContact O-CG1 3.36Å; Q387-I391 PolarHBondContact O-N 2.97Å |
| 388 | K | 93.1 | Very high | 91.5 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.5 | -46.2 | 172.1 | -68 | 176.3 | 172.1 | 170.3 | 0 | 110.5 | A380 D381 L383 P384 D385 I391 M392 K426 Y427 | A380-K388 WeakPolarHBondContact O-CE 3.24Å; A380-K388 WeakPolarHBondContact O-CG 3.3Å; D381-K388 WeakPolarHBondContact O-CE 3.44Å; D381-K388 PolarHBondContact O-NZ 3Å; D381-K388 VanDerWaalsContact O-NZ 3.16Å; L383-K388 HydrophobicContact CB-CG 4.29Å; L383-K388 WeakPolarHBondContact O-CE 3.49Å; P384-K388 PolarHBondContact O-N 3.42Å; P384-K388 VanDerWaalsContact O-N 3.09Å; D385-K388 WeakPolarHBondContact O-CB 3.34Å; D385-K388 PolarHBondContact O-N 2.91Å; D385-K388 IonicContact OD1-NZ 3.65Å; K388-I391 PolarHBondContact O-N 2.91Å; K388-M392 WeakPolarHBondContact O-CG 3.43Å; K388-M392 PolarHBondContact O-N 3.36Å; K388-K426 WeakPolarHBondContact CE-O 3.49Å; K388-K426 PolarHBondContact NZ-O 2.97Å; K388-Y427 HydrophobicContact CB-CD2 4.03Å; K388-Y427 HydrophobicContact CD-CD2 4.21Å |
| 389 | V | 93.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 175.7 | 177 | 0 | 0 | 0 | 0 | 111.6 | D385 Y386 Q387 I391 M392 V393 Y427 V435 | D385-V389 WeakPolarHBondContact O-CG2 3.45Å; D385-V389 PolarHBondContact O-N 3.12Å; Y386-V389 PolarHBondContact O-N 3.5Å; Q387-V389 VanDerWaalsContact C-N 3.29Å; Q387-V389 PolarHBondContact O-N 3.36Å; V389-I391 VanDerWaalsContact C-N 3.31Å; V389-I391 PolarHBondContact O-N 2.91Å; V389-M392 HydrophobicContact CG2-CE 4.14Å; V389-M392 PolarHBondContact O-N 2.9Å; V389-V393 HydrophobicContact CG1-CG2 4.43Å; V389-V393 WeakPolarHBondContact O-CG2 3.43Å; V389-V393 PolarHBondContact O-N 2.85Å; V389-Y427 HydrophobicContact CG2-CD2 4.31Å; V389-Y427 HydrophobicContact CG2-CE2 3.67Å; V389-V435 HydrophobicContact CG2-CB 4.08Å; V389-V435 HydrophobicContact CG2-CG2 4.07Å |
| 390 | E | 92.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 39.3 Ų | 39.3 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.8 | -71.6 | -179.3 | 170.8 | 0 | 0 | 112.6 | F337 Y386 Q387 V393 F394 | F337-E390 HydrophobicContact CE1-CB 4.41Å; F337-E390 HydrophobicContact CZ-CB 3.88Å; Y386-E390 WeakPolarHBondContact O-CG 3.27Å; Y386-E390 PolarHBondContact O-N 3.46Å; Q387-E390 PolarHBondContact O-N 3.28Å; E390-V393 PolarHBondContact O-N 2.94Å; E390-F394 VanDerWaalsContact O-CB 3.25Å; E390-F394 WeakPolarHBondContact O-CB 3.31Å; E390-F394 PolarHBondContact O-N 2.99Å |
| 391 | I | 92.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 175.3 | -72.6 | 162.3 | 0 | 0 | 0 | 111 | I336 F337 F340 L383 Q387 K388 V389 V393 F394 I395 V423 | I336-I391 HydrophobicContact CG2-CD1 4.1Å; F337-I391 HydrophobicContact CE1-CG1 4.37Å; F340-I391 HydrophobicContact CD1-CG2 3.74Å; F340-I391 HydrophobicContact CD2-CD1 4.11Å; F340-I391 HydrophobicContact CD2-CG1 4.49Å; F340-I391 HydrophobicContact CE1-CD1 4.4Å; F340-I391 HydrophobicContact CE1-CG2 3.55Å; F340-I391 HydrophobicContact CE2-CD1 3.65Å; F340-I391 HydrophobicContact CE2-CG1 4.44Å; F340-I391 HydrophobicContact CG-CG2 4.37Å; F340-I391 HydrophobicContact CZ-CD1 3.82Å; F340-I391 HydrophobicContact CZ-CG2 4.04Å; L383-I391 HydrophobicContact CD1-CD1 3.11Å; Q387-I391 WeakPolarHBondContact O-CB 3.46Å; Q387-I391 VanDerWaalsContact O-CG1 3.31Å; Q387-I391 WeakPolarHBondContact O-CG1 3.36Å; Q387-I391 PolarHBondContact O-N 2.97Å; K388-I391 PolarHBondContact O-N 2.91Å; V389-I391 VanDerWaalsContact C-N 3.31Å; V389-I391 PolarHBondContact O-N 2.91Å; I391-V393 VanDerWaalsContact C-N 3.35Å; I391-V393 PolarHBondContact O-N 3.25Å; I391-F394 WeakPolarHBondContact O-CB 3.09Å; I391-F394 PolarHBondContact O-N 2.84Å; I391-I395 HydrophobicContact CG2-CD1 3.74Å; I391-I395 HydrophobicContact CG2-CG1 4.3Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.39Å; I391-I395 PolarHBondContact O-N 2.64Å; I391-V423 HydrophobicContact CG2-CG1 4.3Å |
| 392 | M | 95.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 174.5 | -73.2 | -172.2 | -72.7 | 0 | 0 | 111.6 | K388 V389 F394 I395 I396 L420 V423 A424 Y427 V435 F440 L466 | K388-M392 WeakPolarHBondContact O-CG 3.43Å; K388-M392 PolarHBondContact O-N 3.36Å; V389-M392 HydrophobicContact CG2-CE 4.14Å; V389-M392 PolarHBondContact O-N 2.9Å; M392-F394 VanDerWaalsContact C-N 3.3Å; M392-F394 PolarHBondContact O-N 3.48Å; M392-I395 PolarHBondContact O-N 3.23Å; M392-I396 PolarHBondContact O-N 3.12Å; M392-L420 HydrophobicContact CB-CD1 3.78Å; M392-L420 HydrophobicContact CG-CD1 3.8Å; M392-V423 HydrophobicContact CG-CG1 3.81Å; M392-A424 HydrophobicContact SD-CB 3.98Å; M392-Y427 HydrophobicContact CE-CD1 4.19Å; M392-Y427 HydrophobicContact CE-CD2 4.3Å; M392-Y427 HydrophobicContact CE-CG 3.91Å; M392-V435 HydrophobicContact CE-CG2 3.6Å; M392-F440 HydrophobicContact CB-CD2 4.35Å; M392-F440 HydrophobicContact CB-CE2 3.83Å; M392-L466 HydrophobicContact CE-CD2 4.39Å; M392-L466 HydrophobicContact SD-CD2 4.17Å |
| 393 | V | 93.9 | Very high | 86.2 | Confident | 44 Ų | 44 | 47.1 Ų | 47.1 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 173.2 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | V389 E390 I391 I396 G397 F440 | V389-V393 HydrophobicContact CG1-CG2 4.43Å; V389-V393 WeakPolarHBondContact O-CG2 3.43Å; V389-V393 PolarHBondContact O-N 2.85Å; E390-V393 PolarHBondContact O-N 2.94Å; I391-V393 VanDerWaalsContact C-N 3.35Å; I391-V393 PolarHBondContact O-N 3.25Å; V393-I396 WeakPolarHBondContact O-CG2 3.46Å; V393-G397 PolarHBondContact O-N 3.44Å; V393-F440 HydrophobicContact CG2-CB 4.12Å; V393-F440 HydrophobicContact CG2-CD2 4.22Å |
| 394 | F | 92.6 | Very high | 84.5 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 21% | 0.211 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 177 | -179.6 | -104.6 | 0 | 0 | 0 | 111.9 | F337 N341 L344 E390 I391 M392 G397 K398 | F337-F394 HydrophobicContact CD1-CB 4.44Å; F337-F394 HydrophobicContact CD1-CD1 4.44Å; F337-F394 HydrophobicContact CD1-CD2 4.22Å; F337-F394 HydrophobicContact CD1-CG 4.12Å; F337-F394 HydrophobicContact CE1-CB 4.17Å; F337-F394 HydrophobicContact CE1-CG 4.34Å; N341-F394 HydrophobicContact CB-CE1 4.04Å; N341-F394 HydrophobicContact CB-CZ 3.76Å; L344-F394 HydrophobicContact CD1-CD1 4.09Å; L344-F394 HydrophobicContact CD1-CE1 3.81Å; E390-F394 VanDerWaalsContact O-CB 3.25Å; E390-F394 WeakPolarHBondContact O-CB 3.31Å; E390-F394 PolarHBondContact O-N 2.99Å; I391-F394 WeakPolarHBondContact O-CB 3.09Å; I391-F394 PolarHBondContact O-N 2.84Å; M392-F394 VanDerWaalsContact C-N 3.3Å; M392-F394 PolarHBondContact O-N 3.48Å; F394-G397 PolarHBondContact O-N 3.18Å; F394-K398 VanDerWaalsContact CZ-CE 3.42Å; F394-K398 VanDerWaalsContact O-CG 3.24Å; F394-K398 WeakPolarHBondContact O-CG 3.36Å; F394-K398 PolarHBondContact O-N 3.43Å |
| 395 | I | 93.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 177.4 | -66 | 163.1 | 0 | 0 | 0 | 110.1 | L344 I391 M392 G397 K398 L399 T419 L420 V423 | L344-I395 HydrophobicContact CD1-CG1 4.1Å; L344-I395 HydrophobicContact CD2-CG1 4.36Å; I391-I395 HydrophobicContact CG2-CD1 3.74Å; I391-I395 HydrophobicContact CG2-CG1 4.3Å; I391-I395 VanDerWaalsContact O-CG1 3.26Å; I391-I395 WeakPolarHBondContact O-CG1 3.39Å; I391-I395 PolarHBondContact O-N 2.64Å; M392-I395 PolarHBondContact O-N 3.23Å; I395-G397 VanDerWaalsContact C-N 3.34Å; I395-G397 PolarHBondContact O-N 2.76Å; I395-K398 WeakPolarHBondContact O-CB 3.47Å; I395-K398 PolarHBondContact O-N 3.05Å; I395-L399 WeakPolarHBondContact O-CD1 3.35Å; I395-T419 HydrophobicContact CD1-CG2 4.22Å; I395-L420 HydrophobicContact CB-CD1 4.32Å; I395-L420 HydrophobicContact CG2-CB 3.9Å; I395-L420 HydrophobicContact CG2-CD1 4.36Å; I395-V423 HydrophobicContact CD1-CB 4.41Å; I395-V423 HydrophobicContact CD1-CG2 3.99Å |
| 396 | I | 91.9 | Very high | 81.8 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.2 | -34.7 | -179.7 | -153.7 | 170.8 | 0 | 0 | 0 | 112.7 | M392 V393 K398 L399 L420 F440 P443 L444 | M392-I396 PolarHBondContact O-N 3.12Å; V393-I396 WeakPolarHBondContact O-CG2 3.46Å; I396-K398 PolarHBondContact O-N 2.84Å; I396-K398 VanDerWaalsContact O-N 3.14Å; I396-L399 PolarHBondContact O-N 3.05Å; I396-L399 VanDerWaalsContact O-N 3.14Å; I396-L420 HydrophobicContact CB-CD2 4.15Å; I396-L420 HydrophobicContact CD1-CD2 4.18Å; I396-L420 HydrophobicContact CG1-CD2 4.22Å; I396-F440 HydrophobicContact CB-CD2 4.47Å; I396-F440 HydrophobicContact CB-CE2 4.42Å; I396-F440 HydrophobicContact CD1-CD2 4.34Å; I396-F440 HydrophobicContact CD1-CE2 4.22Å; I396-F440 WeakPolarHBondContact CD1-O 3.34Å; I396-F440 HydrophobicContact CG2-CD2 3.92Å; I396-F440 HydrophobicContact CG2-CE2 4.35Å; I396-P443 HydrophobicContact CD1-CB 3.93Å; I396-P443 HydrophobicContact CG1-CB 4.05Å; I396-L444 HydrophobicContact CD1-CB 3.6Å; I396-L444 HydrophobicContact CD1-CD1 4.12Å; I396-L444 HydrophobicContact CD1-CG 4.43Å |
| 397 | G | 89.5 | Confident | 80.6 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 67% | 0.67 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -10.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V393 F394 I395 | V393-G397 PolarHBondContact O-N 3.44Å; F394-G397 PolarHBondContact O-N 3.18Å; I395-G397 VanDerWaalsContact C-N 3.34Å; I395-G397 PolarHBondContact O-N 2.76Å |
| 398 | K | 87.9 | Confident | 79.5 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -3.6 | 176.9 | -70.4 | -69.3 | -180 | 175.5 | 0 | 112.9 | N341 L344 R348 F394 I395 I396 | N341-K398 PolarHBondContact OD1-NZ 3.04Å; L344-K398 HydrophobicContact CD1-CG 4.41Å; R348-K398 VanDerWaalsContact NH2-CB 3.33Å; R348-K398 PolarHBondContact NH2-O 3.22Å; F394-K398 VanDerWaalsContact CZ-CE 3.42Å; F394-K398 VanDerWaalsContact O-CG 3.24Å; F394-K398 WeakPolarHBondContact O-CG 3.36Å; F394-K398 PolarHBondContact O-N 3.43Å; I395-K398 WeakPolarHBondContact O-CB 3.47Å; I395-K398 PolarHBondContact O-N 3.05Å; I396-K398 PolarHBondContact O-N 2.84Å; I396-K398 VanDerWaalsContact O-N 3.14Å |
| 399 | L | 84.2 | Confident | 78.8 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73.4 | 136.5 | 176.1 | -95.9 | 71 | 0 | 0 | 0 | 111.7 | I395 I396 S401 L416 M417 M447 | I395-L399 WeakPolarHBondContact O-CD1 3.35Å; I396-L399 PolarHBondContact O-N 3.05Å; I396-L399 VanDerWaalsContact O-N 3.14Å; L399-S401 PolarHBondContact O-N 2.91Å; L399-L416 HydrophobicContact CD1-CB 3.61Å; L399-L416 HydrophobicContact CD1-CD1 3.98Å; L399-L416 HydrophobicContact CD1-CG 4.45Å; L399-L416 HydrophobicContact CG-CB 4.32Å; L399-L416 HydrophobicContact CG-CD1 4.37Å; L399-M417 HydrophobicContact CD2-CG 3.88Å; L399-M417 HydrophobicContact CD2-SD 3.5Å; L399-M417 VanDerWaalsContact CD2-SD 3.5Å; L399-M447 HydrophobicContact CD2-CE 3.87Å; L399-M447 HydrophobicContact CD2-CG 3.66Å; L399-M447 HydrophobicContact CD2-SD 3.8Å |
| 400 | P | 76.7 | Confident | 78.2 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 21% | 0.208 | 33% | 0.333 | C | S | . | . | trans | -66.5 | 116.3 | 170.7 | 27.7 | -31.3 | 0 | 0 | 0 | 109.1 | N402 L412 Q413 | P400-N402 VanDerWaalsContact C-N 3.33Å; P400-N402 PolarHBondContact O-N 2.86Å; P400-L412 HydrophobicContact CG-CD2 4.27Å; P400-Q413 HydrophobicContact CG-CG 3.72Å; P400-Q413 PolarHBondContact O-NE2 3.15Å; P400-Q413 VanDerWaalsContact O-NE2 3.15Å | ||
| 401 | S | 65.1 | Low | 77.5 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 76% | 0.762 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.9 | -23 | -172.8 | -42.7 | 0 | 0 | 0 | 0 | 113.7 | L399 | L399-S401 PolarHBondContact O-N 2.91Š|
| 402 | N | 59.9 | Low | 77.2 | Confident | 125 Ų | 125 | 58.5 Ų | 58.5 | 67% | 0.668 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -103.1 | 128.7 | 177.7 | -67.2 | -2.6 | 0 | 0 | 0 | 107.8 | P400 T404 | P400-N402 VanDerWaalsContact C-N 3.33Å; P400-N402 PolarHBondContact O-N 2.86Å; N402-T404 PolarHBondContact O-N 2.92Å; N402-T404 PolarHBondContact O-OG1 3.33Å |
| 403 | T | 55.4 | Low | 76.8 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | trans | -65.8 | 75.5 | 161.3 | 46.3 | 0 | 0 | 0 | 0 | 108 | D405 V450 | T403-D405 PolarHBondContact O-N 2.95Å; T403-V450 HydrophobicContact CG2-CB 4.3Å; T403-V450 HydrophobicContact CG2-CG1 3.64Å; T403-V450 HydrophobicContact CG2-CG2 3.99Å | ||
| 404 | T | 53.6 | Low | 76.6 | Confident | 64 Ų | 64 | 59 Ų | 59 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | trans | -60.9 | 132.3 | 157.5 | 23.4 | 0 | 0 | 0 | 0 | 106.5 | N402 K406 D409 | N402-T404 PolarHBondContact O-N 2.92Å; N402-T404 PolarHBondContact O-OG1 3.33Å; T404-K406 PolarHBondContact O-N 2.99Å; T404-D409 WeakPolarHBondContact CB-OD2 3.27Å; T404-D409 PolarHBondContact OG1-OD2 2.64Å | ||
| 405 | D | 56 | Low | 76.4 | Confident | 143 Ų | 143 | 57 Ų | 57 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -60.7 | 7.3 | -177.3 | -72.6 | -34.8 | 0 | 0 | 0 | 114.4 | T403 L407 | T403-D405 PolarHBondContact O-N 2.95Å; D405-L407 PolarHBondContact O-N 3.34Å |
| 406 | K | 67.5 | Low | 76.3 | Confident | 135 Ų | 135 | 57 Ų | 57 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | trans | -73.2 | 122.1 | 178.1 | -60.7 | -178 | 178.5 | -178.1 | 0 | 109.1 | T404 S408 D409 K410 | T404-K406 PolarHBondContact O-N 2.99Å; K406-S408 PolarHBondContact O-N 2.83Å; K406-S408 VanDerWaalsContact O-N 3.16Å; K406-D409 HydrophobicContact CB-CB 4.49Å; K406-D409 PolarHBondContact O-N 2.9Å; K406-K410 PolarHBondContact O-N 3.39Å | ||
| 407 | L | 66 | Low | 76.4 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -50.3 | -39.6 | 174.2 | -69.5 | 170 | 0 | 0 | 0 | 111.8 | D405 D409 K410 F411 | D405-L407 PolarHBondContact O-N 3.34Å; L407-D409 VanDerWaalsContact C-N 3.26Å; L407-D409 PolarHBondContact O-N 3.17Å; L407-K410 WeakPolarHBondContact O-CB 3.5Å; L407-K410 PolarHBondContact O-N 3.33Å; L407-K410 VanDerWaalsContact O-N 3.12Å; L407-F411 HydrophobicContact CB-CE2 4.49Å; L407-F411 WeakPolarHBondContact O-CD2 3.29Å; L407-F411 PolarHBondContact O-N 3.41Å |
| 408 | S | 68 | Low | 76.7 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.9 | -36.8 | 176.1 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | K406 L412 | K406-S408 PolarHBondContact O-N 2.83Å; K406-S408 VanDerWaalsContact O-N 3.16Å; S408-L412 WeakPolarHBondContact O-CB 3.5Å; S408-L412 PolarHBondContact O-N 3.35Å |
| 409 | D | 79.6 | Confident | 77 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74 | -34.3 | 179.9 | -67.7 | -35.8 | 0 | 0 | 0 | 111.2 | T404 K406 L407 L412 Q413 | T404-D409 WeakPolarHBondContact CB-OD2 3.27Å; T404-D409 PolarHBondContact OG1-OD2 2.64Å; K406-D409 HydrophobicContact CB-CB 4.49Å; K406-D409 PolarHBondContact O-N 2.9Å; L407-D409 VanDerWaalsContact C-N 3.26Å; L407-D409 PolarHBondContact O-N 3.17Å; D409-L412 PolarHBondContact O-N 2.8Å; D409-Q413 WeakPolarHBondContact O-CB 3.36Å; D409-Q413 VanDerWaalsContact O-CG 3.24Å; D409-Q413 WeakPolarHBondContact O-CG 3.5Å; D409-Q413 PolarHBondContact O-N 2.87Å |
| 410 | K | 79.6 | Confident | 77.6 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.265 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -49.2 | 173 | -65.7 | -174.7 | 177.7 | -178.5 | 0 | 111.2 | K406 L407 L412 Q413 H414 | K406-K410 PolarHBondContact O-N 3.39Å; L407-K410 WeakPolarHBondContact O-CB 3.5Å; L407-K410 PolarHBondContact O-N 3.33Å; L407-K410 VanDerWaalsContact O-N 3.12Å; K410-L412 VanDerWaalsContact C-N 3.28Å; K410-L412 PolarHBondContact O-N 2.94Å; K410-Q413 PolarHBondContact O-N 3.4Å; K410-H414 PolarHBondContact O-N 3.37Å |
| 411 | F | 80.1 | Confident | 78.6 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 173.7 | -79.8 | -72.2 | 0 | 0 | 0 | 111.5 | L407 H414 V415 | L407-F411 HydrophobicContact CB-CE2 4.49Å; L407-F411 WeakPolarHBondContact O-CD2 3.29Å; L407-F411 PolarHBondContact O-N 3.41Å; F411-H414 PolarHBondContact O-N 3.5Å; F411-V415 WeakPolarHBondContact O-CG2 3.47Å; F411-V415 PolarHBondContact O-N 3.12Å |
| 412 | L | 84.9 | Confident | 80 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 177.5 | 178.8 | 62.2 | 0 | 0 | 0 | 112.4 | R348 P400 S408 D409 K410 H414 V415 L416 | R348-L412 HydrophobicContact CB-CD1 3.86Å; R348-L412 HydrophobicContact CG-CD1 3.48Å; R348-L412 VanDerWaalsContact CG-CD1 3.48Å; P400-L412 HydrophobicContact CG-CD2 4.27Å; S408-L412 WeakPolarHBondContact O-CB 3.5Å; S408-L412 PolarHBondContact O-N 3.35Å; D409-L412 PolarHBondContact O-N 2.8Å; K410-L412 VanDerWaalsContact C-N 3.28Å; K410-L412 PolarHBondContact O-N 2.94Å; L412-H414 VanDerWaalsContact C-N 3.32Å; L412-H414 PolarHBondContact O-N 3.33Å; L412-V415 PolarHBondContact O-N 2.88Å; L412-L416 HydrophobicContact CD1-CD1 3.73Å; L412-L416 HydrophobicContact CD1-CD2 4.44Å; L412-L416 HydrophobicContact CD1-CG 3.82Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.33Å; L412-L416 WeakPolarHBondContact O-CB 3.4Å; L412-L416 VanDerWaalsContact O-CG 3.24Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 2.89Å |
| 413 | Q | 87.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 174.3 | -75 | 171 | -3.2 | 0 | 0 | 110.4 | P400 D409 K410 L416 M417 M447 V455 | P400-Q413 HydrophobicContact CG-CG 3.72Å; P400-Q413 PolarHBondContact O-NE2 3.15Å; P400-Q413 VanDerWaalsContact O-NE2 3.15Å; D409-Q413 WeakPolarHBondContact O-CB 3.36Å; D409-Q413 VanDerWaalsContact O-CG 3.24Å; D409-Q413 WeakPolarHBondContact O-CG 3.5Å; D409-Q413 PolarHBondContact O-N 2.87Å; K410-Q413 PolarHBondContact O-N 3.4Å; Q413-L416 PolarHBondContact O-N 2.89Å; Q413-M417 WeakPolarHBondContact O-CB 3.32Å; Q413-M417 WeakPolarHBondContact O-CG 3.24Å; Q413-M417 PolarHBondContact O-N 2.95Å; Q413-M447 HydrophobicContact CB-CE 4.03Å; Q413-M447 HydrophobicContact CG-CE 3.79Å; Q413-V455 HydrophobicContact CB-CG2 4.18Å |
| 414 | H | 88.4 | Confident | 83.7 | Confident | 54 Ų | 54 | 42.8 Ų | 42.8 | 25% | 0.25 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -50.7 | 179.6 | -163.5 | 101.3 | 0 | 0 | 0 | 112.3 | K410 F411 L412 L416 M417 R418 V455 | K410-H414 PolarHBondContact O-N 3.37Å; F411-H414 PolarHBondContact O-N 3.5Å; L412-H414 VanDerWaalsContact C-N 3.32Å; L412-H414 PolarHBondContact O-N 3.33Å; H414-L416 PolarHBondContact O-N 3.45Å; H414-M417 PolarHBondContact O-N 2.84Å; H414-R418 WeakPolarHBondContact O-CB 3.3Å; H414-R418 PolarHBondContact O-N 2.94Å; H414-V455 HydrophobicContact CB-CG2 4.07Å |
| 415 | V | 88.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | -179.2 | 173 | 0 | 0 | 0 | 0 | 111.8 | L347 A351 I373 F411 L412 R418 T419 | L347-V415 HydrophobicContact CB-CG1 4.06Å; L347-V415 HydrophobicContact CD1-CG1 4.13Å; L347-V415 HydrophobicContact CD2-CG1 3.94Å; L347-V415 HydrophobicContact CG-CG1 4.3Å; A351-V415 HydrophobicContact CB-CG2 4.22Å; I373-V415 HydrophobicContact CD1-CG1 4.5Å; F411-V415 WeakPolarHBondContact O-CG2 3.47Å; F411-V415 PolarHBondContact O-N 3.12Å; L412-V415 PolarHBondContact O-N 2.88Å; V415-R418 PolarHBondContact O-N 3.04Å; V415-T419 PolarHBondContact O-N 2.71Å; V415-T419 PolarHBondContact O-OG1 3.39Å |
| 416 | L | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.7 | -36.1 | 177.4 | -67.5 | 179.3 | 0 | 0 | 0 | 112.1 | L344 L399 L412 Q413 H414 T419 L420 | L344-L416 HydrophobicContact CD2-CD2 3.7Å; L399-L416 HydrophobicContact CD1-CB 3.61Å; L399-L416 HydrophobicContact CD1-CD1 3.98Å; L399-L416 HydrophobicContact CD1-CG 4.45Å; L399-L416 HydrophobicContact CG-CB 4.32Å; L399-L416 HydrophobicContact CG-CD1 4.37Å; L412-L416 HydrophobicContact CD1-CD1 3.73Å; L412-L416 HydrophobicContact CD1-CD2 4.44Å; L412-L416 HydrophobicContact CD1-CG 3.82Å; L412-L416 HydrophobicContact CG-CD1 3.89Å; L412-L416 HydrophobicContact CG-CG 4.33Å; L412-L416 WeakPolarHBondContact O-CB 3.4Å; L412-L416 VanDerWaalsContact O-CG 3.24Å; L412-L416 WeakPolarHBondContact O-CG 3.42Å; L412-L416 PolarHBondContact O-N 2.89Å; Q413-L416 PolarHBondContact O-N 2.89Å; H414-L416 PolarHBondContact O-N 3.45Å; L416-T419 WeakPolarHBondContact O-CB 3.3Å; L416-T419 PolarHBondContact O-N 3.17Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.49Å |
| 417 | M | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 174.8 | -76.3 | -59.9 | -61.1 | 0 | 0 | 112 | L399 Q413 H414 T419 L420 H421 L444 V455 L458 V459 I462 | L399-M417 HydrophobicContact CD2-CG 3.88Å; L399-M417 HydrophobicContact CD2-SD 3.5Å; L399-M417 VanDerWaalsContact CD2-SD 3.5Å; Q413-M417 WeakPolarHBondContact O-CB 3.32Å; Q413-M417 WeakPolarHBondContact O-CG 3.24Å; Q413-M417 PolarHBondContact O-N 2.95Å; H414-M417 PolarHBondContact O-N 2.84Å; M417-T419 VanDerWaalsContact C-N 3.3Å; M417-T419 PolarHBondContact O-N 2.95Å; M417-L420 PolarHBondContact O-N 2.9Å; M417-L420 HydrophobicContact SD-CD2 4.31Å; M417-H421 WeakPolarHBondContact O-CB 3.47Å; M417-H421 PolarHBondContact O-N 3.2Å; M417-L444 HydrophobicContact CE-CD1 3.92Å; M417-V455 HydrophobicContact CG-CG1 4.23Å; M417-L458 HydrophobicContact CB-CB 4.15Å; M417-L458 HydrophobicContact CB-CD1 3.87Å; M417-L458 HydrophobicContact CE-CB 4.36Å; M417-V459 HydrophobicContact CE-CB 4.19Å; M417-V459 HydrophobicContact CE-CG2 3.37Å; M417-I462 HydrophobicContact CE-CD1 3.27Å; M417-I462 HydrophobicContact SD-CD1 4.36Å |
| 418 | R | 95 | Very high | 90.1 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 29% | 0.294 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 173 | -169.8 | 175.9 | 175.5 | -149.7 | -7.5 | 111.3 | D370 I373 H414 V415 H421 K422 L458 | D370-R418 IonicContact OD1-CZ 3.39Å; D370-R418 IonicContact OD1-NH1 3.38Å; D370-R418 PolarHBondContact OD1-NH1 3.42Å; D370-R418 IonicContact OD1-NH2 3.65Å; D370-R418 PolarHBondContact OD1-NH2 3.26Å; D370-R418 IonicContact OD2-CZ 2.79Å; D370-R418 IonicContact OD2-NH1 3Å; D370-R418 IonicContact OD2-NH2 3.77Å; D370-R418 PolarHBondContact OD2-NH2 2.92Å; I373-R418 HydrophobicContact CD1-CB 4.41Å; I373-R418 HydrophobicContact CD1-CG 4.21Å; H414-R418 WeakPolarHBondContact O-CB 3.3Å; H414-R418 PolarHBondContact O-N 2.94Å; V415-R418 PolarHBondContact O-N 3.04Å; R418-H421 PolarHBondContact O-N 3.21Å; R418-K422 PolarHBondContact O-N 3.05Å; R418-L458 HydrophobicContact CB-CD1 4.26Å |
| 419 | T | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 172.2 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | L344 L347 I373 M376 I395 V415 L416 M417 H421 K422 V423 | L344-T419 HydrophobicContact CD2-CG2 4.14Å; L347-T419 WeakPolarHBondContact CD1-OG1 3.45Å; I373-T419 WeakPolarHBondContact CG1-OG1 3.32Å; M376-T419 HydrophobicContact CE-CG2 3.38Å; M376-T419 HydrophobicContact SD-CG2 3.95Å; I395-T419 HydrophobicContact CD1-CG2 4.22Å; V415-T419 PolarHBondContact O-N 2.71Å; V415-T419 PolarHBondContact O-OG1 3.39Å; L416-T419 WeakPolarHBondContact O-CB 3.3Å; L416-T419 PolarHBondContact O-N 3.17Å; M417-T419 VanDerWaalsContact C-N 3.3Å; M417-T419 PolarHBondContact O-N 2.95Å; T419-H421 VanDerWaalsContact C-N 3.32Å; T419-H421 PolarHBondContact O-N 3.42Å; T419-K422 PolarHBondContact O-N 3.48Å; T419-V423 WeakPolarHBondContact O-CG2 3.48Å; T419-V423 PolarHBondContact O-N 2.83Å |
| 420 | L | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 179.9 | -179.5 | 57.1 | 0 | 0 | 0 | 111.4 | M392 I395 I396 L416 M417 V423 A424 F440 I462 | M392-L420 HydrophobicContact CB-CD1 3.78Å; M392-L420 HydrophobicContact CG-CD1 3.8Å; I395-L420 HydrophobicContact CB-CD1 4.32Å; I395-L420 HydrophobicContact CG2-CB 3.9Å; I395-L420 HydrophobicContact CG2-CD1 4.36Å; I396-L420 HydrophobicContact CB-CD2 4.15Å; I396-L420 HydrophobicContact CD1-CD2 4.18Å; I396-L420 HydrophobicContact CG1-CD2 4.22Å; L416-L420 WeakPolarHBondContact O-CB 3.46Å; L416-L420 PolarHBondContact O-N 3.49Å; M417-L420 PolarHBondContact O-N 2.9Å; M417-L420 HydrophobicContact SD-CD2 4.31Å; L420-V423 PolarHBondContact O-N 3.27Å; L420-A424 WeakPolarHBondContact O-CB 3.23Å; L420-A424 PolarHBondContact O-N 3.26Å; L420-F440 HydrophobicContact CD1-CE2 4.05Å; L420-F440 HydrophobicContact CD1-CZ 4.42Å; L420-F440 HydrophobicContact CD2-CE2 4.17Å; L420-F440 HydrophobicContact CD2-CZ 4.32Å; L420-I462 HydrophobicContact CB-CD1 4.18Å; L420-I462 HydrophobicContact CD2-CD1 4.03Å; L420-I462 HydrophobicContact CG-CD1 3.94Å |
| 421 | H | 97.3 | Very high | 92.1 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 174.8 | -178.5 | -146.2 | 0 | 0 | 0 | 111.6 | M417 R418 T419 V423 A424 T425 L458 Q461 I462 | M417-H421 WeakPolarHBondContact O-CB 3.47Å; M417-H421 PolarHBondContact O-N 3.2Å; R418-H421 PolarHBondContact O-N 3.21Å; T419-H421 VanDerWaalsContact C-N 3.32Å; T419-H421 PolarHBondContact O-N 3.42Å; H421-V423 VanDerWaalsContact C-N 3.32Å; H421-V423 PolarHBondContact O-N 3.4Å; H421-A424 WeakPolarHBondContact O-CB 3.05Å; H421-A424 PolarHBondContact O-N 2.91Å; H421-A424 VanDerWaalsContact O-N 3.09Å; H421-T425 WeakPolarHBondContact O-CG2 3.39Å; H421-T425 PolarHBondContact O-N 2.75Å; H421-L458 HydrophobicContact CB-CD2 4.33Å; H421-Q461 PolarHBondContact CE1-OE1 2.82Å; H421-I462 HydrophobicContact CB-CD1 4.04Å; H421-I462 HydrophobicContact CB-CG1 3.64Å |
| 422 | K | 96.4 | Very high | 92.7 | Very high | 61 Ų | 61 | 34.6 Ų | 34.6 | 27% | 0.265 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 179.6 | -161.6 | 78.6 | -179.6 | -169 | 0 | 112.1 | I373 N374 A377 R418 T419 T425 | I373-K422 HydrophobicContact CG2-CB 3.7Å; I373-K422 HydrophobicContact CG2-CG 3.97Å; N374-K422 WeakPolarHBondContact OD1-CE 3.44Å; N374-K422 PolarHBondContact OD1-NZ 3.49Å; A377-K422 HydrophobicContact CB-CB 4.07Å; A377-K422 HydrophobicContact CB-CG 3.33Å; R418-K422 PolarHBondContact O-N 3.05Å; T419-K422 PolarHBondContact O-N 3.48Å; K422-T425 PolarHBondContact O-N 3.09Å; K422-T425 PolarHBondContact O-OG1 2.92Å |
| 423 | V | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | 174 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | A380 I391 M392 I395 T419 L420 H421 T425 K426 | A380-V423 HydrophobicContact CB-CG1 3.89Å; A380-V423 HydrophobicContact CB-CG2 4.42Å; I391-V423 HydrophobicContact CG2-CG1 4.3Å; M392-V423 HydrophobicContact CG-CG1 3.81Å; I395-V423 HydrophobicContact CD1-CB 4.41Å; I395-V423 HydrophobicContact CD1-CG2 3.99Å; T419-V423 WeakPolarHBondContact O-CG2 3.48Å; T419-V423 PolarHBondContact O-N 2.83Å; L420-V423 PolarHBondContact O-N 3.27Å; H421-V423 VanDerWaalsContact C-N 3.32Å; H421-V423 PolarHBondContact O-N 3.4Å; V423-T425 VanDerWaalsContact C-N 3.28Å; V423-T425 PolarHBondContact O-N 3.01Å; V423-K426 WeakPolarHBondContact O-CB 3.35Å; V423-K426 PolarHBondContact O-N 3.41Å |
| 424 | A | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -34.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M392 L420 H421 K426 Y427 T465 L466 | M392-A424 HydrophobicContact SD-CB 3.98Å; L420-A424 WeakPolarHBondContact O-CB 3.23Å; L420-A424 PolarHBondContact O-N 3.26Å; H421-A424 WeakPolarHBondContact O-CB 3.05Å; H421-A424 PolarHBondContact O-N 2.91Å; H421-A424 VanDerWaalsContact O-N 3.09Å; A424-K426 PolarHBondContact O-N 2.97Å; A424-Y427 PolarHBondContact O-N 3.37Å; A424-T465 HydrophobicContact CB-CG2 4.34Å; A424-L466 HydrophobicContact CB-CD2 4Å; A424-L466 HydrophobicContact CB-CG 4.25Å |
| 425 | T | 95.7 | Very high | 93.1 | Very high | 69 Ų | 69 | 37 Ų | 37 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.3 | 175.2 | 69 | 0 | 0 | 0 | 0 | 114.2 | H421 K422 V423 T465 | H421-T425 WeakPolarHBondContact O-CG2 3.39Å; H421-T425 PolarHBondContact O-N 2.75Å; K422-T425 PolarHBondContact O-N 3.09Å; K422-T425 PolarHBondContact O-OG1 2.92Å; V423-T425 VanDerWaalsContact C-N 3.28Å; V423-T425 PolarHBondContact O-N 3.01Å; T425-T465 HydrophobicContact CG2-CG2 4.32Å |
| 426 | K | 93.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 22% | 0.222 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -0.6 | 178.8 | -56 | -56.1 | -159.7 | 154.9 | 0 | 113.5 | A377 D381 K388 V423 A424 | A377-K426 HydrophobicContact CB-CG 4.36Å; A377-K426 WeakPolarHBondContact O-CG 3.48Å; D381-K426 HydrophobicContact CB-CB 4.25Å; D381-K426 HydrophobicContact CB-CD 4.05Å; D381-K426 HydrophobicContact CB-CG 4.16Å; D381-K426 IonicContact OD2-NZ 3.77Å; D381-K426 PolarHBondContact OD2-NZ 2.59Å; K388-K426 WeakPolarHBondContact CE-O 3.49Å; K388-K426 PolarHBondContact NZ-O 2.97Å; V423-K426 WeakPolarHBondContact O-CB 3.35Å; V423-K426 PolarHBondContact O-N 3.41Å; A424-K426 PolarHBondContact O-N 2.97Å |
| 427 | Y | 95.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 6% | 0.059 | 19% | 0.193 | C | C | . | . | trans | -107.3 | 132.7 | 178 | 178.7 | -100.2 | 0 | 0 | 0 | 110.2 | D385 K388 V389 M392 A424 T429 T434 V435 L466 | D385-Y427 HydrophobicContact CB-CD2 4.41Å; D385-Y427 HydrophobicContact CB-CE2 3.9Å; K388-Y427 HydrophobicContact CB-CD2 4.03Å; K388-Y427 HydrophobicContact CD-CD2 4.21Å; V389-Y427 HydrophobicContact CG2-CD2 4.31Å; V389-Y427 HydrophobicContact CG2-CE2 3.67Å; M392-Y427 HydrophobicContact CE-CD1 4.19Å; M392-Y427 HydrophobicContact CE-CD2 4.3Å; M392-Y427 HydrophobicContact CE-CG 3.91Å; A424-Y427 PolarHBondContact O-N 3.37Å; Y427-T429 HydrophobicContact CE1-CG2 4.42Å; Y427-T429 VanDerWaalsContact CE1-OG1 3.31Å; Y427-T429 WeakPolarHBondContact CE1-OG1 3.4Å; Y427-T434 PolarHBondContact OH-OG1 3.45Å; Y427-V435 HydrophobicContact CD1-CG2 4.31Å; Y427-V435 HydrophobicContact CE1-CB 3.71Å; Y427-V435 HydrophobicContact CE1-CG1 3.83Å; Y427-V435 HydrophobicContact CE1-CG2 3.96Å; Y427-L466 HydrophobicContact CD1-CD2 3.81Å | ||
| 428 | R | 92.4 | Very high | 93.3 | Very high | 170 Ų | 170 | 39.9 Ų | 39.9 | 64% | 0.642 | 20% | 0.203 | S | C | * | . | trans | -105.5 | 111.4 | 173 | -174.3 | 174.2 | -177.6 | 155.1 | 2.9 | 109.3 | S430 | R428-S430 PolarHBondContact O-N 3.41Š| ||
| 429 | T | 92.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | trans | -67.3 | 124 | -179.8 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | Y427 L432 V435 L466 R469 | Y427-T429 HydrophobicContact CE1-CG2 4.42Å; Y427-T429 VanDerWaalsContact CE1-OG1 3.31Å; Y427-T429 WeakPolarHBondContact CE1-OG1 3.4Å; T429-L432 HydrophobicContact CG2-CD2 4.02Å; T429-L432 HydrophobicContact CG2-CG 4.47Å; T429-V435 HydrophobicContact CG2-CG1 4.07Å; T429-L466 VanDerWaalsContact CB-O 3.24Å; T429-L466 WeakPolarHBondContact CB-O 3.32Å; T429-L466 WeakPolarHBondContact CG2-O 3.25Å; T429-L466 PolarHBondContact OG1-O 3.12Å; T429-R469 HydrophobicContact CG2-CG 4.08Å; T429-R469 WeakPolarHBondContact O-CG 3.24Å | ||
| 430 | S | 88.2 | Confident | 93.1 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -92.7 | -54.8 | 166.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | R428 | R428-S430 PolarHBondContact O-N 3.41Š|
| 431 | H | 89.1 | Confident | 93 | Very high | 90 Ų | 90 | 40.8 Ų | 40.8 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | trans | -121.6 | 126.2 | 178.3 | -58.6 | 85.8 | 0 | 0 | 0 | 109.4 | S433 T434 | H431-S433 PolarHBondContact O-N 3Å; H431-T434 HydrophobicContact CB-CG2 3.96Å; H431-T434 PolarHBondContact O-N 2.92Å; H431-T434 VanDerWaalsContact O-N 3.11Å; H431-T434 PolarHBondContact O-OG1 3.07Å | ||
| 432 | L | 92.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -35.6 | -178.1 | -67.4 | 165.2 | 0 | 0 | 0 | 112.1 | T429 T434 V435 L436 V467 F505 L545 | T429-L432 HydrophobicContact CG2-CD2 4.02Å; T429-L432 HydrophobicContact CG2-CG 4.47Å; L432-T434 VanDerWaalsContact C-N 3.26Å; L432-T434 PolarHBondContact O-N 3.26Å; L432-V435 PolarHBondContact O-N 2.94Å; L432-L436 HydrophobicContact CD2-CD1 4.16Å; L432-L436 VanDerWaalsContact O-CB 3.31Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 3.16Å; L432-V467 HydrophobicContact CD2-CB 4.4Å; L432-V467 HydrophobicContact CD2-CG2 4.22Å; L432-F505 HydrophobicContact CB-CB 4.47Å; L432-F505 HydrophobicContact CB-CD1 4.27Å; L432-F505 HydrophobicContact CB-CD2 3.9Å; L432-F505 HydrophobicContact CB-CE2 4.23Å; L432-F505 HydrophobicContact CB-CG 3.93Å; L432-F505 HydrophobicContact CD1-CD1 4.09Å; L432-F505 HydrophobicContact CD1-CE1 4.31Å; L432-L545 HydrophobicContact CD1-CD1 4.21Å; L432-L545 HydrophobicContact CD1-CD2 3.41Å; L432-L545 VanDerWaalsContact CD1-CD2 3.41Å; L432-L545 HydrophobicContact CD1-CG 3.99Å |
| 433 | S | 90.3 | Very high | 92.6 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 38% | 0.378 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.1 | -17 | -179.2 | 60 | 0 | 0 | 0 | 0 | 115.1 | H431 | H431-S433 PolarHBondContact O-N 3Å |
| 434 | T | 89.6 | Confident | 92.6 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -80.4 | -34.7 | 179.4 | 59.6 | 0 | 0 | 0 | 0 | 112 | Y427 H431 L432 | Y427-T434 PolarHBondContact OH-OG1 3.45Å; H431-T434 HydrophobicContact CB-CG2 3.96Å; H431-T434 PolarHBondContact O-N 2.92Å; H431-T434 VanDerWaalsContact O-N 3.11Å; H431-T434 PolarHBondContact O-OG1 3.07Å; L432-T434 VanDerWaalsContact C-N 3.26Å; L432-T434 PolarHBondContact O-N 3.26Å |
| 435 | V | 90.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -98.2 | -48.4 | 179.8 | 65.3 | 0 | 0 | 0 | 0 | 112 | V389 M392 Y427 T429 L432 T437 L466 | V389-V435 HydrophobicContact CG2-CB 4.08Å; V389-V435 HydrophobicContact CG2-CG2 4.07Å; M392-V435 HydrophobicContact CE-CG2 3.6Å; Y427-V435 HydrophobicContact CD1-CG2 4.31Å; Y427-V435 HydrophobicContact CE1-CB 3.71Å; Y427-V435 HydrophobicContact CE1-CG1 3.83Å; Y427-V435 HydrophobicContact CE1-CG2 3.96Å; T429-V435 HydrophobicContact CG2-CG1 4.07Å; L432-V435 PolarHBondContact O-N 2.94Å; V435-T437 PolarHBondContact O-N 3.42Å; V435-L466 HydrophobicContact CG2-CD1 4.1Å; V435-L466 HydrophobicContact CG2-CD2 4.05Å |
| 436 | L | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.1 | 58.6 | 180 | -56.2 | -177.3 | 0 | 0 | 0 | 110.7 | L432 F440 L441 L466 V467 F505 F509 | L432-L436 HydrophobicContact CD2-CD1 4.16Å; L432-L436 VanDerWaalsContact O-CB 3.31Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 3.16Å; L436-F440 HydrophobicContact CD2-CD1 3.91Å; L436-F440 HydrophobicContact CD2-CE1 3.88Å; L436-L441 HydrophobicContact CB-CD2 4.44Å; L436-L466 HydrophobicContact CD2-CB 4.14Å; L436-L466 HydrophobicContact CD2-CD1 3.87Å; L436-V467 HydrophobicContact CD1-CG2 4Å; L436-F505 HydrophobicContact CB-CD2 4.46Å; L436-F505 HydrophobicContact CB-CE2 3.61Å; L436-F505 HydrophobicContact CB-CZ 4.33Å; L436-F505 HydrophobicContact CD1-CE2 3.76Å; L436-F505 HydrophobicContact CD1-CZ 3.65Å; L436-F505 HydrophobicContact CG-CE2 4.32Å; L436-F509 WeakPolarHBondContact O-CE2 3.34Å |
| 437 | T | 92.8 | Very high | 92.2 | Very high | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.239 | 23% | 0.225 | C | C | . | . | trans | -74.6 | 164.5 | 173.3 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | V435 T439 F440 L441 | V435-T437 PolarHBondContact O-N 3.42Å; T437-T439 PolarHBondContact O-N 3.46Å; T437-T439 PolarHBondContact OG1-OG1 3.1Å; T437-F440 PolarHBondContact O-N 3.31Å; T437-L441 WeakPolarHBondContact O-CB 3.29Å; T437-L441 PolarHBondContact O-N 2.92Å | ||
| 438 | S | 91.7 | Very high | 92 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.9 | -39.5 | 177 | -77.6 | 0 | 0 | 0 | 0 | 112.2 | F440 E442 K508 | S438-F440 PolarHBondContact O-N 3.35Å; S438-E442 VanDerWaalsContact CB-OE1 3.25Å; S438-E442 WeakPolarHBondContact CB-OE1 3.43Å; S438-E442 WeakPolarHBondContact O-CB 3.3Å; S438-E442 WeakPolarHBondContact O-CG 3.17Å; S438-E442 PolarHBondContact O-N 2.91Å; S438-E442 PolarHBondContact OG-OE1 2.98Å; S438-K508 WeakPolarHBondContact OG-CE 3.41Å; S438-K508 PolarHBondContact OG-NZ 3.27Å |
| 439 | T | 91.2 | Very high | 91.9 | Very high | 95 Ų | 95 | 38.5 Ų | 38.5 | 58% | 0.583 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.4 | -22.8 | 178.6 | 42.3 | 0 | 0 | 0 | 0 | 113.4 | T437 P443 | T437-T439 PolarHBondContact O-N 3.46Å; T437-T439 PolarHBondContact OG1-OG1 3.1Å; T439-P443 WeakPolarHBondContact O-CG 3.29Å |
| 440 | F | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -98.4 | -51.9 | 177.2 | -177.3 | -100.2 | 0 | 0 | 0 | 111.9 | M392 V393 I396 L420 L436 T437 S438 P443 L444 I462 L466 | M392-F440 HydrophobicContact CB-CD2 4.35Å; M392-F440 HydrophobicContact CB-CE2 3.83Å; V393-F440 HydrophobicContact CG2-CB 4.12Å; V393-F440 HydrophobicContact CG2-CD2 4.22Å; I396-F440 HydrophobicContact CB-CD2 4.47Å; I396-F440 HydrophobicContact CB-CE2 4.42Å; I396-F440 HydrophobicContact CD1-CD2 4.34Å; I396-F440 HydrophobicContact CD1-CE2 4.22Å; I396-F440 WeakPolarHBondContact CD1-O 3.34Å; I396-F440 HydrophobicContact CG2-CD2 3.92Å; I396-F440 HydrophobicContact CG2-CE2 4.35Å; L420-F440 HydrophobicContact CD1-CE2 4.05Å; L420-F440 HydrophobicContact CD1-CZ 4.42Å; L420-F440 HydrophobicContact CD2-CE2 4.17Å; L420-F440 HydrophobicContact CD2-CZ 4.32Å; L436-F440 HydrophobicContact CD2-CD1 3.91Å; L436-F440 HydrophobicContact CD2-CE1 3.88Å; T437-F440 PolarHBondContact O-N 3.31Å; S438-F440 PolarHBondContact O-N 3.35Å; F440-P443 WeakPolarHBondContact O-CD 3.35Å; F440-L444 HydrophobicContact CD1-CD2 4.46Å; F440-L444 HydrophobicContact CE1-CD2 3.7Å; F440-L444 HydrophobicContact CZ-CD2 4.14Å; F440-L444 WeakPolarHBondContact O-CB 3.34Å; F440-L444 PolarHBondContact O-N 3.45Å; F440-I462 HydrophobicContact CZ-CG2 4.24Å; F440-L466 HydrophobicContact CE1-CD1 3.47Å; F440-L466 VanDerWaalsContact CE1-CD1 3.47Å; F440-L466 HydrophobicContact CZ-CD1 3.75Å |
| 441 | L | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72 | -40.8 | -169.9 | -176.3 | 59.6 | 0 | 0 | 0 | 112.5 | L436 T437 L444 L445 L463 F505 F509 L513 | L436-L441 HydrophobicContact CB-CD2 4.44Å; T437-L441 WeakPolarHBondContact O-CB 3.29Å; T437-L441 PolarHBondContact O-N 2.92Å; L441-L444 WeakPolarHBondContact O-CB 3.45Å; L441-L444 PolarHBondContact O-N 3.32Å; L441-L445 HydrophobicContact CD1-CD1 4.06Å; L441-L445 HydrophobicContact CD1-CD2 4.07Å; L441-L445 HydrophobicContact CD1-CG 3.84Å; L441-L445 HydrophobicContact CD2-CD1 4.45Å; L441-L445 HydrophobicContact CG-CD1 3.89Å; L441-L445 HydrophobicContact CG-CG 4.1Å; L441-L445 VanDerWaalsContact O-CG 3.3Å; L441-L445 WeakPolarHBondContact O-CG 3.16Å; L441-L445 PolarHBondContact O-N 3.3Å; L441-L463 HydrophobicContact CD1-CD2 3.62Å; L441-F505 HydrophobicContact CD2-CE2 4.4Å; L441-F509 HydrophobicContact CD2-CB 3.73Å; L441-F509 HydrophobicContact CD2-CD1 3.63Å; L441-F509 HydrophobicContact CD2-CD2 4.09Å; L441-F509 HydrophobicContact CD2-CE1 4.18Å; L441-F509 HydrophobicContact CD2-CG 3.56Å; L441-L513 HydrophobicContact CD1-CD2 4.17Å; L441-L513 HydrophobicContact CD2-CD2 4.47Å |
| 442 | E | 92.5 | Very high | 91.5 | Very high | 81 Ų | 81 | 36.8 Ų | 36.8 | 38% | 0.379 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.4 | -46.5 | -178 | -64.3 | 168 | -157.5 | 0 | 0 | 112.4 | S438 L444 L445 R446 | S438-E442 VanDerWaalsContact CB-OE1 3.25Å; S438-E442 WeakPolarHBondContact CB-OE1 3.43Å; S438-E442 WeakPolarHBondContact O-CB 3.3Å; S438-E442 WeakPolarHBondContact O-CG 3.17Å; S438-E442 PolarHBondContact O-N 2.91Å; S438-E442 PolarHBondContact OG-OE1 2.98Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 2.87Å; E442-L445 PolarHBondContact O-N 3.44Å; E442-R446 WeakPolarHBondContact O-CG 3.3Å; E442-R446 PolarHBondContact O-N 2.93Å; E442-R446 VanDerWaalsContact O-N 3.16Å; E442-R446 IonicContact OE2-NH2 3.92Å |
| 443 | P | 92.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -38.8 | 171 | -24.1 | 34.9 | 0 | 0 | 0 | 113 | I396 T439 F440 L445 R446 M447 | I396-P443 HydrophobicContact CD1-CB 3.93Å; I396-P443 HydrophobicContact CG1-CB 4.05Å; T439-P443 WeakPolarHBondContact O-CG 3.29Å; F440-P443 WeakPolarHBondContact O-CD 3.35Å; P443-L445 PolarHBondContact O-N 3.33Å; P443-R446 PolarHBondContact O-N 3.36Å; P443-M447 PolarHBondContact O-N 3.16Å |
| 444 | L | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 179.3 | -173.1 | 62.7 | 0 | 0 | 0 | 111.8 | I396 M417 F440 L441 E442 R446 M447 S448 V459 I462 L463 | I396-L444 HydrophobicContact CD1-CB 3.6Å; I396-L444 HydrophobicContact CD1-CD1 4.12Å; I396-L444 HydrophobicContact CD1-CG 4.43Å; M417-L444 HydrophobicContact CE-CD1 3.92Å; F440-L444 HydrophobicContact CD1-CD2 4.46Å; F440-L444 HydrophobicContact CE1-CD2 3.7Å; F440-L444 HydrophobicContact CZ-CD2 4.14Å; F440-L444 WeakPolarHBondContact O-CB 3.34Å; F440-L444 PolarHBondContact O-N 3.45Å; L441-L444 WeakPolarHBondContact O-CB 3.45Å; L441-L444 PolarHBondContact O-N 3.32Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 2.87Å; L444-R446 VanDerWaalsContact C-N 3.31Å; L444-R446 PolarHBondContact O-N 3.43Å; L444-M447 WeakPolarHBondContact O-CB 3.21Å; L444-M447 PolarHBondContact O-N 3.04Å; L444-M447 VanDerWaalsContact O-N 3.11Å; L444-S448 PolarHBondContact O-N 3.22Å; L444-V459 HydrophobicContact CD1-CB 4.4Å; L444-V459 HydrophobicContact CD1-CG1 3.94Å; L444-V459 HydrophobicContact CD1-CG2 4.2Å; L444-V459 HydrophobicContact CG-CG1 3.94Å; L444-V459 WeakPolarHBondContact O-CG1 3.31Å; L444-I462 HydrophobicContact CD1-CD1 4.31Å; L444-I462 HydrophobicContact CD1-CG2 4.31Å; L444-I462 HydrophobicContact CD2-CG2 3.89Å; L444-L463 HydrophobicContact CD2-CD2 3.7Å; L444-L463 HydrophobicContact CD2-CG 3.89Å |
| 445 | L | 93.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70 | -25.4 | 178.3 | -64.1 | 179.9 | 0 | 0 | 0 | 113.3 | L441 E442 P443 M447 S448 L463 S512 L513 T516 | L441-L445 HydrophobicContact CD1-CD1 4.06Å; L441-L445 HydrophobicContact CD1-CD2 4.07Å; L441-L445 HydrophobicContact CD1-CG 3.84Å; L441-L445 HydrophobicContact CD2-CD1 4.45Å; L441-L445 HydrophobicContact CG-CD1 3.89Å; L441-L445 HydrophobicContact CG-CG 4.1Å; L441-L445 VanDerWaalsContact O-CG 3.3Å; L441-L445 WeakPolarHBondContact O-CG 3.16Å; L441-L445 PolarHBondContact O-N 3.3Å; E442-L445 PolarHBondContact O-N 3.44Å; P443-L445 PolarHBondContact O-N 3.33Å; L445-M447 VanDerWaalsContact C-N 3.32Å; L445-S448 WeakPolarHBondContact CA-OG 3.46Å; L445-S448 PolarHBondContact O-N 3.11Å; L445-S448 PolarHBondContact O-OG 3.37Å; L445-L463 HydrophobicContact CD2-CD1 3.95Å; L445-S512 VanDerWaalsContact CD1-OG 3.25Å; L445-S512 WeakPolarHBondContact CD1-OG 3.35Å; L445-L513 HydrophobicContact CD1-CD2 4.28Å; L445-L513 HydrophobicContact CD2-CD2 3.89Å; L445-T516 HydrophobicContact CB-CG2 4.18Å; L445-T516 HydrophobicContact CD2-CG2 3.88Å |
| 446 | R | 91.3 | Very high | 91.9 | Very high | 156 Ų | 156 | 33.1 Ų | 33.1 | 59% | 0.589 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.9 | -37.3 | 169.5 | -69.3 | 179.1 | -166.6 | 117.7 | 8.4 | 111.2 | E442 P443 L444 S448 L449 | E442-R446 WeakPolarHBondContact O-CG 3.3Å; E442-R446 PolarHBondContact O-N 2.93Å; E442-R446 VanDerWaalsContact O-N 3.16Å; E442-R446 IonicContact OE2-NH2 3.92Å; P443-R446 PolarHBondContact O-N 3.36Å; L444-R446 VanDerWaalsContact C-N 3.31Å; L444-R446 PolarHBondContact O-N 3.43Å; R446-S448 VanDerWaalsContact C-N 3.28Å; R446-S448 PolarHBondContact O-N 2.93Å; R446-L449 PolarHBondContact O-N 3.35Å |
| 447 | M | 91.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.8 | -24.3 | 178.5 | -65.7 | -54.4 | -56.4 | 0 | 0 | 113.6 | L399 Q413 P443 L444 L445 L449 V450 V455 V459 | L399-M447 HydrophobicContact CD2-CE 3.87Å; L399-M447 HydrophobicContact CD2-CG 3.66Å; L399-M447 HydrophobicContact CD2-SD 3.8Å; Q413-M447 HydrophobicContact CB-CE 4.03Å; Q413-M447 HydrophobicContact CG-CE 3.79Å; P443-M447 PolarHBondContact O-N 3.16Å; L444-M447 WeakPolarHBondContact O-CB 3.21Å; L444-M447 PolarHBondContact O-N 3.04Å; L444-M447 VanDerWaalsContact O-N 3.11Å; L445-M447 VanDerWaalsContact C-N 3.32Å; M447-L449 PolarHBondContact O-N 3.2Å; M447-V450 HydrophobicContact CE-CG2 3.83Å; M447-V450 PolarHBondContact O-N 2.93Å; M447-V450 HydrophobicContact SD-CG2 4.13Å; M447-V455 HydrophobicContact CE-CG1 3.68Å; M447-V459 HydrophobicContact CB-CG2 3.59Å |
| 448 | S | 91.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -5.9 | 174 | 37.4 | 0 | 0 | 0 | 0 | 114.4 | L444 L445 R446 R456 T516 | L444-S448 PolarHBondContact O-N 3.22Å; L445-S448 WeakPolarHBondContact CA-OG 3.46Å; L445-S448 PolarHBondContact O-N 3.11Å; L445-S448 PolarHBondContact O-OG 3.37Å; R446-S448 VanDerWaalsContact C-N 3.28Å; R446-S448 PolarHBondContact O-N 2.93Å; S448-R456 WeakPolarHBondContact O-CD 3.31Å; S448-R456 WeakPolarHBondContact O-CG 3.05Å; S448-T516 WeakPolarHBondContact OG-CG2 3.23Å |
| 449 | L | 90.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 37% | 0.366 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 15.2 | 178.8 | -56.1 | 179.9 | 0 | 0 | 0 | 112.7 | R446 M447 D519 | R446-L449 PolarHBondContact O-N 3.35Å; M447-L449 PolarHBondContact O-N 3.2Å; L449-D519 HydrophobicContact CD2-CB 3.6Å |
| 450 | V | 89.4 | Confident | 92.8 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -80.2 | 153.1 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | T403 M447 D452 R456 | T403-V450 HydrophobicContact CG2-CB 4.3Å; T403-V450 HydrophobicContact CG2-CG1 3.64Å; T403-V450 HydrophobicContact CG2-CG2 3.99Å; M447-V450 HydrophobicContact CE-CG2 3.83Å; M447-V450 PolarHBondContact O-N 2.93Å; M447-V450 HydrophobicContact SD-CG2 4.13Å; V450-D452 VanDerWaalsContact C-N 3.31Å; V450-D452 HydrophobicContact CG1-CB 4.37Å; V450-D452 PolarHBondContact O-N 2.83Å; V450-R456 WeakPolarHBondContact O-CD 3.03Å; V450-R456 WeakPolarHBondContact O-CG 3.41Å; V450-R456 PolarHBondContact O-NH1 3.45Å |
| 451 | D | 85.9 | Confident | 93 | Very high | 78 Ų | 78 | 30 Ų | 30 | 42% | 0.417 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -62.6 | -30.6 | -177.5 | -61.1 | -36.4 | 0 | 0 | 0 | 114 | S453 R456 N525 | D451-S453 PolarHBondContact O-N 3.01Å; D451-R456 PolarHBondContact O-NH1 3.36Å; D451-N525 PolarHBondContact O-ND2 2.73Å; D451-N525 PolarHBondContact O-OD1 2.77Å |
| 452 | D | 87.8 | Confident | 93.1 | Very high | 38 Ų | 38 | 30 Ų | 30 | 20% | 0.203 | 15% | 0.152 | C | C | . | . | trans | -69.4 | 116.2 | 179.8 | -176.2 | -42.6 | 0 | 0 | 0 | 111.8 | V450 G454 V455 R456 | V450-D452 VanDerWaalsContact C-N 3.31Å; V450-D452 HydrophobicContact CG1-CB 4.37Å; V450-D452 PolarHBondContact O-N 2.83Å; D452-G454 PolarHBondContact O-N 3.09Å; D452-G454 WeakPolarHBondContact OD1-CA 3.17Å; D452-G454 PolarHBondContact OD1-N 3.44Å; D452-V455 HydrophobicContact CB-CB 3.99Å; D452-V455 HydrophobicContact CB-CG2 3.87Å; D452-V455 PolarHBondContact O-N 3.32Å; D452-V455 PolarHBondContact OD1-N 2.98Å; D452-R456 WeakPolarHBondContact O-CG 3.43Å; D452-R456 PolarHBondContact O-N 2.73Å; D452-R456 VanDerWaalsContact O-N 3.16Å | ||
| 453 | S | 91.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 13% | 0.133 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | -179.3 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | D451 R456 L457 N525 E527 N530 | D451-S453 PolarHBondContact O-N 3.01Å; S453-R456 PolarHBondContact O-N 3.49Å; S453-L457 PolarHBondContact O-N 3.24Å; S453-N525 WeakPolarHBondContact CB-O 3.45Å; S453-E527 PolarHBondContact OG-OE1 3.01Å; S453-N530 PolarHBondContact O-ND2 2.93Å |
| 454 | G | 92.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 25 Ų | 25 | 20% | 0.196 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | D452 L457 L458 | D452-G454 PolarHBondContact O-N 3.09Å; D452-G454 WeakPolarHBondContact OD1-CA 3.17Å; D452-G454 PolarHBondContact OD1-N 3.44Å; G454-L457 WeakPolarHBondContact O-CB 3.34Å; G454-L457 PolarHBondContact O-N 2.97Å; G454-L458 WeakPolarHBondContact O-CG 3.26Å; G454-L458 PolarHBondContact O-N 3.26Å |
| 455 | V | 92.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 173 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | Q413 H414 M417 M447 D452 L457 L458 V459 | Q413-V455 HydrophobicContact CB-CG2 4.18Å; H414-V455 HydrophobicContact CB-CG2 4.07Å; M417-V455 HydrophobicContact CG-CG1 4.23Å; M447-V455 HydrophobicContact CE-CG1 3.68Å; D452-V455 HydrophobicContact CB-CB 3.99Å; D452-V455 HydrophobicContact CB-CG2 3.87Å; D452-V455 PolarHBondContact O-N 3.32Å; D452-V455 PolarHBondContact OD1-N 2.98Å; V455-L457 VanDerWaalsContact C-N 3.29Å; V455-L457 PolarHBondContact O-N 3.07Å; V455-L458 PolarHBondContact O-N 3.14Å; V455-V459 WeakPolarHBondContact O-CG2 3.44Å; V455-V459 PolarHBondContact O-N 2.95Å |
| 456 | R | 94.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 177 | -65.2 | -165.3 | -59.7 | -85.4 | 2.3 | 112.1 | S448 V450 D451 D452 S453 V459 L460 N525 N526 | S448-R456 WeakPolarHBondContact O-CD 3.31Å; S448-R456 WeakPolarHBondContact O-CG 3.05Å; V450-R456 WeakPolarHBondContact O-CD 3.03Å; V450-R456 WeakPolarHBondContact O-CG 3.41Å; V450-R456 PolarHBondContact O-NH1 3.45Å; D451-R456 PolarHBondContact O-NH1 3.36Å; D452-R456 WeakPolarHBondContact O-CG 3.43Å; D452-R456 PolarHBondContact O-N 2.73Å; D452-R456 VanDerWaalsContact O-N 3.16Å; S453-R456 PolarHBondContact O-N 3.49Å; R456-V459 PolarHBondContact O-N 2.97Å; R456-L460 PolarHBondContact O-N 3.3Å; R456-L460 VanDerWaalsContact O-N 3.16Å; R456-N525 PolarHBondContact NH1-OD1 3.02Å; R456-N525 VanDerWaalsContact NH1-OD1 3.09Å; R456-N525 PolarHBondContact NH2-O 2.82Å; R456-N525 PolarHBondContact NH2-OD1 2.97Å; R456-N526 PolarHBondContact NE-OD1 3.02Å; R456-N526 VanDerWaalsContact NE-OD1 3.17Å; R456-N526 PolarHBondContact NH2-OD1 3.16Å |
| 457 | L | 96.6 | Very high | 94 | Very high | 29 Ų | 29 | 18.7 Ų | 18.7 | 15% | 0.152 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.3 | 179.5 | 61.4 | 0 | 0 | 0 | 111.3 | S453 G454 V455 V459 L460 Q461 N530 A533 | S453-L457 PolarHBondContact O-N 3.24Å; G454-L457 WeakPolarHBondContact O-CB 3.34Å; G454-L457 PolarHBondContact O-N 2.97Å; V455-L457 VanDerWaalsContact C-N 3.29Å; V455-L457 PolarHBondContact O-N 3.07Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.04Å; L457-L460 PolarHBondContact O-N 3.22Å; L457-Q461 HydrophobicContact CD1-CG 4.43Å; L457-Q461 WeakPolarHBondContact O-CG 3.27Å; L457-Q461 PolarHBondContact O-N 3.24Å; L457-N530 PolarHBondContact N-ND2 2.68Å; L457-A533 HydrophobicContact CD1-CB 3.6Å |
| 458 | L | 96.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 8% | 0.079 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -39 | 177.2 | -72.6 | 168.6 | 0 | 0 | 0 | 112.2 | M417 R418 H421 G454 V455 L460 Q461 I462 | M417-L458 HydrophobicContact CB-CB 4.15Å; M417-L458 HydrophobicContact CB-CD1 3.87Å; M417-L458 HydrophobicContact CE-CB 4.36Å; R418-L458 HydrophobicContact CB-CD1 4.26Å; H421-L458 HydrophobicContact CB-CD2 4.33Å; G454-L458 WeakPolarHBondContact O-CG 3.26Å; G454-L458 PolarHBondContact O-N 3.26Å; V455-L458 PolarHBondContact O-N 3.14Å; L458-L460 PolarHBondContact O-N 3.07Å; L458-Q461 PolarHBondContact O-N 3.42Å; L458-I462 WeakPolarHBondContact O-CD1 3.41Å; L458-I462 VanDerWaalsContact O-CG1 3.27Å; L458-I462 WeakPolarHBondContact O-CG1 3.16Å; L458-I462 PolarHBondContact O-N 3.12Å |
| 459 | V | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | M417 L444 M447 V455 R456 L457 Q461 I462 L463 | M417-V459 HydrophobicContact CE-CB 4.19Å; M417-V459 HydrophobicContact CE-CG2 3.37Å; L444-V459 HydrophobicContact CD1-CB 4.4Å; L444-V459 HydrophobicContact CD1-CG1 3.94Å; L444-V459 HydrophobicContact CD1-CG2 4.2Å; L444-V459 HydrophobicContact CG-CG1 3.94Å; L444-V459 WeakPolarHBondContact O-CG1 3.31Å; M447-V459 HydrophobicContact CB-CG2 3.59Å; V455-V459 WeakPolarHBondContact O-CG2 3.44Å; V455-V459 PolarHBondContact O-N 2.95Å; R456-V459 PolarHBondContact O-N 2.97Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 3.04Å; V459-Q461 VanDerWaalsContact C-N 3.35Å; V459-Q461 PolarHBondContact O-N 3.29Å; V459-I462 PolarHBondContact O-N 3.43Å; V459-L463 HydrophobicContact CG1-CD1 4.19Å; V459-L463 WeakPolarHBondContact O-CG 3.49Å; V459-L463 PolarHBondContact O-N 3.31Å |
| 460 | L | 97.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | 178.9 | -67.8 | 168.9 | 0 | 0 | 0 | 110.9 | R456 L457 L458 I462 L463 Q464 L517 A533 I534 | R456-L460 PolarHBondContact O-N 3.3Å; R456-L460 VanDerWaalsContact O-N 3.16Å; L457-L460 PolarHBondContact O-N 3.22Å; L458-L460 PolarHBondContact O-N 3.07Å; L460-I462 PolarHBondContact O-N 3.31Å; L460-L463 PolarHBondContact O-N 3.27Å; L460-Q464 WeakPolarHBondContact O-CB 3.1Å; L460-Q464 WeakPolarHBondContact O-CG 3.24Å; L460-Q464 PolarHBondContact O-N 2.87Å; L460-L517 HydrophobicContact CD2-CD2 3.75Å; L460-A533 HydrophobicContact CB-CB 4Å; L460-A533 HydrophobicContact CD1-CB 3.77Å; L460-I534 HydrophobicContact CD1-CG1 3.68Å |
| 461 | Q | 98 | Very high | 94.6 | Very high | 52 Ų | 52 | 24.9 Ų | 24.9 | 24% | 0.243 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 177 | -70.7 | 175.9 | -8.9 | 0 | 0 | 113 | H421 L457 L458 V459 Q464 T465 | H421-Q461 PolarHBondContact CE1-OE1 2.82Å; L457-Q461 HydrophobicContact CD1-CG 4.43Å; L457-Q461 WeakPolarHBondContact O-CG 3.27Å; L457-Q461 PolarHBondContact O-N 3.24Å; L458-Q461 PolarHBondContact O-N 3.42Å; V459-Q461 VanDerWaalsContact C-N 3.35Å; V459-Q461 PolarHBondContact O-N 3.29Å; Q461-Q464 PolarHBondContact O-N 3.04Å; Q461-T465 WeakPolarHBondContact O-CB 3.35Å; Q461-T465 PolarHBondContact O-N 2.9Å; Q461-T465 PolarHBondContact O-OG1 3.38Å |
| 462 | I | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 172.5 | -71.3 | 157.3 | 0 | 0 | 0 | 110.4 | M417 L420 H421 F440 L444 L458 V459 L460 Q464 T465 L466 | M417-I462 HydrophobicContact CE-CD1 3.27Å; M417-I462 HydrophobicContact SD-CD1 4.36Å; L420-I462 HydrophobicContact CB-CD1 4.18Å; L420-I462 HydrophobicContact CD2-CD1 4.03Å; L420-I462 HydrophobicContact CG-CD1 3.94Å; H421-I462 HydrophobicContact CB-CD1 4.04Å; H421-I462 HydrophobicContact CB-CG1 3.64Å; F440-I462 HydrophobicContact CZ-CG2 4.24Å; L444-I462 HydrophobicContact CD1-CD1 4.31Å; L444-I462 HydrophobicContact CD1-CG2 4.31Å; L444-I462 HydrophobicContact CD2-CG2 3.89Å; L458-I462 WeakPolarHBondContact O-CD1 3.41Å; L458-I462 VanDerWaalsContact O-CG1 3.27Å; L458-I462 WeakPolarHBondContact O-CG1 3.16Å; L458-I462 PolarHBondContact O-N 3.12Å; V459-I462 PolarHBondContact O-N 3.43Å; L460-I462 PolarHBondContact O-N 3.31Å; I462-Q464 VanDerWaalsContact C-N 3.33Å; I462-Q464 PolarHBondContact O-N 2.62Å; I462-T465 PolarHBondContact O-N 3.22Å; I462-L466 HydrophobicContact CG2-CD1 3.82Å; I462-L466 HydrophobicContact CG2-CG 4.39Å; I462-L466 WeakPolarHBondContact O-CB 3.27Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.22Å |
| 463 | L | 97 | Very high | 95.4 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 177 | -76 | 170.8 | 0 | 0 | 0 | 111 | L441 L444 L445 V459 L460 T465 L466 V467 L513 | L441-L463 HydrophobicContact CD1-CD2 3.62Å; L444-L463 HydrophobicContact CD2-CD2 3.7Å; L444-L463 HydrophobicContact CD2-CG 3.89Å; L445-L463 HydrophobicContact CD2-CD1 3.95Å; V459-L463 HydrophobicContact CG1-CD1 4.19Å; V459-L463 WeakPolarHBondContact O-CG 3.49Å; V459-L463 PolarHBondContact O-N 3.31Å; L460-L463 PolarHBondContact O-N 3.27Å; L463-T465 PolarHBondContact O-N 3.48Å; L463-L466 PolarHBondContact O-N 2.88Å; L463-V467 VanDerWaalsContact O-CB 3.24Å; L463-V467 WeakPolarHBondContact O-CB 3.4Å; L463-V467 WeakPolarHBondContact O-CG2 3.18Å; L463-V467 PolarHBondContact O-N 3.04Å; L463-L513 HydrophobicContact CD2-CD2 4.32Å |
| 464 | Q | 97.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.4 | -49.1 | 176.8 | -69.9 | 161.3 | 16.2 | 0 | 0 | 111.5 | L460 Q461 I462 L466 V467 D468 L473 A533 V536 T537 L540 | L460-Q464 WeakPolarHBondContact O-CB 3.1Å; L460-Q464 WeakPolarHBondContact O-CG 3.24Å; L460-Q464 PolarHBondContact O-N 2.87Å; Q461-Q464 PolarHBondContact O-N 3.04Å; I462-Q464 VanDerWaalsContact C-N 3.33Å; I462-Q464 PolarHBondContact O-N 2.62Å; Q464-L466 VanDerWaalsContact C-N 3.32Å; Q464-L466 PolarHBondContact O-N 3.38Å; Q464-V467 PolarHBondContact O-N 3.21Å; Q464-D468 VanDerWaalsContact O-CB 3.24Å; Q464-D468 WeakPolarHBondContact O-CB 3.42Å; Q464-D468 PolarHBondContact O-N 3.06Å; Q464-L473 HydrophobicContact CB-CD1 3.94Å; Q464-L473 HydrophobicContact CB-CD2 4.08Å; Q464-L473 HydrophobicContact CG-CD1 4.33Å; Q464-A533 PolarHBondContact NE2-O 2.94Å; Q464-V536 HydrophobicContact CG-CG1 4.26Å; Q464-T537 PolarHBondContact NE2-OG1 2.72Å; Q464-L540 HydrophobicContact CB-CD1 3.72Å; Q464-L540 HydrophobicContact CG-CD1 3.9Å |
| 465 | T | 97.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 24.4 Ų | 24.4 | 17% | 0.166 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.1 | -41.3 | 179.4 | -60 | 0 | 0 | 0 | 0 | 112 | A424 T425 Q461 I462 L463 | A424-T465 HydrophobicContact CB-CG2 4.34Å; T425-T465 HydrophobicContact CG2-CG2 4.32Å; Q461-T465 WeakPolarHBondContact O-CB 3.35Å; Q461-T465 PolarHBondContact O-N 2.9Å; Q461-T465 PolarHBondContact O-OG1 3.38Å; I462-T465 PolarHBondContact O-N 3.22Å; L463-T465 PolarHBondContact O-N 3.48Å |
| 466 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -81.7 | -25.8 | -178.1 | -65.5 | 178.2 | 0 | 0 | 0 | 113.3 | M392 A424 Y427 T429 V435 L436 F440 I462 L463 Q464 | M392-L466 HydrophobicContact CE-CD2 4.39Å; M392-L466 HydrophobicContact SD-CD2 4.17Å; A424-L466 HydrophobicContact CB-CD2 4Å; A424-L466 HydrophobicContact CB-CG 4.25Å; Y427-L466 HydrophobicContact CD1-CD2 3.81Å; T429-L466 VanDerWaalsContact CB-O 3.24Å; T429-L466 WeakPolarHBondContact CB-O 3.32Å; T429-L466 WeakPolarHBondContact CG2-O 3.25Å; T429-L466 PolarHBondContact OG1-O 3.12Å; V435-L466 HydrophobicContact CG2-CD1 4.1Å; V435-L466 HydrophobicContact CG2-CD2 4.05Å; L436-L466 HydrophobicContact CD2-CB 4.14Å; L436-L466 HydrophobicContact CD2-CD1 3.87Å; F440-L466 HydrophobicContact CE1-CD1 3.47Å; F440-L466 VanDerWaalsContact CE1-CD1 3.47Å; F440-L466 HydrophobicContact CZ-CD1 3.75Å; I462-L466 HydrophobicContact CG2-CD1 3.82Å; I462-L466 HydrophobicContact CG2-CG 4.39Å; I462-L466 WeakPolarHBondContact O-CB 3.27Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.22Å; L463-L466 PolarHBondContact O-N 2.88Å; Q464-L466 VanDerWaalsContact C-N 3.32Å; Q464-L466 PolarHBondContact O-N 3.38Å |
| 467 | V | 95.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -81.4 | -33.4 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L432 L436 L463 Q464 R469 L540 L541 E544 | L432-V467 HydrophobicContact CD2-CB 4.4Å; L432-V467 HydrophobicContact CD2-CG2 4.22Å; L436-V467 HydrophobicContact CD1-CG2 4Å; L463-V467 VanDerWaalsContact O-CB 3.24Å; L463-V467 WeakPolarHBondContact O-CB 3.4Å; L463-V467 WeakPolarHBondContact O-CG2 3.18Å; L463-V467 PolarHBondContact O-N 3.04Å; Q464-V467 PolarHBondContact O-N 3.21Å; V467-R469 PolarHBondContact O-N 3.21Å; V467-L540 HydrophobicContact CG1-CB 4.45Å; V467-L541 HydrophobicContact CG1-CD2 4.37Å; V467-E544 HydrophobicContact CG1-CB 3.94Å; V467-E544 HydrophobicContact CG1-CG 4Å; V467-E544 WeakPolarHBondContact O-CG 3.4Å |
| 468 | D | 95.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 13% | 0.134 | 17% | 0.165 | C | C | . | . | trans | -73.1 | 91.6 | -177.3 | -173.9 | 28.6 | 0 | 0 | 0 | 112.9 | Q464 Q471 N472 L473 L540 | Q464-D468 VanDerWaalsContact O-CB 3.24Å; Q464-D468 WeakPolarHBondContact O-CB 3.42Å; Q464-D468 PolarHBondContact O-N 3.06Å; D468-Q471 WeakPolarHBondContact OD1-CA 3.37Å; D468-Q471 PolarHBondContact OD1-N 3.4Å; D468-Q471 WeakPolarHBondContact OD2-CA 3.34Å; D468-N472 PolarHBondContact OD1-N 3.47Å; D468-N472 PolarHBondContact OD2-N 3Å; D468-L473 HydrophobicContact CB-CB 4.07Å; D468-L473 WeakPolarHBondContact OD2-CB 3.31Å; D468-L473 PolarHBondContact OD2-N 3.42Å; D468-L540 HydrophobicContact CB-CD1 4.3Å; D468-L540 HydrophobicContact CB-CD2 4.13Å | ||
| 469 | R | 93.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -83.6 | -25.6 | 178.3 | -62.8 | 177.9 | -67.8 | -169.6 | -5.2 | 112.2 | T429 V467 D502 E544 | T429-R469 HydrophobicContact CG2-CG 4.08Å; T429-R469 WeakPolarHBondContact O-CG 3.24Å; V467-R469 PolarHBondContact O-N 3.21Å; R469-D502 IonicContact CZ-OD1 3.32Å; R469-D502 IonicContact NH1-OD1 3.03Å; R469-D502 PolarHBondContact NH1-OD1 3.3Å; R469-D502 IonicContact NH1-OD2 3.69Å; R469-D502 IonicContact NH2-OD1 2.85Å; R469-D502 IonicContact NH2-OD2 3.26Å; R469-E544 IonicContact CZ-OE2 3.55Å; R469-E544 PolarHBondContact N-OE1 3.11Å; R469-E544 IonicContact NE-OE2 3.68Å; R469-E544 PolarHBondContact NE-OE2 3.16Å; R469-E544 PolarHBondContact NH2-O 2.88Å; R469-E544 IonicContact NH2-OE2 2.9Å; R469-E544 PolarHBondContact NH2-OE2 3.44Å |
| 470 | H | 92.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -113.2 | 14.5 | -169.8 | -46.9 | 99 | 0 | 0 | 0 | 114.4 | N472 C494 E496 E544 | H470-N472 VanDerWaalsContact C-N 3.32Å; H470-N472 PolarHBondContact O-N 2.79Å; H470-C494 HydrophobicContact CB-CB 3.82Å; H470-E496 IonicContact CD2-OE1 3.45Å; H470-E496 VanDerWaalsContact NE2-CG 3.31Å; H470-E496 WeakPolarHBondContact NE2-CG 3.43Å; H470-E496 IonicContact NE2-OE1 3.74Å; H470-E496 IonicContact NE2-OE2 3.48Å; H470-E496 PolarHBondContact NE2-OE2 3.14Å; H470-E544 IonicContact CE1-OE1 2.77Å; H470-E544 IonicContact CE1-OE2 2.82Å; H470-E544 PolarHBondContact CE1-OE2 3.36Å; H470-E544 IonicContact CG-OE1 3.18Å; H470-E544 PolarHBondContact N-OE1 2.77Å; H470-E544 IonicContact ND1-OE1 2.73Å; H470-E544 PolarHBondContact ND1-OE1 3.14Å; H470-E544 IonicContact ND1-OE2 3.55Å; H470-E544 PolarHBondContact ND1-OE2 3.23Å |
| 471 | Q | 93.4 | Very high | 94.1 | Very high | 131 Ų | 131 | 41.1 Ų | 41.1 | 61% | 0.612 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 62.3 | 35.2 | 176.3 | -55.9 | -177.8 | -9.8 | 0 | 0 | 113.6 | D468 P474 | D468-Q471 WeakPolarHBondContact OD1-CA 3.37Å; D468-Q471 PolarHBondContact OD1-N 3.4Å; D468-Q471 WeakPolarHBondContact OD2-CA 3.34Å; Q471-P474 WeakPolarHBondContact O-CD 3.23Å |
| 472 | N | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | trans | -79.6 | -20.8 | 174.8 | -69.7 | -48.7 | 0 | 0 | 0 | 112.2 | D468 H470 L475 L476 F493 C494 L540 L543 | D468-N472 PolarHBondContact OD1-N 3.47Å; D468-N472 PolarHBondContact OD2-N 3Å; H470-N472 VanDerWaalsContact C-N 3.32Å; H470-N472 PolarHBondContact O-N 2.79Å; N472-L475 PolarHBondContact O-N 3.32Å; N472-L476 PolarHBondContact O-N 3.35Å; N472-L476 VanDerWaalsContact O-N 3.1Å; N472-F493 HydrophobicContact CB-CD1 4.16Å; N472-C494 PolarHBondContact ND2-O 3.17Å; N472-C494 PolarHBondContact OD1-N 3.07Å; N472-L540 HydrophobicContact CB-CD2 4.03Å; N472-L543 HydrophobicContact CB-CD1 4Å | ||
| 473 | L | 95.5 | Very high | 92.8 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -47.4 | -175.4 | 175.5 | 60 | 0 | 0 | 0 | 113.6 | Q464 D468 L475 L476 Q477 V536 L540 | Q464-L473 HydrophobicContact CB-CD1 3.94Å; Q464-L473 HydrophobicContact CB-CD2 4.08Å; Q464-L473 HydrophobicContact CG-CD1 4.33Å; D468-L473 HydrophobicContact CB-CB 4.07Å; D468-L473 WeakPolarHBondContact OD2-CB 3.31Å; D468-L473 PolarHBondContact OD2-N 3.42Å; L473-L475 PolarHBondContact O-N 3.15Å; L473-L476 PolarHBondContact O-N 3.42Å; L473-Q477 HydrophobicContact CD1-CG 3.72Å; L473-Q477 HydrophobicContact CG-CG 4.26Å; L473-Q477 WeakPolarHBondContact O-CB 3.34Å; L473-Q477 WeakPolarHBondContact O-CG 3.1Å; L473-Q477 PolarHBondContact O-N 3.23Å; L473-V536 HydrophobicContact CD1-CG1 3.52Å; L473-L540 HydrophobicContact CB-CD1 4.31Å; L473-L540 HydrophobicContact CD1-CD1 3.92Å |
| 474 | P | 94.2 | Very high | 92.3 | Very high | 68 Ų | 68 | 46 Ų | 46 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -27.4 | -179.2 | -21.6 | 34.3 | 0 | 0 | 0 | 113.4 | Q471 K478 | Q471-P474 WeakPolarHBondContact O-CD 3.23Å; P474-K478 WeakPolarHBondContact O-CG 3.04Å |
| 475 | L | 94.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 46 Ų | 46 | 29% | 0.293 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.1 | -43.2 | 176 | -63.7 | 176.8 | 0 | 0 | 0 | 110.8 | N472 L473 K478 K492 F493 | N472-L475 PolarHBondContact O-N 3.32Å; L473-L475 PolarHBondContact O-N 3.15Å; L475-K478 PolarHBondContact O-N 3.46Å; L475-K492 HydrophobicContact CD1-CB 4.34Å; L475-K492 WeakPolarHBondContact CD1-O 3.15Å; L475-F493 HydrophobicContact CB-CD1 4.23Å; L475-F493 HydrophobicContact CB-CE1 3.46Å; L475-F493 VanDerWaalsContact CB-CE1 3.46Å; L475-F493 HydrophobicContact CB-CZ 3.7Å; L475-F493 HydrophobicContact CD1-CD1 4.06Å; L475-F493 HydrophobicContact CD1-CE1 4.08Å; L475-F493 HydrophobicContact CD1-CG 4.37Å; L475-F493 HydrophobicContact CD1-CZ 4.41Å; L475-F493 HydrophobicContact CG-CE1 4.44Å |
| 476 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 176.8 | -68.3 | 175.2 | 0 | 0 | 0 | 112.5 | N472 L473 K478 L479 F493 V536 A539 L540 L543 | N472-L476 PolarHBondContact O-N 3.35Å; N472-L476 VanDerWaalsContact O-N 3.1Å; L473-L476 PolarHBondContact O-N 3.42Å; L476-K478 PolarHBondContact O-N 2.99Å; L476-L479 HydrophobicContact CD2-CD1 3.96Å; L476-L479 WeakPolarHBondContact O-CB 3.05Å; L476-L479 PolarHBondContact O-N 3.22Å; L476-F493 HydrophobicContact CD2-CE1 3.67Å; L476-F493 HydrophobicContact CD2-CZ 4.09Å; L476-F493 HydrophobicContact CG-CE1 3.85Å; L476-V536 HydrophobicContact CB-CG1 4.06Å; L476-V536 HydrophobicContact CB-CG2 4.43Å; L476-A539 HydrophobicContact CD1-CB 3.91Å; L476-A539 HydrophobicContact CD2-CB 3.86Å; L476-A539 HydrophobicContact CG-CB 4.49Å; L476-L540 HydrophobicContact CD1-CB 4.34Å; L476-L540 HydrophobicContact CD1-CD2 3.57Å; L476-L540 HydrophobicContact CD1-CG 3.53Å; L476-L543 HydrophobicContact CD1-CD1 4.03Å; L476-L543 HydrophobicContact CD2-CD1 4.32Å; L476-L543 HydrophobicContact CG-CD1 4.43Å |
| 477 | Q | 93.8 | Very high | 91 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -27.1 | 179.5 | -79.1 | 178 | -20.7 | 0 | 0 | 113.2 | L473 L479 Q480 H532 V536 | L473-Q477 HydrophobicContact CD1-CG 3.72Å; L473-Q477 HydrophobicContact CG-CG 4.26Å; L473-Q477 WeakPolarHBondContact O-CB 3.34Å; L473-Q477 WeakPolarHBondContact O-CG 3.1Å; L473-Q477 PolarHBondContact O-N 3.23Å; Q477-L479 VanDerWaalsContact C-N 3.25Å; Q477-L479 PolarHBondContact O-N 3.2Å; Q477-Q480 PolarHBondContact O-NE2 3.39Å; Q477-H532 PolarHBondContact O-NE2 3.06Å; Q477-H532 VanDerWaalsContact O-NE2 3.16Å; Q477-V536 HydrophobicContact CG-CG1 4.5Å |
| 478 | K | 92 | Very high | 90.8 | Very high | 148 Ų | 148 | 54.1 Ų | 54.1 | 64% | 0.643 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -13.9 | 175.5 | -70.5 | 174.1 | -176.7 | -176.6 | 0 | 113.5 | P474 L475 L476 Q480 S484 | P474-K478 WeakPolarHBondContact O-CG 3.04Å; L475-K478 PolarHBondContact O-N 3.46Å; L476-K478 PolarHBondContact O-N 2.99Å; K478-Q480 VanDerWaalsContact C-N 3.26Å; K478-Q480 PolarHBondContact O-N 2.69Å; K478-S484 PolarHBondContact O-OG 2.88Å |
| 479 | L | 90.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 68.6 | -178.4 | -59.5 | 178.4 | 0 | 0 | 0 | 111.9 | L476 Q477 S484 F485 F488 H532 F535 V590 | L476-L479 HydrophobicContact CD2-CD1 3.96Å; L476-L479 WeakPolarHBondContact O-CB 3.05Å; L476-L479 PolarHBondContact O-N 3.22Å; Q477-L479 VanDerWaalsContact C-N 3.25Å; Q477-L479 PolarHBondContact O-N 3.2Å; L479-S484 WeakPolarHBondContact CA-OG 3.33Å; L479-F485 HydrophobicContact CB-CE1 3.96Å; L479-F485 HydrophobicContact CB-CE2 4.28Å; L479-F485 HydrophobicContact CB-CZ 3.71Å; L479-F485 HydrophobicContact CD1-CE1 4.31Å; L479-F485 WeakPolarHBondContact O-CZ 3.44Å; L479-F488 HydrophobicContact CD1-CD2 3.89Å; L479-F488 HydrophobicContact CD1-CE2 3.78Å; L479-F488 HydrophobicContact CD2-CD2 3.9Å; L479-H532 PolarHBondContact O-CE1 2.94Å; L479-H532 VanDerWaalsContact O-CE1 3.27Å; L479-F535 HydrophobicContact CB-CE1 4.07Å; L479-F535 HydrophobicContact CB-CZ 4.29Å; L479-F535 HydrophobicContact CD1-CZ 4.23Å; L479-V590 HydrophobicContact CD1-CG2 4.1Å |
| 480 | Q | 86.4 | Confident | 90.4 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -33.9 | -178.6 | -67.4 | -176.7 | 15.5 | 0 | 0 | 113.4 | Q477 K478 S484 H532 | Q477-Q480 PolarHBondContact O-NE2 3.39Å; K478-Q480 VanDerWaalsContact C-N 3.26Å; K478-Q480 PolarHBondContact O-N 2.69Å; Q480-S484 PolarHBondContact N-OG 3.39Å; Q480-H532 VanDerWaalsContact CG-CE1 3.47Å; Q480-H532 WeakPolarHBondContact CG-CE1 3.37Å; Q480-H532 WeakPolarHBondContact CG-NE2 3.47Å |
| 481 | S | 83.8 | Confident | 90.2 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -101.6 | 153.7 | -178.1 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | E483 S484 F485 | S481-E483 PolarHBondContact O-N 3.14Å; S481-S484 PolarHBondContact N-OG 2.83Å; S481-S484 WeakPolarHBondContact O-CB 3.36Å; S481-S484 PolarHBondContact O-N 3.41Å; S481-S484 PolarHBondContact O-OG 3.43Å; S481-S484 PolarHBondContact OG-N 3.15Å; S481-F485 WeakPolarHBondContact O-CD2 3.49Å; S481-F485 PolarHBondContact O-N 3.45Å |
| 482 | V | 83.3 | Confident | 90.1 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -38.8 | 175.7 | -178 | 0 | 0 | 0 | 0 | 111.5 | S484 F485 E486 L608 Q609 R612 | V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 3.39Å; V482-F485 WeakPolarHBondContact O-CA 3.27Å; V482-F485 WeakPolarHBondContact O-CB 3.44Å; V482-F485 PolarHBondContact O-N 3.22Å; V482-E486 PolarHBondContact O-N 3.46Å; V482-L608 HydrophobicContact CG2-CB 4.42Å; V482-L608 WeakPolarHBondContact CG2-O 3.46Å; V482-Q609 HydrophobicContact CG1-CG 3.62Å; V482-R612 HydrophobicContact CG2-CB 4.15Å |
| 483 | E | 85.6 | Confident | 90 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.6 | -36.6 | 176.4 | -63.3 | 172.4 | -172.1 | 0 | 0 | 112.7 | S481 F485 E486 A487 R612 | S481-E483 PolarHBondContact O-N 3.14Å; E483-F485 VanDerWaalsContact C-N 3.28Å; E483-F485 PolarHBondContact O-N 2.89Å; E483-E486 PolarHBondContact O-N 2.88Å; E483-A487 WeakPolarHBondContact O-CB 3.48Å; E483-A487 PolarHBondContact O-N 2.63Å; E483-R612 IonicContact OE1-NH2 3.55Å |
| 484 | S | 86.1 | Confident | 89.8 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 16% | 0.161 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -29.3 | 176.3 | 72 | 0 | 0 | 0 | 0 | 112.7 | K478 L479 Q480 S481 V482 F488 | K478-S484 PolarHBondContact O-OG 2.88Å; L479-S484 WeakPolarHBondContact CA-OG 3.33Å; Q480-S484 PolarHBondContact N-OG 3.39Å; S481-S484 PolarHBondContact N-OG 2.83Å; S481-S484 WeakPolarHBondContact O-CB 3.36Å; S481-S484 PolarHBondContact O-N 3.41Å; S481-S484 PolarHBondContact O-OG 3.43Å; S481-S484 PolarHBondContact OG-N 3.15Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 3.39Å; S484-F488 PolarHBondContact O-N 3.43Å |
| 485 | F | 88.4 | Confident | 89.5 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 1% | 0.013 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -77.4 | -34.8 | 172.5 | -67.4 | -80.8 | 0 | 0 | 0 | 111.8 | L479 S481 V482 E483 A487 F488 F535 Q586 F589 V590 L605 L608 | L479-F485 HydrophobicContact CB-CE1 3.96Å; L479-F485 HydrophobicContact CB-CE2 4.28Å; L479-F485 HydrophobicContact CB-CZ 3.71Å; L479-F485 HydrophobicContact CD1-CE1 4.31Å; L479-F485 WeakPolarHBondContact O-CZ 3.44Å; S481-F485 WeakPolarHBondContact O-CD2 3.49Å; S481-F485 PolarHBondContact O-N 3.45Å; V482-F485 WeakPolarHBondContact O-CA 3.27Å; V482-F485 WeakPolarHBondContact O-CB 3.44Å; V482-F485 PolarHBondContact O-N 3.22Å; E483-F485 VanDerWaalsContact C-N 3.28Å; E483-F485 PolarHBondContact O-N 2.89Å; F485-A487 VanDerWaalsContact C-N 3.33Å; F485-A487 PolarHBondContact O-N 3.3Å; F485-F488 WeakPolarHBondContact O-CB 3.45Å; F485-F488 PolarHBondContact O-N 2.83Å; F485-F535 HydrophobicContact CE1-CZ 4.11Å; F485-F535 HydrophobicContact CZ-CE1 4.35Å; F485-F535 HydrophobicContact CZ-CZ 4.15Å; F485-Q586 HydrophobicContact CE1-CB 4.06Å; F485-Q586 HydrophobicContact CE1-CG 4.09Å; F485-Q586 HydrophobicContact CE2-CG 3.95Å; F485-Q586 HydrophobicContact CZ-CB 3.84Å; F485-Q586 HydrophobicContact CZ-CG 3.45Å; F485-Q586 VanDerWaalsContact CZ-CG 3.45Å; F485-F589 HydrophobicContact CB-CD1 4.33Å; F485-F589 HydrophobicContact CB-CE1 3.99Å; F485-F589 HydrophobicContact CB-CZ 4.24Å; F485-F589 AromaticContact CD1-CD1 3.54Å; F485-F589 HydrophobicContact CD1-CD1 3.54Å; F485-F589 AromaticContact CD1-CE1 3.86Å; F485-F589 HydrophobicContact CD1-CE1 3.86Å; F485-F589 HydrophobicContact CD1-CG 4.28Å; F485-F589 HydrophobicContact CE1-CD1 4.36Å; F485-F589 HydrophobicContact CG-CD1 4.38Å; F485-F589 HydrophobicContact CG-CE1 4.44Å; F485-F589 WeakPolarHBondContact O-CE1 3.24Å; F485-F589 WeakPolarHBondContact O-CZ 3.31Å; F485-V590 HydrophobicContact CE1-CG2 4.3Å; F485-L605 HydrophobicContact CB-CD1 4.15Å; F485-L608 HydrophobicContact CB-CD1 4.29Å; F485-L608 HydrophobicContact CD1-CD1 4.18Å; F485-L608 HydrophobicContact CD2-CD1 4.01Å; F485-L608 HydrophobicContact CE2-CD1 4.45Å; F485-L608 HydrophobicContact CG-CD1 3.89Å |
| 486 | E | 87.2 | Confident | 89.1 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 173.3 | -67.9 | 178.9 | 177.3 | 0 | 0 | 112.2 | V482 E483 F488 L605 Q609 | V482-E486 PolarHBondContact O-N 3.46Å; E483-E486 PolarHBondContact O-N 2.88Å; E486-F488 VanDerWaalsContact C-N 3.26Å; E486-F488 PolarHBondContact O-N 2.92Å; E486-L605 HydrophobicContact CG-CD1 4.02Å; E486-L605 HydrophobicContact CG-CD2 4.36Å; E486-Q609 PolarHBondContact OE1-NE2 3.14Å |
| 487 | A | 88.7 | Confident | 88.6 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 60% | 0.595 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 10 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E483 F485 D489 | E483-A487 WeakPolarHBondContact O-CB 3.48Å; E483-A487 PolarHBondContact O-N 2.63Å; F485-A487 VanDerWaalsContact C-N 3.33Å; F485-A487 PolarHBondContact O-N 3.3Å; A487-D489 PolarHBondContact O-N 3.28Å |
| 488 | F | 91.2 | Very high | 88.2 | Confident | 27 Ų | 27 | 75.9 Ų | 75.9 | 12% | 0.118 | 40% | 0.396 | C | S | . | . | trans | -67.3 | 127.9 | -177.9 | -177.6 | -100.8 | 0 | 0 | 0 | 111.2 | L479 S484 F485 E486 P490 F493 F589 V590 F594 | L479-F488 HydrophobicContact CD1-CD2 3.89Å; L479-F488 HydrophobicContact CD1-CE2 3.78Å; L479-F488 HydrophobicContact CD2-CD2 3.9Å; S484-F488 PolarHBondContact O-N 3.43Å; F485-F488 WeakPolarHBondContact O-CB 3.45Å; F485-F488 PolarHBondContact O-N 2.83Å; E486-F488 VanDerWaalsContact C-N 3.26Å; E486-F488 PolarHBondContact O-N 2.92Å; F488-P490 HydrophobicContact CD1-CG 4.25Å; F488-P490 HydrophobicContact CE1-CB 4.47Å; F488-P490 HydrophobicContact CE1-CG 3.81Å; F488-F493 HydrophobicContact CD2-CE2 4.14Å; F488-F493 HydrophobicContact CD2-CZ 4.47Å; F488-F493 HydrophobicContact CE2-CD2 4.36Å; F488-F493 AromaticContact CE2-CE2 3.38Å; F488-F493 HydrophobicContact CE2-CE2 3.38Å; F488-F493 AromaticContact CE2-CZ 3.66Å; F488-F493 HydrophobicContact CE2-CZ 3.66Å; F488-F493 HydrophobicContact CZ-CD2 4.39Å; F488-F493 AromaticContact CZ-CE2 3.82Å; F488-F493 HydrophobicContact CZ-CE2 3.82Å; F488-F493 HydrophobicContact CZ-CZ 4.36Å; F488-F589 HydrophobicContact CB-CE1 3.68Å; F488-F589 HydrophobicContact CB-CZ 4.15Å; F488-F589 AromaticContact CD1-CE1 3.74Å; F488-F589 HydrophobicContact CD1-CE1 3.74Å; F488-F589 HydrophobicContact CD1-CZ 4.43Å; F488-F589 AromaticContact CG-CE1 3.76Å; F488-F589 HydrophobicContact CG-CE1 3.76Å; F488-V590 HydrophobicContact CE2-CG2 4.18Å; F488-V590 HydrophobicContact CZ-CB 4.48Å; F488-V590 HydrophobicContact CZ-CG1 4.05Å; F488-V590 HydrophobicContact CZ-CG2 4.24Å; F488-F594 HydrophobicContact CE1-CE2 4.31Å; F488-F594 HydrophobicContact CZ-CD2 4.32Å; F488-F594 AromaticContact CZ-CE2 3.65Å; F488-F594 HydrophobicContact CZ-CE2 3.65Å; F488-F594 HydrophobicContact CZ-CZ 4.28Å | ||
| 489 | D | 90.7 | Very high | 88 | Confident | 58 Ų | 58 | 71 Ų | 71 | 31% | 0.31 | 38% | 0.38 | S | S | . | . | trans | -129.9 | 106 | -178.9 | 180 | 2 | 0 | 0 | 0 | 109.3 | A487 S491 K492 | A487-D489 PolarHBondContact O-N 3.28Å; D489-S491 PolarHBondContact O-N 3.46Å; D489-S491 VanDerWaalsContact O-N 3.1Å; D489-S491 VanDerWaalsContact OD1-CB 3.3Å; D489-S491 WeakPolarHBondContact OD1-CB 3.49Å; D489-S491 PolarHBondContact OD1-N 2.81Å; D489-S491 PolarHBondContact OD1-OG 3.47Å; D489-S491 PolarHBondContact OD2-OG 2.82Å; D489-K492 HydrophobicContact CB-CD 4.07Å; D489-K492 HydrophobicContact CB-CG 4.15Å; D489-K492 PolarHBondContact O-N 3.14Å | ||
| 490 | P | 90.7 | Very high | 87.8 | Confident | 45 Ų | 45 | 81 Ų | 81 | 29% | 0.292 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -55.7 | -26.1 | 178.1 | -22.7 | 30.1 | 0 | 0 | 0 | 113.5 | F488 K492 F493 F594 | F488-P490 HydrophobicContact CD1-CG 4.25Å; F488-P490 HydrophobicContact CE1-CB 4.47Å; F488-P490 HydrophobicContact CE1-CG 3.81Å; P490-K492 PolarHBondContact O-N 3.3Å; P490-F493 PolarHBondContact O-N 2.97Å; P490-F594 HydrophobicContact CB-CD1 4.01Å; P490-F594 HydrophobicContact CB-CE1 3.82Å; P490-F594 HydrophobicContact CB-CZ 4.17Å |
| 491 | S | 88.8 | Confident | 87.8 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 67% | 0.671 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -70.7 | -16.4 | -176.5 | 74.9 | 0 | 0 | 0 | 0 | 114 | D489 F493 | D489-S491 PolarHBondContact O-N 3.46Å; D489-S491 VanDerWaalsContact O-N 3.1Å; D489-S491 VanDerWaalsContact OD1-CB 3.3Å; D489-S491 WeakPolarHBondContact OD1-CB 3.49Å; D489-S491 PolarHBondContact OD1-N 2.81Å; D489-S491 PolarHBondContact OD1-OG 3.47Å; D489-S491 PolarHBondContact OD2-OG 2.82Å; S491-F493 VanDerWaalsContact C-N 3.3Å |
| 492 | K | 90.5 | Very high | 88.1 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -77.9 | -14.7 | 176.3 | -65.4 | 179.1 | -175.8 | 166.5 | 0 | 113.5 | L475 D489 P490 | L475-K492 HydrophobicContact CD1-CB 4.34Å; L475-K492 WeakPolarHBondContact CD1-O 3.15Å; D489-K492 HydrophobicContact CB-CD 4.07Å; D489-K492 HydrophobicContact CB-CG 4.15Å; D489-K492 PolarHBondContact O-N 3.14Å; P490-K492 PolarHBondContact O-N 3.3Å |
| 493 | F | 93.8 | Very high | 88.4 | Confident | 23 Ų | 23 | 75.5 Ų | 75.5 | 10% | 0.101 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -94.4 | 143.6 | -177.2 | -66.8 | -94.2 | 0 | 0 | 0 | 111.1 | N472 L475 L476 F488 P490 S491 L543 F594 | N472-F493 HydrophobicContact CB-CD1 4.16Å; L475-F493 HydrophobicContact CB-CD1 4.23Å; L475-F493 HydrophobicContact CB-CE1 3.46Å; L475-F493 VanDerWaalsContact CB-CE1 3.46Å; L475-F493 HydrophobicContact CB-CZ 3.7Å; L475-F493 HydrophobicContact CD1-CD1 4.06Å; L475-F493 HydrophobicContact CD1-CE1 4.08Å; L475-F493 HydrophobicContact CD1-CG 4.37Å; L475-F493 HydrophobicContact CD1-CZ 4.41Å; L475-F493 HydrophobicContact CG-CE1 4.44Å; L476-F493 HydrophobicContact CD2-CE1 3.67Å; L476-F493 HydrophobicContact CD2-CZ 4.09Å; L476-F493 HydrophobicContact CG-CE1 3.85Å; F488-F493 HydrophobicContact CD2-CE2 4.14Å; F488-F493 HydrophobicContact CD2-CZ 4.47Å; F488-F493 HydrophobicContact CE2-CD2 4.36Å; F488-F493 AromaticContact CE2-CE2 3.38Å; F488-F493 HydrophobicContact CE2-CE2 3.38Å; F488-F493 AromaticContact CE2-CZ 3.66Å; F488-F493 HydrophobicContact CE2-CZ 3.66Å; F488-F493 HydrophobicContact CZ-CD2 4.39Å; F488-F493 AromaticContact CZ-CE2 3.82Å; F488-F493 HydrophobicContact CZ-CE2 3.82Å; F488-F493 HydrophobicContact CZ-CZ 4.36Å; P490-F493 PolarHBondContact O-N 2.97Å; S491-F493 VanDerWaalsContact C-N 3.3Å; F493-L543 HydrophobicContact CD1-CD1 3.71Å; F493-L543 HydrophobicContact CE1-CD1 4.28Å; F493-L543 HydrophobicContact CG-CD1 4.41Å; F493-F594 HydrophobicContact CB-CE1 4.02Å; F493-F594 HydrophobicContact CB-CZ 3.59Å; F493-F594 HydrophobicContact CD1-CZ 4.44Å; F493-F594 HydrophobicContact CD2-CE2 4.42Å; F493-F594 AromaticContact CD2-CZ 3.69Å; F493-F594 HydrophobicContact CD2-CZ 3.69Å; F493-F594 HydrophobicContact CE2-CZ 4.49Å; F493-F594 AromaticContact CG-CZ 3.65Å; F493-F594 HydrophobicContact CG-CZ 3.65Å |
| 494 | C | 90.7 | Very high | 88.5 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | trans | -96.5 | 114.5 | 176.7 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | H470 N472 | H470-C494 HydrophobicContact CB-CB 3.82Å; N472-C494 PolarHBondContact ND2-O 3.17Å; N472-C494 PolarHBondContact OD1-N 3.07Å | ||
| 495 | V | 88.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 75.2 Ų | 75.2 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | trans | -119.7 | 110.3 | 178 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | L543 F594 | V495-L543 HydrophobicContact CG2-CD2 3.75Å; V495-F594 HydrophobicContact CG2-CD1 4.49Å; V495-F594 HydrophobicContact CG2-CE1 4.05Å | ||
| 496 | E | 85.8 | Confident | 88.9 | Confident | 130 Ų | 130 | 75.6 Ų | 75.6 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 163.8 | 174.9 | -77 | -163 | 179.1 | 0 | 0 | 112.4 | H470 | H470-E496 IonicContact CD2-OE1 3.45Å; H470-E496 VanDerWaalsContact NE2-CG 3.31Å; H470-E496 WeakPolarHBondContact NE2-CG 3.43Å; H470-E496 IonicContact NE2-OE1 3.74Å; H470-E496 IonicContact NE2-OE2 3.48Å; H470-E496 PolarHBondContact NE2-OE2 3.14Å |
| 497 | K | 84 | Confident | 88.9 | Confident | 199 Ų | 199 | 77.8 Ų | 77.8 | 87% | 0.865 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 133.3 | 178.5 | -70.7 | -175.4 | 178.8 | -180 | 0 | 110.7 | S499 | K497-S499 PolarHBondContact O-N 3.21Š|
| 498 | F | 85.7 | Confident | 88.9 | Confident | 79 Ų | 79 | 79.2 Ų | 79.2 | 35% | 0.346 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 120.6 | 173.7 | -172.9 | -103.6 | 0 | 0 | 0 | 112.1 | D502 A503 V506 C547 | F498-D502 HydrophobicContact CD2-CB 3.72Å; F498-D502 HydrophobicContact CE2-CB 3.47Å; F498-D502 VanDerWaalsContact CE2-CB 3.47Å; F498-D502 HydrophobicContact CG-CB 4.4Å; F498-D502 HydrophobicContact CZ-CB 3.98Å; F498-A503 HydrophobicContact CE1-CB 3.7Å; F498-A503 VanDerWaalsContact CZ-CA 3.49Å; F498-A503 HydrophobicContact CZ-CB 4.01Å; F498-V506 HydrophobicContact CE2-CG2 3.95Å; F498-V506 HydrophobicContact CZ-CG2 4.12Å; F498-C547 HydrophobicContact CD1-CB 3.9Å; F498-C547 HydrophobicContact CD2-CB 3.71Å; F498-C547 HydrophobicContact CE1-CB 3.83Å; F498-C547 HydrophobicContact CE2-CB 3.65Å; F498-C547 VanDerWaalsContact CE2-SG 3.55Å; F498-C547 HydrophobicContact CG-CB 3.81Å; F498-C547 HydrophobicContact CZ-CB 3.68Å; F498-C547 VanDerWaalsContact CZ-SG 3.54Å |
| 499 | S | 88 | Confident | 88.9 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -94.5 | 166.9 | -175.7 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | K497 A501 D502 A503 | K497-S499 PolarHBondContact O-N 3.21Å; S499-A501 VanDerWaalsContact C-N 3.26Å; S499-A501 PolarHBondContact O-N 2.99Å; S499-A501 PolarHBondContact OG-N 3.13Å; S499-D502 VanDerWaalsContact CB-OD2 3.28Å; S499-D502 WeakPolarHBondContact CB-OD2 3.39Å; S499-D502 PolarHBondContact N-OD2 3.26Å; S499-D502 WeakPolarHBondContact O-CB 3.4Å; S499-D502 PolarHBondContact O-N 3.16Å; S499-D502 PolarHBondContact OG-N 2.98Å; S499-D502 PolarHBondContact OG-OD2 3.22Å; S499-A503 PolarHBondContact O-N 2.72Å; S499-A503 VanDerWaalsContact O-N 3.11Å |
| 500 | R | 86 | Confident | 88.8 | Confident | 220 Ų | 220 | 76.5 Ų | 76.5 | 83% | 0.83 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.6 | -32.3 | 172.6 | -175.3 | 178.5 | 176.9 | 118.5 | 0.8 | 112.4 | D502 A503 M504 | R500-D502 VanDerWaalsContact C-N 3.32Å; R500-A503 WeakPolarHBondContact O-CB 3.44Å; R500-A503 PolarHBondContact O-N 3.36Å; R500-M504 PolarHBondContact O-N 3.29Å |
| 501 | A | 87 | Confident | 88.8 | Confident | 28 Ų | 28 | 75.5 Ų | 75.5 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S499 M504 F505 | S499-A501 VanDerWaalsContact C-N 3.26Å; S499-A501 PolarHBondContact O-N 2.99Å; S499-A501 PolarHBondContact OG-N 3.13Å; A501-M504 PolarHBondContact O-N 3.13Å; A501-F505 PolarHBondContact O-N 3.14Å; A501-F505 VanDerWaalsContact O-N 3.1Å |
| 502 | D | 90.4 | Very high | 89 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.5 | -55.3 | -38.4 | 0 | 0 | 0 | 111.3 | R469 F498 S499 R500 M504 F505 V506 L545 | R469-D502 IonicContact CZ-OD1 3.32Å; R469-D502 IonicContact NH1-OD1 3.03Å; R469-D502 PolarHBondContact NH1-OD1 3.3Å; R469-D502 IonicContact NH1-OD2 3.69Å; R469-D502 IonicContact NH2-OD1 2.85Å; R469-D502 IonicContact NH2-OD2 3.26Å; F498-D502 HydrophobicContact CD2-CB 3.72Å; F498-D502 HydrophobicContact CE2-CB 3.47Å; F498-D502 VanDerWaalsContact CE2-CB 3.47Å; F498-D502 HydrophobicContact CG-CB 4.4Å; F498-D502 HydrophobicContact CZ-CB 3.98Å; S499-D502 VanDerWaalsContact CB-OD2 3.28Å; S499-D502 WeakPolarHBondContact CB-OD2 3.39Å; S499-D502 PolarHBondContact N-OD2 3.26Å; S499-D502 WeakPolarHBondContact O-CB 3.4Å; S499-D502 PolarHBondContact O-N 3.16Å; S499-D502 PolarHBondContact OG-N 2.98Å; S499-D502 PolarHBondContact OG-OD2 3.22Å; R500-D502 VanDerWaalsContact C-N 3.32Å; D502-M504 VanDerWaalsContact C-N 3.29Å; D502-M504 PolarHBondContact O-N 3.04Å; D502-F505 WeakPolarHBondContact O-CB 3.24Å; D502-F505 PolarHBondContact O-N 3.35Å; D502-F505 VanDerWaalsContact O-N 3.11Å; D502-V506 WeakPolarHBondContact O-CB 3.29Å; D502-V506 WeakPolarHBondContact O-CG2 3.32Å; D502-V506 PolarHBondContact O-N 3.02Å; D502-L545 HydrophobicContact CB-CD2 3.91Å |
| 503 | A | 89.1 | Confident | 89.2 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.9 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F498 S499 R500 H507 | F498-A503 HydrophobicContact CE1-CB 3.7Å; F498-A503 VanDerWaalsContact CZ-CA 3.49Å; F498-A503 HydrophobicContact CZ-CB 4.01Å; S499-A503 PolarHBondContact O-N 2.72Å; S499-A503 VanDerWaalsContact O-N 3.11Å; R500-A503 WeakPolarHBondContact O-CB 3.44Å; R500-A503 PolarHBondContact O-N 3.36Å; A503-H507 WeakPolarHBondContact O-CB 3.36Å; A503-H507 PolarHBondContact O-N 3.35Å |
| 504 | M | 87.4 | Confident | 89.2 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.6 | -40.8 | 176.7 | -68.2 | -67.4 | -64.2 | 0 | 0 | 111.8 | R500 A501 D502 K508 | R500-M504 PolarHBondContact O-N 3.29Å; A501-M504 PolarHBondContact O-N 3.13Å; D502-M504 VanDerWaalsContact C-N 3.29Å; D502-M504 PolarHBondContact O-N 3.04Å; M504-K508 WeakPolarHBondContact O-CB 3.47Å; M504-K508 PolarHBondContact O-N 3.01Å |
| 505 | F | 91.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 176.7 | 175.1 | -96.5 | 0 | 0 | 0 | 111.7 | L432 L436 L441 A501 D502 H507 K508 F509 L513 L545 | L432-F505 HydrophobicContact CB-CB 4.47Å; L432-F505 HydrophobicContact CB-CD1 4.27Å; L432-F505 HydrophobicContact CB-CD2 3.9Å; L432-F505 HydrophobicContact CB-CE2 4.23Å; L432-F505 HydrophobicContact CB-CG 3.93Å; L432-F505 HydrophobicContact CD1-CD1 4.09Å; L432-F505 HydrophobicContact CD1-CE1 4.31Å; L436-F505 HydrophobicContact CB-CD2 4.46Å; L436-F505 HydrophobicContact CB-CE2 3.61Å; L436-F505 HydrophobicContact CB-CZ 4.33Å; L436-F505 HydrophobicContact CD1-CE2 3.76Å; L436-F505 HydrophobicContact CD1-CZ 3.65Å; L436-F505 HydrophobicContact CG-CE2 4.32Å; L441-F505 HydrophobicContact CD2-CE2 4.4Å; A501-F505 PolarHBondContact O-N 3.14Å; A501-F505 VanDerWaalsContact O-N 3.1Å; D502-F505 WeakPolarHBondContact O-CB 3.24Å; D502-F505 PolarHBondContact O-N 3.35Å; D502-F505 VanDerWaalsContact O-N 3.11Å; F505-H507 PolarHBondContact O-N 2.95Å; F505-K508 PolarHBondContact O-N 3.24Å; F505-K508 VanDerWaalsContact O-N 3.12Å; F505-F509 AromaticContact CD2-CD2 3.63Å; F505-F509 HydrophobicContact CD2-CD2 3.63Å; F505-F509 HydrophobicContact CD2-CE2 4.26Å; F505-F509 HydrophobicContact CE2-CB 4.22Å; F505-F509 AromaticContact CE2-CD2 3.56Å; F505-F509 HydrophobicContact CE2-CD2 3.56Å; F505-F509 HydrophobicContact CE2-CE2 4.3Å; F505-F509 HydrophobicContact CE2-CG 4.25Å; F505-F509 HydrophobicContact CG-CD2 4.49Å; F505-F509 HydrophobicContact CZ-CB 4.24Å; F505-F509 HydrophobicContact CZ-CD2 4.4Å; F505-F509 PolarHBondContact O-N 3.2Å; F505-L513 HydrophobicContact CE1-CD1 4Å; F505-L513 HydrophobicContact CZ-CD1 3.86Å; F505-L545 HydrophobicContact CD1-CD1 3.81Å; F505-L545 HydrophobicContact CD1-CD2 4.1Å; F505-L545 HydrophobicContact CE1-CD1 3.56Å |
| 506 | V | 90.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.9 | -53 | 179 | 166.9 | 0 | 0 | 0 | 0 | 110.4 | F498 D502 K508 F509 S510 L545 V550 | F498-V506 HydrophobicContact CE2-CG2 3.95Å; F498-V506 HydrophobicContact CZ-CG2 4.12Å; D502-V506 WeakPolarHBondContact O-CB 3.29Å; D502-V506 WeakPolarHBondContact O-CG2 3.32Å; D502-V506 PolarHBondContact O-N 3.02Å; V506-K508 PolarHBondContact O-N 2.99Å; V506-K508 VanDerWaalsContact O-N 3.09Å; V506-F509 PolarHBondContact O-N 3.32Å; V506-S510 WeakPolarHBondContact O-CB 3.45Å; V506-S510 PolarHBondContact O-N 3.48Å; V506-S510 PolarHBondContact O-OG 3.15Å; V506-L545 HydrophobicContact CG2-CB 4.32Å; V506-L545 HydrophobicContact CG2-CD1 4.36Å; V506-L545 HydrophobicContact CG2-CD2 4.03Å; V506-L545 HydrophobicContact CG2-CG 4.5Å; V506-V550 HydrophobicContact CB-CG2 4.25Å; V506-V550 HydrophobicContact CG1-CG2 3.47Å; V506-V550 VanDerWaalsContact CG1-CG2 3.47Å; V506-V550 HydrophobicContact CG2-CG2 3.68Å |
| 507 | H | 87.4 | Confident | 90.2 | Very high | 152 Ų | 152 | 54.8 Ų | 54.8 | 70% | 0.704 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -54.6 | -35.6 | 179.5 | 178.7 | -88.7 | 0 | 0 | 0 | 112.3 | A503 F505 | A503-H507 WeakPolarHBondContact O-CB 3.36Å; A503-H507 PolarHBondContact O-N 3.35Å; F505-H507 PolarHBondContact O-N 2.95Å |
| 508 | K | 89 | Confident | 90.8 | Very high | 101 Ų | 101 | 46.7 Ų | 46.7 | 44% | 0.439 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -80.6 | -44.9 | -177.8 | -167.1 | 170.2 | 175.4 | -173.1 | 0 | 113.1 | S438 M504 F505 V506 K696 | S438-K508 WeakPolarHBondContact OG-CE 3.41Å; S438-K508 PolarHBondContact OG-NZ 3.27Å; M504-K508 WeakPolarHBondContact O-CB 3.47Å; M504-K508 PolarHBondContact O-N 3.01Å; F505-K508 PolarHBondContact O-N 3.24Å; F505-K508 VanDerWaalsContact O-N 3.12Å; V506-K508 PolarHBondContact O-N 2.99Å; V506-K508 VanDerWaalsContact O-N 3.09Å; K508-K696 PolarHBondContact O-NZ 3.08Å |
| 509 | F | 91 | Very high | 91.2 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -122.3 | -9.7 | -164.2 | -61.2 | -65.2 | 0 | 0 | 0 | 116.4 | L436 L441 F505 V506 N511 S512 L513 | L436-F509 WeakPolarHBondContact O-CE2 3.34Å; L441-F509 HydrophobicContact CD2-CB 3.73Å; L441-F509 HydrophobicContact CD2-CD1 3.63Å; L441-F509 HydrophobicContact CD2-CD2 4.09Å; L441-F509 HydrophobicContact CD2-CE1 4.18Å; L441-F509 HydrophobicContact CD2-CG 3.56Å; F505-F509 AromaticContact CD2-CD2 3.63Å; F505-F509 HydrophobicContact CD2-CD2 3.63Å; F505-F509 HydrophobicContact CD2-CE2 4.26Å; F505-F509 HydrophobicContact CE2-CB 4.22Å; F505-F509 AromaticContact CE2-CD2 3.56Å; F505-F509 HydrophobicContact CE2-CD2 3.56Å; F505-F509 HydrophobicContact CE2-CE2 4.3Å; F505-F509 HydrophobicContact CE2-CG 4.25Å; F505-F509 HydrophobicContact CG-CD2 4.49Å; F505-F509 HydrophobicContact CZ-CB 4.24Å; F505-F509 HydrophobicContact CZ-CD2 4.4Å; F505-F509 PolarHBondContact O-N 3.2Å; V506-F509 PolarHBondContact O-N 3.32Å; F509-N511 VanDerWaalsContact C-N 3.3Å; F509-N511 PolarHBondContact O-N 3.33Å; F509-S512 PolarHBondContact O-N 2.85Å; F509-L513 HydrophobicContact CB-CD1 4.38Å; F509-L513 WeakPolarHBondContact O-CG 3.39Å; F509-L513 PolarHBondContact O-N 3.03Å |
| 510 | S | 89.3 | Confident | 91.5 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.3 | -45 | -175.8 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | V506 L513 L514 | V506-S510 WeakPolarHBondContact O-CB 3.45Å; V506-S510 PolarHBondContact O-N 3.48Å; V506-S510 PolarHBondContact O-OG 3.15Å; S510-L513 PolarHBondContact O-N 2.75Å; S510-L514 WeakPolarHBondContact O-CB 3.21Å; S510-L514 VanDerWaalsContact O-CG 3.3Å; S510-L514 WeakPolarHBondContact O-CG 3.32Å; S510-L514 PolarHBondContact O-N 3Å |
| 511 | N | 91.4 | Very high | 91.8 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.6 | -44.9 | -176.4 | -63.7 | -14.9 | 0 | 0 | 0 | 112 | F509 L515 M689 A692 E693 | F509-N511 VanDerWaalsContact C-N 3.3Å; F509-N511 PolarHBondContact O-N 3.33Å; N511-L515 VanDerWaalsContact O-CB 3.24Å; N511-L515 WeakPolarHBondContact O-CB 3.42Å; N511-L515 PolarHBondContact O-N 3.17Å; N511-M689 VanDerWaalsContact CA-CE 3.49Å; N511-M689 HydrophobicContact CB-CE 4.06Å; N511-M689 HydrophobicContact CB-SD 4.23Å; N511-A692 WeakPolarHBondContact ND2-CB 3.25Å; N511-E693 HydrophobicContact CB-CG 4.08Å; N511-E693 VanDerWaalsContact CB-OE1 3.32Å; N511-E693 WeakPolarHBondContact CB-OE1 3.45Å |
| 512 | S | 91.9 | Very high | 92.2 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 174.9 | -170.2 | 0 | 0 | 0 | 0 | 111.3 | L445 F509 L514 L515 T516 E693 | L445-S512 VanDerWaalsContact CD1-OG 3.25Å; L445-S512 WeakPolarHBondContact CD1-OG 3.35Å; F509-S512 PolarHBondContact O-N 2.85Å; S512-L514 PolarHBondContact O-N 3.28Å; S512-L515 PolarHBondContact O-N 3.48Å; S512-T516 WeakPolarHBondContact O-CB 3.47Å; S512-T516 PolarHBondContact O-N 3.1Å; S512-T516 PolarHBondContact O-OG1 3.17Å; S512-E693 PolarHBondContact N-OE1 3.42Å |
| 513 | L | 94.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | -179.7 | -77.6 | 167.8 | 0 | 0 | 0 | 112.1 | L441 L445 L463 F505 F509 S510 T516 L517 L541 | L441-L513 HydrophobicContact CD1-CD2 4.17Å; L441-L513 HydrophobicContact CD2-CD2 4.47Å; L445-L513 HydrophobicContact CD1-CD2 4.28Å; L445-L513 HydrophobicContact CD2-CD2 3.89Å; L463-L513 HydrophobicContact CD2-CD2 4.32Å; F505-L513 HydrophobicContact CE1-CD1 4Å; F505-L513 HydrophobicContact CZ-CD1 3.86Å; F509-L513 HydrophobicContact CB-CD1 4.38Å; F509-L513 WeakPolarHBondContact O-CG 3.39Å; F509-L513 PolarHBondContact O-N 3.03Å; S510-L513 PolarHBondContact O-N 2.75Å; L513-T516 PolarHBondContact O-N 2.89Å; L513-L517 WeakPolarHBondContact O-CG 3.15Å; L513-L517 PolarHBondContact O-N 3.42Å; L513-L541 HydrophobicContact CD1-CD2 4.4Å |
| 514 | L | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70 | -35.9 | -176.9 | -65.5 | 176.9 | 0 | 0 | 0 | 112.3 | S510 S512 L517 Y518 L541 D553 L554 L557 F685 M689 | S510-L514 WeakPolarHBondContact O-CB 3.21Å; S510-L514 VanDerWaalsContact O-CG 3.3Å; S510-L514 WeakPolarHBondContact O-CG 3.32Å; S510-L514 PolarHBondContact O-N 3Å; S512-L514 PolarHBondContact O-N 3.28Å; L514-L517 HydrophobicContact CD2-CD1 4.47Å; L514-L517 PolarHBondContact O-N 2.83Å; L514-Y518 PolarHBondContact O-N 2.96Å; L514-L541 HydrophobicContact CD2-CD1 4.43Å; L514-D553 HydrophobicContact CD1-CB 3.49Å; L514-D553 VanDerWaalsContact CD1-CB 3.49Å; L514-L554 HydrophobicContact CD2-CD2 3.45Å; L514-L554 VanDerWaalsContact CD2-CD2 3.45Å; L514-L554 HydrophobicContact CD2-CG 4.1Å; L514-L557 HydrophobicContact CD2-CD2 3.93Å; L514-F685 HydrophobicContact CB-CE2 4.38Å; L514-F685 HydrophobicContact CB-CZ 4.07Å; L514-M689 HydrophobicContact CB-CE 3.44Å; L514-M689 VanDerWaalsContact CB-CE 3.44Å; L514-M689 HydrophobicContact CD1-CE 3.8Å; L514-M689 HydrophobicContact CG-CE 4.22Å |
| 515 | L | 95.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 173.1 | -176.9 | 64 | 0 | 0 | 0 | 110.7 | N511 S512 L517 Y518 D519 L686 R690 | N511-L515 VanDerWaalsContact O-CB 3.24Å; N511-L515 WeakPolarHBondContact O-CB 3.42Å; N511-L515 PolarHBondContact O-N 3.17Å; S512-L515 PolarHBondContact O-N 3.48Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-L517 PolarHBondContact O-N 2.97Å; L515-Y518 WeakPolarHBondContact O-CB 3.49Å; L515-Y518 PolarHBondContact O-N 3.33Å; L515-D519 PolarHBondContact O-N 3.4Å; L515-L686 HydrophobicContact CD1-CD2 3.87Å; L515-R690 HydrophobicContact CD1-CG 4.21Å; L515-R690 HydrophobicContact CD2-CG 4.1Å |
| 516 | T | 94.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -37.5 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | L445 S448 S512 L513 D519 A520 | L445-T516 HydrophobicContact CB-CG2 4.18Å; L445-T516 HydrophobicContact CD2-CG2 3.88Å; S448-T516 WeakPolarHBondContact OG-CG2 3.23Å; S512-T516 WeakPolarHBondContact O-CB 3.47Å; S512-T516 PolarHBondContact O-N 3.1Å; S512-T516 PolarHBondContact O-OG1 3.17Å; L513-T516 PolarHBondContact O-N 2.89Å; T516-D519 PolarHBondContact O-N 3.41Å; T516-A520 WeakPolarHBondContact O-CB 3.45Å; T516-A520 PolarHBondContact O-N 2.95Å |
| 517 | L | 96.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 174.1 | -71.8 | 174.6 | 0 | 0 | 0 | 112.3 | L460 L513 L514 L515 S521 I534 T537 M538 L541 L557 | L460-L517 HydrophobicContact CD2-CD2 3.75Å; L513-L517 WeakPolarHBondContact O-CG 3.15Å; L513-L517 PolarHBondContact O-N 3.42Å; L514-L517 HydrophobicContact CD2-CD1 4.47Å; L514-L517 PolarHBondContact O-N 2.83Å; L515-L517 VanDerWaalsContact C-N 3.34Å; L515-L517 PolarHBondContact O-N 2.97Å; L517-S521 WeakPolarHBondContact O-CB 3.37Å; L517-S521 PolarHBondContact O-N 2.91Å; L517-S521 VanDerWaalsContact O-N 3.09Å; L517-I534 HydrophobicContact CD2-CG2 4.39Å; L517-T537 HydrophobicContact CD1-CG2 4.29Å; L517-T537 HydrophobicContact CD2-CG2 3.97Å; L517-M538 HydrophobicContact CD1-CG 4.02Å; L517-L541 HydrophobicContact CD1-CD1 3.8Å; L517-L557 HydrophobicContact CB-CD2 4.01Å; L517-L557 HydrophobicContact CD1-CD2 4.34Å |
| 518 | Y | 96.1 | Very high | 92.6 | Very high | 29 Ų | 29 | 37 Ų | 37 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -55.7 | 171.8 | -179.7 | -85.4 | 0 | 0 | 0 | 110.5 | L514 L515 A520 S521 M522 L557 A560 L561 F685 L686 | L514-Y518 PolarHBondContact O-N 2.96Å; L515-Y518 WeakPolarHBondContact O-CB 3.49Å; L515-Y518 PolarHBondContact O-N 3.33Å; Y518-A520 VanDerWaalsContact C-N 3.32Å; Y518-A520 PolarHBondContact O-N 3.45Å; Y518-S521 PolarHBondContact O-N 3.45Å; Y518-S521 VanDerWaalsContact O-N 3.1Å; Y518-S521 PolarHBondContact O-OG 3.41Å; Y518-M522 HydrophobicContact CD1-CG 4.22Å; Y518-M522 HydrophobicContact CE1-CG 3.8Å; Y518-M522 WeakPolarHBondContact O-CG 3.45Å; Y518-M522 PolarHBondContact O-N 3.4Å; Y518-L557 HydrophobicContact CD2-CD1 4.06Å; Y518-L557 HydrophobicContact CG-CD1 4.38Å; Y518-A560 HydrophobicContact CD2-CB 4.05Å; Y518-A560 HydrophobicContact CE2-CB 3.93Å; Y518-L561 HydrophobicContact CD2-CD2 3.85Å; Y518-L561 HydrophobicContact CE2-CD2 4.22Å; Y518-F685 HydrophobicContact CD2-CD1 4.45Å; Y518-F685 HydrophobicContact CD2-CE1 4.24Å; Y518-F685 HydrophobicContact CG-CE1 4.25Å; Y518-L686 HydrophobicContact CD1-CD2 3.65Å; Y518-L686 HydrophobicContact CD2-CD2 4.47Å; Y518-L686 HydrophobicContact CE1-CD1 3.91Å; Y518-L686 HydrophobicContact CE1-CD2 3.7Å; Y518-L686 HydrophobicContact CE1-CG 4.27Å; Y518-L686 HydrophobicContact CE2-CD1 4.49Å; Y518-L686 HydrophobicContact CE2-CD2 4.49Å; Y518-L686 HydrophobicContact CG-CD2 4.07Å |
| 519 | D | 94.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | -176.6 | -66.7 | -28.7 | 0 | 0 | 0 | 111.2 | L449 L515 T516 S521 M522 M523 | L449-D519 HydrophobicContact CD2-CB 3.6Å; L515-D519 PolarHBondContact O-N 3.4Å; T516-D519 PolarHBondContact O-N 3.41Å; D519-S521 VanDerWaalsContact C-N 3.3Å; D519-S521 PolarHBondContact O-N 3.33Å; D519-M522 PolarHBondContact O-N 3.07Å; D519-M522 VanDerWaalsContact O-N 3.07Å; D519-M523 PolarHBondContact O-N 2.9Å |
| 520 | A | 94.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.1 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T516 Y518 M522 M523 N526 I534 | T516-A520 WeakPolarHBondContact O-CB 3.45Å; T516-A520 PolarHBondContact O-N 2.95Å; Y518-A520 VanDerWaalsContact C-N 3.32Å; Y518-A520 PolarHBondContact O-N 3.45Å; A520-M522 PolarHBondContact O-N 3.49Å; A520-M523 PolarHBondContact O-N 3.18Å; A520-N526 PolarHBondContact O-ND2 2.96Å; A520-I534 HydrophobicContact CB-CD1 4.35Å |
| 521 | S | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.1 | -20.9 | 176.6 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | L517 Y518 D519 L561 | L517-S521 WeakPolarHBondContact O-CB 3.37Å; L517-S521 PolarHBondContact O-N 2.91Å; L517-S521 VanDerWaalsContact O-N 3.09Å; Y518-S521 PolarHBondContact O-N 3.45Å; Y518-S521 VanDerWaalsContact O-N 3.1Å; Y518-S521 PolarHBondContact O-OG 3.41Å; D519-S521 VanDerWaalsContact C-N 3.3Å; D519-S521 PolarHBondContact O-N 3.33Å; S521-L561 WeakPolarHBondContact OG-CD2 3.42Å |
| 522 | M | 93.9 | Very high | 93.6 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 22% | 0.222 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -4 | 179.5 | -59.8 | -63.7 | 110.5 | 0 | 0 | 113.2 | Y518 D519 A520 A524 L561 A564 L572 I580 | Y518-M522 HydrophobicContact CD1-CG 4.22Å; Y518-M522 HydrophobicContact CE1-CG 3.8Å; Y518-M522 WeakPolarHBondContact O-CG 3.45Å; Y518-M522 PolarHBondContact O-N 3.4Å; D519-M522 PolarHBondContact O-N 3.07Å; D519-M522 VanDerWaalsContact O-N 3.07Å; A520-M522 PolarHBondContact O-N 3.49Å; M522-A524 PolarHBondContact O-N 3.03Å; M522-L561 HydrophobicContact CE-CD2 3.64Å; M522-A564 HydrophobicContact CE-CB 4.21Å; M522-A564 HydrophobicContact SD-CB 4.01Å; M522-L572 HydrophobicContact SD-CD1 4.23Å; M522-L572 HydrophobicContact SD-CD2 4.09Å; M522-I580 HydrophobicContact CE-CD1 3.59Å; M522-I580 HydrophobicContact CE-CG1 4.36Å |
| 523 | M | 92.5 | Very high | 93.9 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 17% | 0.172 | 17% | 0.173 | C | C | . | . | trans | -63.4 | 133.2 | 179.5 | -67.3 | -66.8 | -66.5 | 0 | 0 | 111.5 | D519 A520 N525 N526 Q576 | D519-M523 PolarHBondContact O-N 2.9Å; A520-M523 PolarHBondContact O-N 3.18Å; M523-N525 PolarHBondContact O-N 3.3Å; M523-N526 PolarHBondContact O-ND2 3.19Å; M523-Q576 PolarHBondContact O-NE2 3.15Å | ||
| 524 | A | 86.8 | Confident | 94 | Very high | 85 Ų | 85 | 32 Ų | 32 | 70% | 0.702 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -42.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M522 N526 | M522-A524 PolarHBondContact O-N 3.03Å; A524-N526 PolarHBondContact O-N 3.33Å |
| 525 | N | 89.2 | Confident | 94.1 | Very high | 80 Ų | 80 | 31.8 Ų | 31.8 | 43% | 0.428 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 36.9 | -175.5 | 67.3 | -17.7 | 0 | 0 | 0 | 113 | D451 S453 R456 M523 | D451-N525 PolarHBondContact O-ND2 2.73Å; D451-N525 PolarHBondContact O-OD1 2.77Å; S453-N525 WeakPolarHBondContact CB-O 3.45Å; R456-N525 PolarHBondContact NH1-OD1 3.02Å; R456-N525 VanDerWaalsContact NH1-OD1 3.09Å; R456-N525 PolarHBondContact NH2-O 2.82Å; R456-N525 PolarHBondContact NH2-OD1 2.97Å; M523-N525 PolarHBondContact O-N 3.3Å |
| 526 | N | 93.3 | Very high | 94.3 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | trans | -73.2 | 133.5 | 171.8 | -82.8 | -23.2 | 0 | 0 | 0 | 111.1 | R456 A520 M523 A524 N530 Y531 | R456-N526 PolarHBondContact NE-OD1 3.02Å; R456-N526 VanDerWaalsContact NE-OD1 3.17Å; R456-N526 PolarHBondContact NH2-OD1 3.16Å; A520-N526 PolarHBondContact O-ND2 2.96Å; M523-N526 PolarHBondContact O-ND2 3.19Å; A524-N526 PolarHBondContact O-N 3.33Å; N526-N530 HydrophobicContact CB-CB 4.11Å; N526-Y531 HydrophobicContact CB-CD2 4.17Å; N526-Y531 HydrophobicContact CB-CE1 4.26Å; N526-Y531 HydrophobicContact CB-CE2 3.48Å; N526-Y531 VanDerWaalsContact CB-CE2 3.48Å | ||
| 527 | E | 92.2 | Very high | 94.4 | Very high | 72 Ų | 72 | 30.4 Ų | 30.4 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | trans | -88.2 | 167.9 | 169.1 | -68.6 | 165.9 | -143.1 | 0 | 0 | 111 | S453 S529 N530 Y531 | S453-E527 PolarHBondContact OG-OE1 3.01Å; E527-S529 PolarHBondContact O-N 2.86Å; E527-S529 VanDerWaalsContact O-N 3.16Å; E527-N530 PolarHBondContact N-OD1 3.07Å; E527-N530 WeakPolarHBondContact O-CB 3.35Å; E527-N530 PolarHBondContact O-N 3.31Å; E527-Y531 VanDerWaalsContact O-CD2 3.24Å; E527-Y531 WeakPolarHBondContact O-CD2 3.48Å; E527-Y531 PolarHBondContact O-N 2.9Å | ||
| 528 | R | 91.8 | Very high | 94.5 | Very high | 122 Ų | 122 | 30 Ų | 30 | 46% | 0.46 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -52.7 | -37.2 | 174.6 | -177.9 | 179 | 178.4 | -172.7 | -0.2 | 112.5 | N530 Y531 H532 P618 | R528-N530 VanDerWaalsContact C-N 3.35Å; R528-N530 PolarHBondContact O-N 2.88Å; R528-Y531 PolarHBondContact O-N 3.47Å; R528-H532 PolarHBondContact O-N 3Å; R528-P618 PolarHBondContact NH1-O 2.85Å |
| 529 | S | 94.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 28.7 Ų | 28.7 | 28% | 0.28 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | E527 A533 | E527-S529 PolarHBondContact O-N 2.86Å; E527-S529 VanDerWaalsContact O-N 3.16Å; S529-A533 WeakPolarHBondContact O-CB 3.42Å; S529-A533 PolarHBondContact O-N 3.35Å |
| 530 | N | 96.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 176 | -63 | 103 | 0 | 0 | 0 | 111.2 | S453 L457 N526 E527 R528 H532 A533 I534 | S453-N530 PolarHBondContact O-ND2 2.93Å; L457-N530 PolarHBondContact N-ND2 2.68Å; N526-N530 HydrophobicContact CB-CB 4.11Å; E527-N530 PolarHBondContact N-OD1 3.07Å; E527-N530 WeakPolarHBondContact O-CB 3.35Å; E527-N530 PolarHBondContact O-N 3.31Å; R528-N530 VanDerWaalsContact C-N 3.35Å; R528-N530 PolarHBondContact O-N 2.88Å; N530-H532 PolarHBondContact O-N 3.31Å; N530-A533 PolarHBondContact O-N 3.44Å; N530-I534 WeakPolarHBondContact O-CG1 3.36Å; N530-I534 PolarHBondContact O-N 3.1Å |
| 531 | Y | 95.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 179.7 | -68.9 | -69.6 | 0 | 0 | 0 | 112.2 | N526 E527 R528 A533 I534 F535 Q576 H579 I580 I583 | N526-Y531 HydrophobicContact CB-CD2 4.17Å; N526-Y531 HydrophobicContact CB-CE1 4.26Å; N526-Y531 HydrophobicContact CB-CE2 3.48Å; N526-Y531 VanDerWaalsContact CB-CE2 3.48Å; E527-Y531 VanDerWaalsContact O-CD2 3.24Å; E527-Y531 WeakPolarHBondContact O-CD2 3.48Å; E527-Y531 PolarHBondContact O-N 2.9Å; R528-Y531 PolarHBondContact O-N 3.47Å; Y531-A533 VanDerWaalsContact C-N 3.33Å; Y531-A533 PolarHBondContact O-N 2.92Å; Y531-I534 PolarHBondContact O-N 3Å; Y531-F535 PolarHBondContact O-N 3.35Å; Y531-Q576 VanDerWaalsContact OH-CG 3.27Å; Y531-Q576 WeakPolarHBondContact OH-CG 3.45Å; Y531-H579 HydrophobicContact CD1-CB 3.87Å; Y531-H579 HydrophobicContact CD2-CB 3.42Å; Y531-H579 VanDerWaalsContact CD2-CB 3.42Å; Y531-H579 AromaticContact CD2-CD2 3.75Å; Y531-H579 AromaticContact CD2-CG 3.59Å; Y531-H579 HydrophobicContact CE1-CB 4.12Å; Y531-H579 HydrophobicContact CE2-CB 3.7Å; Y531-H579 AromaticContact CE2-CD2 3.78Å; Y531-H579 AromaticContact CE2-CG 3.95Å; Y531-H579 HydrophobicContact CG-CB 3.51Å; Y531-I580 HydrophobicContact CD1-CG1 4.41Å; Y531-I580 HydrophobicContact CE1-CG1 3.84Å; Y531-I583 HydrophobicContact CD1-CD1 3.6Å; Y531-I583 HydrophobicContact CG-CD1 4.19Å; Y531-I583 WeakPolarHBondContact O-CD1 3.37Å; Y531-I583 WeakPolarHBondContact O-CG1 3.26Å |
| 532 | H | 95.5 | Very high | 94.8 | Very high | 30 Ų | 30 | 27.4 Ų | 27.4 | 14% | 0.139 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -43.9 | 173.9 | -173.8 | 54.8 | 0 | 0 | 0 | 111.6 | Q477 L479 Q480 R528 N530 I534 F535 V536 | Q477-H532 PolarHBondContact O-NE2 3.06Å; Q477-H532 VanDerWaalsContact O-NE2 3.16Å; L479-H532 PolarHBondContact O-CE1 2.94Å; L479-H532 VanDerWaalsContact O-CE1 3.27Å; Q480-H532 VanDerWaalsContact CG-CE1 3.47Å; Q480-H532 WeakPolarHBondContact CG-CE1 3.37Å; Q480-H532 WeakPolarHBondContact CG-NE2 3.47Å; R528-H532 PolarHBondContact O-N 3Å; N530-H532 PolarHBondContact O-N 3.31Å; H532-I534 VanDerWaalsContact C-N 3.33Å; H532-I534 PolarHBondContact O-N 3.05Å; H532-F535 AromaticContact CE1-CD1 3.95Å; H532-F535 AromaticContact ND1-CD1 3.78Å; H532-F535 WeakPolarHBondContact O-CB 3.2Å; H532-F535 PolarHBondContact O-N 2.87Å; H532-V536 WeakPolarHBondContact O-CG2 3.21Å; H532-V536 PolarHBondContact O-N 3.38Å |
| 533 | A | 97.1 | Very high | 94.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L457 L460 Q464 S529 N530 Y531 V536 T537 | L457-A533 HydrophobicContact CD1-CB 3.6Å; L460-A533 HydrophobicContact CB-CB 4Å; L460-A533 HydrophobicContact CD1-CB 3.77Å; Q464-A533 PolarHBondContact NE2-O 2.94Å; S529-A533 WeakPolarHBondContact O-CB 3.42Å; S529-A533 PolarHBondContact O-N 3.35Å; N530-A533 PolarHBondContact O-N 3.44Å; Y531-A533 VanDerWaalsContact C-N 3.33Å; Y531-A533 PolarHBondContact O-N 2.92Å; A533-V536 PolarHBondContact O-N 3.31Å; A533-T537 WeakPolarHBondContact O-CB 3.47Å; A533-T537 PolarHBondContact O-N 3Å; A533-T537 PolarHBondContact O-OG1 3.07Å |
| 534 | I | 97.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 174.2 | -68.2 | 166.4 | 0 | 0 | 0 | 110.1 | L460 L517 A520 N530 Y531 H532 V536 T537 M538 I583 | L460-I534 HydrophobicContact CD1-CG1 3.68Å; L517-I534 HydrophobicContact CD2-CG2 4.39Å; A520-I534 HydrophobicContact CB-CD1 4.35Å; N530-I534 WeakPolarHBondContact O-CG1 3.36Å; N530-I534 PolarHBondContact O-N 3.1Å; Y531-I534 PolarHBondContact O-N 3Å; H532-I534 VanDerWaalsContact C-N 3.33Å; H532-I534 PolarHBondContact O-N 3.05Å; I534-V536 PolarHBondContact O-N 2.98Å; I534-T537 PolarHBondContact O-N 2.98Å; I534-M538 HydrophobicContact CG2-SD 4.28Å; I534-M538 WeakPolarHBondContact O-CG 3.48Å; I534-M538 PolarHBondContact O-N 3.28Å; I534-I583 HydrophobicContact CB-CD1 4.12Å; I534-I583 HydrophobicContact CG2-CD1 4.09Å |
| 535 | F | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55.8 | -51.7 | 174.7 | 154 | -109.3 | 0 | 0 | 0 | 111.8 | L479 F485 Y531 H532 T537 M538 A539 I583 Q586 F587 V590 | L479-F535 HydrophobicContact CB-CE1 4.07Å; L479-F535 HydrophobicContact CB-CZ 4.29Å; L479-F535 HydrophobicContact CD1-CZ 4.23Å; F485-F535 HydrophobicContact CE1-CZ 4.11Å; F485-F535 HydrophobicContact CZ-CE1 4.35Å; F485-F535 HydrophobicContact CZ-CZ 4.15Å; Y531-F535 PolarHBondContact O-N 3.35Å; H532-F535 AromaticContact CE1-CD1 3.95Å; H532-F535 AromaticContact ND1-CD1 3.78Å; H532-F535 WeakPolarHBondContact O-CB 3.2Å; H532-F535 PolarHBondContact O-N 2.87Å; F535-T537 PolarHBondContact O-N 3.3Å; F535-M538 WeakPolarHBondContact O-CB 3.3Å; F535-M538 PolarHBondContact O-N 3.1Å; F535-M538 VanDerWaalsContact O-N 3.11Å; F535-A539 HydrophobicContact CE2-CB 4.24Å; F535-A539 PolarHBondContact O-N 3.13Å; F535-I583 HydrophobicContact CB-CG1 4.19Å; F535-I583 HydrophobicContact CB-CG2 4.26Å; F535-Q586 HydrophobicContact CD2-CB 3.56Å; F535-Q586 HydrophobicContact CE2-CB 3.55Å; F535-Q586 HydrophobicContact CG-CB 4.08Å; F535-Q586 HydrophobicContact CZ-CB 4.05Å; F535-F587 HydrophobicContact CD2-CB 4.3Å; F535-V590 HydrophobicContact CE2-CG2 4.08Å; F535-V590 HydrophobicContact CZ-CG2 4.05Å |
| 536 | V | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.1 | -38.1 | 179.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | Q464 L473 L476 Q477 H532 A533 I534 A539 L540 | Q464-V536 HydrophobicContact CG-CG1 4.26Å; L473-V536 HydrophobicContact CD1-CG1 3.52Å; L476-V536 HydrophobicContact CB-CG1 4.06Å; L476-V536 HydrophobicContact CB-CG2 4.43Å; Q477-V536 HydrophobicContact CG-CG1 4.5Å; H532-V536 WeakPolarHBondContact O-CG2 3.21Å; H532-V536 PolarHBondContact O-N 3.38Å; A533-V536 PolarHBondContact O-N 3.31Å; I534-V536 PolarHBondContact O-N 2.98Å; V536-A539 PolarHBondContact O-N 3.08Å; V536-L540 HydrophobicContact CG1-CD1 4.37Å; V536-L540 WeakPolarHBondContact O-CB 3.32Å; V536-L540 PolarHBondContact O-N 2.98Å |
| 537 | T | 97.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 18 Ų | 18 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 176.7 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | Q464 L517 A533 I534 F535 A539 L540 L541 | Q464-T537 PolarHBondContact NE2-OG1 2.72Å; L517-T537 HydrophobicContact CD1-CG2 4.29Å; L517-T537 HydrophobicContact CD2-CG2 3.97Å; A533-T537 WeakPolarHBondContact O-CB 3.47Å; A533-T537 PolarHBondContact O-N 3Å; A533-T537 PolarHBondContact O-OG1 3.07Å; I534-T537 PolarHBondContact O-N 2.98Å; F535-T537 PolarHBondContact O-N 3.3Å; T537-A539 PolarHBondContact O-N 2.9Å; T537-L540 PolarHBondContact O-N 3.21Å; T537-L541 HydrophobicContact CG2-CD1 4.43Å; T537-L541 VanDerWaalsContact O-CG 3.27Å; T537-L541 WeakPolarHBondContact O-CG 3.5Å; T537-L541 PolarHBondContact O-N 3.25Å |
| 538 | M | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61 | -44 | 174.8 | -69.3 | 176.1 | 64.4 | 0 | 0 | 111.7 | L517 I534 F535 L541 F542 L554 L557 L561 I583 F587 | L517-M538 HydrophobicContact CD1-CG 4.02Å; I534-M538 HydrophobicContact CG2-SD 4.28Å; I534-M538 WeakPolarHBondContact O-CG 3.48Å; I534-M538 PolarHBondContact O-N 3.28Å; F535-M538 WeakPolarHBondContact O-CB 3.3Å; F535-M538 PolarHBondContact O-N 3.1Å; F535-M538 VanDerWaalsContact O-N 3.11Å; M538-L541 PolarHBondContact O-N 3.15Å; M538-F542 PolarHBondContact O-N 3.42Å; M538-L554 HydrophobicContact CB-CD2 4.25Å; M538-L554 HydrophobicContact CG-CD2 4.37Å; M538-L557 HydrophobicContact CE-CD2 3.86Å; M538-L557 HydrophobicContact CE-CG 4.03Å; M538-L557 HydrophobicContact CG-CD2 4.14Å; M538-L557 HydrophobicContact SD-CD2 3.96Å; M538-L557 HydrophobicContact SD-CG 4.46Å; M538-L561 HydrophobicContact SD-CD1 4.43Å; M538-I583 HydrophobicContact SD-CG2 3.85Å; M538-F587 HydrophobicContact CB-CD2 3.67Å; M538-F587 HydrophobicContact CB-CE2 4.05Å; M538-F587 HydrophobicContact CB-CG 4.38Å; M538-F587 HydrophobicContact CE-CB 4.18Å; M538-F587 HydrophobicContact CE-CD1 3.79Å; M538-F587 HydrophobicContact CE-CD2 4.02Å; M538-F587 HydrophobicContact CE-CE1 4.25Å; M538-F587 HydrophobicContact CE-CE2 4.45Å; M538-F587 HydrophobicContact CE-CG 3.69Å |
| 539 | A | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L476 F535 V536 T537 F542 L543 V590 | L476-A539 HydrophobicContact CD1-CB 3.91Å; L476-A539 HydrophobicContact CD2-CB 3.86Å; L476-A539 HydrophobicContact CG-CB 4.49Å; F535-A539 HydrophobicContact CE2-CB 4.24Å; F535-A539 PolarHBondContact O-N 3.13Å; V536-A539 PolarHBondContact O-N 3.08Å; T537-A539 PolarHBondContact O-N 2.9Å; A539-F542 WeakPolarHBondContact O-CB 3.49Å; A539-F542 PolarHBondContact O-N 3.23Å; A539-L543 WeakPolarHBondContact O-CG 3.37Å; A539-L543 PolarHBondContact O-N 2.65Å; A539-V590 HydrophobicContact CB-CG1 4.45Å |
| 540 | L | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 174.3 | -84.8 | 179.8 | 0 | 0 | 0 | 112.3 | Q464 V467 D468 N472 L473 L476 V536 T537 F542 L543 E544 | Q464-L540 HydrophobicContact CB-CD1 3.72Å; Q464-L540 HydrophobicContact CG-CD1 3.9Å; V467-L540 HydrophobicContact CG1-CB 4.45Å; D468-L540 HydrophobicContact CB-CD1 4.3Å; D468-L540 HydrophobicContact CB-CD2 4.13Å; N472-L540 HydrophobicContact CB-CD2 4.03Å; L473-L540 HydrophobicContact CB-CD1 4.31Å; L473-L540 HydrophobicContact CD1-CD1 3.92Å; L476-L540 HydrophobicContact CD1-CB 4.34Å; L476-L540 HydrophobicContact CD1-CD2 3.57Å; L476-L540 HydrophobicContact CD1-CG 3.53Å; V536-L540 HydrophobicContact CG1-CD1 4.37Å; V536-L540 WeakPolarHBondContact O-CB 3.32Å; V536-L540 PolarHBondContact O-N 2.98Å; T537-L540 PolarHBondContact O-N 3.21Å; L540-F542 PolarHBondContact O-N 2.79Å; L540-L543 PolarHBondContact O-N 3.43Å; L540-E544 VanDerWaalsContact O-CB 3.29Å; L540-E544 WeakPolarHBondContact O-CB 3.37Å; L540-E544 WeakPolarHBondContact O-CG 3.31Å; L540-E544 PolarHBondContact O-N 2.7Å |
| 541 | L | 95.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 5% | 0.047 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -37.4 | 175.5 | -69.8 | 173.3 | 0 | 0 | 0 | 111.3 | V467 L513 L514 L517 T537 M538 L545 L554 | V467-L541 HydrophobicContact CG1-CD2 4.37Å; L513-L541 HydrophobicContact CD1-CD2 4.4Å; L514-L541 HydrophobicContact CD2-CD1 4.43Å; L517-L541 HydrophobicContact CD1-CD1 3.8Å; T537-L541 HydrophobicContact CG2-CD1 4.43Å; T537-L541 VanDerWaalsContact O-CG 3.27Å; T537-L541 WeakPolarHBondContact O-CG 3.5Å; T537-L541 PolarHBondContact O-N 3.25Å; M538-L541 PolarHBondContact O-N 3.15Å; L541-L545 HydrophobicContact CD2-CD1 3.81Å; L541-L545 CarbonylContact O-C 3.55Å; L541-L545 WeakPolarHBondContact O-CA 3.19Å; L541-L545 VanDerWaalsContact O-CB 3.3Å; L541-L545 WeakPolarHBondContact O-CB 3.22Å; L541-L545 PolarHBondContact O-N 3.37Å; L541-L554 HydrophobicContact CB-CD1 4.33Å; L541-L554 HydrophobicContact CB-CD2 4.45Å |
| 542 | F | 95.7 | Very high | 94.3 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 6% | 0.057 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 173.7 | 175.4 | -90.7 | 0 | 0 | 0 | 112.1 | M538 A539 L540 G546 I551 L554 F587 A591 F594 L595 | M538-F542 PolarHBondContact O-N 3.42Å; A539-F542 WeakPolarHBondContact O-CB 3.49Å; A539-F542 PolarHBondContact O-N 3.23Å; L540-F542 PolarHBondContact O-N 2.79Å; F542-G546 WeakPolarHBondContact O-CA 3.48Å; F542-G546 PolarHBondContact O-N 2.97Å; F542-G546 VanDerWaalsContact O-N 3.14Å; F542-I551 HydrophobicContact CD2-CG1 3.92Å; F542-I551 HydrophobicContact CE2-CD1 4.05Å; F542-I551 HydrophobicContact CE2-CG1 3.8Å; F542-I551 HydrophobicContact CE2-CG2 4.09Å; F542-L554 HydrophobicContact CB-CD1 3.83Å; F542-F587 HydrophobicContact CB-CE2 4.14Å; F542-A591 HydrophobicContact CD2-CB 4.21Å; F542-A591 HydrophobicContact CE2-CB 4Å; F542-A591 HydrophobicContact CZ-CB 4.3Å; F542-F594 HydrophobicContact CD1-CD2 4.44Å; F542-F594 HydrophobicContact CE1-CB 3.52Å; F542-F594 AromaticContact CE1-CD2 3.84Å; F542-F594 HydrophobicContact CE1-CD2 3.84Å; F542-F594 AromaticContact CE1-CG 3.81Å; F542-F594 HydrophobicContact CE1-CG 3.81Å; F542-F594 HydrophobicContact CZ-CB 3.8Å; F542-L595 HydrophobicContact CE2-CD1 4.44Å; F542-L595 HydrophobicContact CE2-CG 4.34Å; F542-L595 HydrophobicContact CZ-CD2 4.34Å; F542-L595 HydrophobicContact CZ-CG 4.1Å |
| 543 | L | 94.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.9 | -39 | -178.2 | -64 | 178 | 0 | 0 | 0 | 113.3 | N472 L476 F493 V495 A539 L540 F594 | N472-L543 HydrophobicContact CB-CD1 4Å; L476-L543 HydrophobicContact CD1-CD1 4.03Å; L476-L543 HydrophobicContact CD2-CD1 4.32Å; L476-L543 HydrophobicContact CG-CD1 4.43Å; F493-L543 HydrophobicContact CD1-CD1 3.71Å; F493-L543 HydrophobicContact CE1-CD1 4.28Å; F493-L543 HydrophobicContact CG-CD1 4.41Å; V495-L543 HydrophobicContact CG2-CD2 3.75Å; A539-L543 WeakPolarHBondContact O-CG 3.37Å; A539-L543 PolarHBondContact O-N 2.65Å; L540-L543 PolarHBondContact O-N 3.43Å; L543-F594 HydrophobicContact CD2-CD1 4.25Å; L543-F594 HydrophobicContact CD2-CD2 3.86Å; L543-F594 HydrophobicContact CD2-CE1 3.85Å; L543-F594 HydrophobicContact CD2-CE2 3.41Å; L543-F594 VanDerWaalsContact CD2-CE2 3.41Å; L543-F594 HydrophobicContact CD2-CG 4.26Å; L543-F594 HydrophobicContact CD2-CZ 3.42Å; L543-F594 VanDerWaalsContact CD2-CZ 3.42Å |
| 544 | E | 93.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 12.2 Ų | 12.2 | 3% | 0.028 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -89.1 | -30.3 | -173.4 | -70 | -69.5 | 162.1 | 0 | 0 | 113 | V467 R469 H470 L540 | V467-E544 HydrophobicContact CG1-CB 3.94Å; V467-E544 HydrophobicContact CG1-CG 4Å; V467-E544 WeakPolarHBondContact O-CG 3.4Å; R469-E544 IonicContact CZ-OE2 3.55Å; R469-E544 PolarHBondContact N-OE1 3.11Å; R469-E544 IonicContact NE-OE2 3.68Å; R469-E544 PolarHBondContact NE-OE2 3.16Å; R469-E544 PolarHBondContact NH2-O 2.88Å; R469-E544 IonicContact NH2-OE2 2.9Å; R469-E544 PolarHBondContact NH2-OE2 3.44Å; H470-E544 IonicContact CE1-OE1 2.77Å; H470-E544 IonicContact CE1-OE2 2.82Å; H470-E544 PolarHBondContact CE1-OE2 3.36Å; H470-E544 IonicContact CG-OE1 3.18Å; H470-E544 PolarHBondContact N-OE1 2.77Å; H470-E544 IonicContact ND1-OE1 2.73Å; H470-E544 PolarHBondContact ND1-OE1 3.14Å; H470-E544 IonicContact ND1-OE2 3.55Å; H470-E544 PolarHBondContact ND1-OE2 3.23Å; L540-E544 VanDerWaalsContact O-CB 3.29Å; L540-E544 WeakPolarHBondContact O-CB 3.37Å; L540-E544 WeakPolarHBondContact O-CG 3.31Å; L540-E544 PolarHBondContact O-N 2.7Å |
| 545 | L | 92.6 | Very high | 94 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.026 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -123.7 | 20.1 | -174 | -64.5 | 173.6 | 0 | 0 | 0 | 113.2 | L432 D502 F505 V506 L541 C547 V550 | L432-L545 HydrophobicContact CD1-CD1 4.21Å; L432-L545 HydrophobicContact CD1-CD2 3.41Å; L432-L545 VanDerWaalsContact CD1-CD2 3.41Å; L432-L545 HydrophobicContact CD1-CG 3.99Å; D502-L545 HydrophobicContact CB-CD2 3.91Å; F505-L545 HydrophobicContact CD1-CD1 3.81Å; F505-L545 HydrophobicContact CD1-CD2 4.1Å; F505-L545 HydrophobicContact CE1-CD1 3.56Å; V506-L545 HydrophobicContact CG2-CB 4.32Å; V506-L545 HydrophobicContact CG2-CD1 4.36Å; V506-L545 HydrophobicContact CG2-CD2 4.03Å; V506-L545 HydrophobicContact CG2-CG 4.5Å; L541-L545 HydrophobicContact CD2-CD1 3.81Å; L541-L545 CarbonylContact O-C 3.55Å; L541-L545 WeakPolarHBondContact O-CA 3.19Å; L541-L545 VanDerWaalsContact O-CB 3.3Å; L541-L545 WeakPolarHBondContact O-CB 3.22Å; L541-L545 PolarHBondContact O-N 3.37Å; L545-C547 PolarHBondContact O-N 3.38Å; L545-C547 PolarHBondContact O-SG 2.92Å; L545-V550 HydrophobicContact CB-CG1 4.24Å; L545-V550 WeakPolarHBondContact O-CB 3.37Å |
| 546 | G | 86.7 | Confident | 93.9 | Very high | 35 Ų | 35 | 12.2 Ų | 12.2 | 36% | 0.361 | 8% | 0.075 | S | C | . | . | trans | -63.1 | 52 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | F542 I551 | F542-G546 WeakPolarHBondContact O-CA 3.48Å; F542-G546 PolarHBondContact O-N 2.97Å; F542-G546 VanDerWaalsContact O-N 3.14Å; G546-I551 WeakPolarHBondContact O-CD1 3.1Å | ||
| 547 | C | 89.9 | Confident | 93.8 | Very high | 18 Ų | 18 | 12.1 Ų | 12.1 | 12% | 0.122 | 8% | 0.075 | C | C | . | . | trans | -81.4 | 157.1 | 162 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | F498 L545 S549 V550 I551 | F498-C547 HydrophobicContact CD1-CB 3.9Å; F498-C547 HydrophobicContact CD2-CB 3.71Å; F498-C547 HydrophobicContact CE1-CB 3.83Å; F498-C547 HydrophobicContact CE2-CB 3.65Å; F498-C547 VanDerWaalsContact CE2-SG 3.55Å; F498-C547 HydrophobicContact CG-CB 3.81Å; F498-C547 HydrophobicContact CZ-CB 3.68Å; F498-C547 VanDerWaalsContact CZ-SG 3.54Å; L545-C547 PolarHBondContact O-N 3.38Å; L545-C547 PolarHBondContact O-SG 2.92Å; C547-S549 PolarHBondContact O-N 3.41Å; C547-S549 VanDerWaalsContact O-N 3.12Å; C547-S549 PolarHBondContact SG-OG 3.3Å; C547-V550 PolarHBondContact O-N 2.98Å; C547-V550 WeakPolarHBondContact SG-CG2 3.48Å; C547-I551 WeakPolarHBondContact O-CG1 3.34Å; C547-I551 PolarHBondContact O-N 3.06Å | ||
| 548 | E | 89.8 | Confident | 93.7 | Very high | 87 Ų | 87 | 11.8 Ų | 11.8 | 41% | 0.407 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -47.5 | -46.2 | -177.2 | -166.4 | -173.3 | 160.9 | 0 | 0 | 113 | V550 I551 L552 Y676 D677 | E548-V550 PolarHBondContact O-N 3.21Å; E548-I551 PolarHBondContact O-N 3.06Å; E548-L552 HydrophobicContact CG-CD1 4.12Å; E548-L552 WeakPolarHBondContact O-CB 3.31Å; E548-L552 VanDerWaalsContact O-CG 3.23Å; E548-L552 WeakPolarHBondContact O-CG 3.22Å; E548-L552 PolarHBondContact O-N 3.33Å; E548-Y676 HydrophobicContact CB-CD1 4.44Å; E548-Y676 HydrophobicContact CB-CE1 4.39Å; E548-Y676 HydrophobicContact CG-CD1 3.49Å; E548-Y676 VanDerWaalsContact CG-CD1 3.49Å; E548-Y676 HydrophobicContact CG-CE1 3.89Å; E548-Y676 HydrophobicContact CG-CG 4.34Å; E548-D677 PolarHBondContact OE1-N 2.99Å |
| 549 | S | 88.8 | Confident | 93.4 | Very high | 47 Ų | 47 | 12.6 Ų | 12.6 | 33% | 0.329 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -62.8 | -42.2 | -179.5 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | C547 D553 R680 | C547-S549 PolarHBondContact O-N 3.41Å; C547-S549 VanDerWaalsContact O-N 3.12Å; C547-S549 PolarHBondContact SG-OG 3.3Å; S549-D553 WeakPolarHBondContact O-CB 3.36Å; S549-D553 VanDerWaalsContact O-CG 3.25Å; S549-D553 PolarHBondContact O-N 3.1Å; S549-D553 VanDerWaalsContact O-OD2 3.04Å; S549-R680 PolarHBondContact O-NH1 3.35Å |
| 550 | V | 92.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -72.7 | -41 | -178.7 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | V506 L545 C547 E548 L552 D553 L554 | V506-V550 HydrophobicContact CB-CG2 4.25Å; V506-V550 HydrophobicContact CG1-CG2 3.47Å; V506-V550 VanDerWaalsContact CG1-CG2 3.47Å; V506-V550 HydrophobicContact CG2-CG2 3.68Å; L545-V550 HydrophobicContact CB-CG1 4.24Å; L545-V550 WeakPolarHBondContact O-CB 3.37Å; C547-V550 PolarHBondContact O-N 2.98Å; C547-V550 WeakPolarHBondContact SG-CG2 3.48Å; E548-V550 PolarHBondContact O-N 3.21Å; V550-L552 PolarHBondContact O-N 3.37Å; V550-D553 PolarHBondContact O-N 3.48Å; V550-L554 HydrophobicContact CG1-CD1 3.84Å; V550-L554 HydrophobicContact CG1-CG 4.29Å; V550-L554 WeakPolarHBondContact O-CB 3.37Å; V550-L554 WeakPolarHBondContact O-CG 3.41Å; V550-L554 PolarHBondContact O-N 3.43Å |
| 551 | I | 93.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 13.2 Ų | 13.2 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 176.1 | -66.6 | 172.3 | 0 | 0 | 0 | 109.9 | F542 G546 C547 E548 D553 L554 F555 L595 Y676 | F542-I551 HydrophobicContact CD2-CG1 3.92Å; F542-I551 HydrophobicContact CE2-CD1 4.05Å; F542-I551 HydrophobicContact CE2-CG1 3.8Å; F542-I551 HydrophobicContact CE2-CG2 4.09Å; G546-I551 WeakPolarHBondContact O-CD1 3.1Å; C547-I551 WeakPolarHBondContact O-CG1 3.34Å; C547-I551 PolarHBondContact O-N 3.06Å; E548-I551 PolarHBondContact O-N 3.06Å; I551-D553 PolarHBondContact O-N 3.22Å; I551-L554 PolarHBondContact O-N 3.07Å; I551-F555 HydrophobicContact CG2-CD2 3.91Å; I551-F555 HydrophobicContact CG2-CE2 3.76Å; I551-F555 VanDerWaalsContact O-CD2 3.29Å; I551-F555 WeakPolarHBondContact O-CD2 3.45Å; I551-F555 PolarHBondContact O-N 3.44Å; I551-L595 HydrophobicContact CG2-CD1 4.2Å; I551-Y676 HydrophobicContact CB-CE1 4.3Å; I551-Y676 HydrophobicContact CD1-CE1 4.13Å; I551-Y676 HydrophobicContact CG2-CE1 4.04Å |
| 552 | L | 93.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 13 Ų | 13 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 177.5 | -68.2 | 172.3 | 0 | 0 | 0 | 111.7 | E548 V550 L554 F555 R556 L671 Y676 D677 L681 | E548-L552 HydrophobicContact CG-CD1 4.12Å; E548-L552 WeakPolarHBondContact O-CB 3.31Å; E548-L552 VanDerWaalsContact O-CG 3.23Å; E548-L552 WeakPolarHBondContact O-CG 3.22Å; E548-L552 PolarHBondContact O-N 3.33Å; V550-L552 PolarHBondContact O-N 3.37Å; L552-L554 VanDerWaalsContact C-N 3.35Å; L552-L554 PolarHBondContact O-N 3.49Å; L552-F555 PolarHBondContact O-N 3.28Å; L552-R556 VanDerWaalsContact O-CG 3.25Å; L552-R556 WeakPolarHBondContact O-CG 3.39Å; L552-R556 PolarHBondContact O-N 2.66Å; L552-L671 HydrophobicContact CD2-CD1 4.1Å; L552-Y676 HydrophobicContact CD2-CD1 4.27Å; L552-Y676 HydrophobicContact CG-CD1 4.31Å; L552-D677 WeakPolarHBondContact CD1-O 3.06Å; L552-L681 HydrophobicContact CD2-CD1 3.98Å; L552-L681 HydrophobicContact CD2-CD2 3.99Å; L552-L681 HydrophobicContact CD2-CG 3.92Å |
| 553 | D | 93.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.8 | -29.7 | 179.6 | -71.8 | -37.9 | 0 | 0 | 0 | 113.1 | L514 S549 V550 I551 R556 L557 R680 | L514-D553 HydrophobicContact CD1-CB 3.49Å; L514-D553 VanDerWaalsContact CD1-CB 3.49Å; S549-D553 WeakPolarHBondContact O-CB 3.36Å; S549-D553 VanDerWaalsContact O-CG 3.25Å; S549-D553 PolarHBondContact O-N 3.1Å; S549-D553 VanDerWaalsContact O-OD2 3.04Å; V550-D553 PolarHBondContact O-N 3.48Å; I551-D553 PolarHBondContact O-N 3.22Å; D553-R556 PolarHBondContact O-N 3.3Å; D553-R556 IonicContact OD1-CZ 2.89Å; D553-R556 IonicContact OD1-NH1 3.8Å; D553-R556 PolarHBondContact OD1-NH1 3Å; D553-L557 PolarHBondContact O-N 3.26Å; D553-R680 IonicContact OD1-CZ 3.35Å; D553-R680 IonicContact OD1-NH1 3.53Å; D553-R680 IonicContact OD1-NH2 2.77Å; D553-R680 PolarHBondContact OD1-NH2 3.39Å; D553-R680 IonicContact OD2-CZ 2.69Å; D553-R680 IonicContact OD2-NH1 3.37Å; D553-R680 PolarHBondContact OD2-NH1 2.92Å; D553-R680 IonicContact OD2-NH2 3.04Å; D553-R680 PolarHBondContact OD2-NH2 2.92Å |
| 554 | L | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.8 | -39.7 | 170.8 | -75.1 | 165.8 | 0 | 0 | 0 | 112.1 | L514 M538 L541 F542 V550 I551 L552 R556 L557 A558 F587 | L514-L554 HydrophobicContact CD2-CD2 3.45Å; L514-L554 VanDerWaalsContact CD2-CD2 3.45Å; L514-L554 HydrophobicContact CD2-CG 4.1Å; M538-L554 HydrophobicContact CB-CD2 4.25Å; M538-L554 HydrophobicContact CG-CD2 4.37Å; L541-L554 HydrophobicContact CB-CD1 4.33Å; L541-L554 HydrophobicContact CB-CD2 4.45Å; F542-L554 HydrophobicContact CB-CD1 3.83Å; V550-L554 HydrophobicContact CG1-CD1 3.84Å; V550-L554 HydrophobicContact CG1-CG 4.29Å; V550-L554 WeakPolarHBondContact O-CB 3.37Å; V550-L554 WeakPolarHBondContact O-CG 3.41Å; V550-L554 PolarHBondContact O-N 3.43Å; I551-L554 PolarHBondContact O-N 3.07Å; L552-L554 VanDerWaalsContact C-N 3.35Å; L552-L554 PolarHBondContact O-N 3.49Å; L554-R556 VanDerWaalsContact C-N 3.32Å; L554-L557 WeakPolarHBondContact O-CB 3.49Å; L554-L557 PolarHBondContact O-N 3.1Å; L554-A558 PolarHBondContact O-N 2.98Å; L554-F587 HydrophobicContact CB-CE1 4.04Å; L554-F587 HydrophobicContact CB-CE2 4.27Å; L554-F587 HydrophobicContact CB-CZ 3.49Å; L554-F587 VanDerWaalsContact CB-CZ 3.49Å; L554-F587 HydrophobicContact CD1-CE2 4.29Å; L554-F587 HydrophobicContact CD1-CZ 4.14Å; L554-F587 HydrophobicContact CD2-CE2 4.5Å; L554-F587 HydrophobicContact CD2-CZ 4.48Å; L554-F587 HydrophobicContact CG-CZ 4.26Å |
| 555 | F | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 170.4 | -82.3 | -62.4 | 0 | 0 | 0 | 112 | I551 L552 L557 A558 M559 F587 V588 A591 L595 L667 L671 L681 | I551-F555 HydrophobicContact CG2-CD2 3.91Å; I551-F555 HydrophobicContact CG2-CE2 3.76Å; I551-F555 VanDerWaalsContact O-CD2 3.29Å; I551-F555 WeakPolarHBondContact O-CD2 3.45Å; I551-F555 PolarHBondContact O-N 3.44Å; L552-F555 PolarHBondContact O-N 3.28Å; F555-L557 VanDerWaalsContact C-N 3.32Å; F555-L557 PolarHBondContact O-N 2.85Å; F555-A558 PolarHBondContact O-N 2.89Å; F555-M559 WeakPolarHBondContact O-CG 3.49Å; F555-M559 PolarHBondContact O-N 3.46Å; F555-F587 HydrophobicContact CD1-CE1 4.35Å; F555-F587 HydrophobicContact CE1-CE1 4.48Å; F555-V588 HydrophobicContact CE1-CG2 4.42Å; F555-A591 HydrophobicContact CE1-CB 4.3Å; F555-A591 HydrophobicContact CE2-CB 4.49Å; F555-A591 HydrophobicContact CZ-CB 3.8Å; F555-L595 HydrophobicContact CE2-CD1 3.77Å; F555-L595 HydrophobicContact CZ-CD1 4.04Å; F555-L667 HydrophobicContact CB-CD2 4.11Å; F555-L667 HydrophobicContact CD1-CD1 3.89Å; F555-L667 HydrophobicContact CD1-CD2 3.85Å; F555-L667 HydrophobicContact CE1-CD1 3.8Å; F555-L667 HydrophobicContact CG-CD1 4.35Å; F555-L667 HydrophobicContact CG-CD2 4.1Å; F555-L667 HydrophobicContact CZ-CD1 4.17Å; F555-L671 HydrophobicContact CD2-CD1 4.01Å; F555-L671 HydrophobicContact CE2-CD1 4.22Å; F555-L671 HydrophobicContact CE2-CD2 4.14Å; F555-L681 HydrophobicContact CB-CD2 4.05Å |
| 556 | R | 94.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | 172.9 | -67.9 | 170 | 72.2 | -152.5 | 3.8 | 112 | L552 D553 L554 M559 A560 R680 L681 Q683 F685 S688 | L552-R556 VanDerWaalsContact O-CG 3.25Å; L552-R556 WeakPolarHBondContact O-CG 3.39Å; L552-R556 PolarHBondContact O-N 2.66Å; D553-R556 PolarHBondContact O-N 3.3Å; D553-R556 IonicContact OD1-CZ 2.89Å; D553-R556 IonicContact OD1-NH1 3.8Å; D553-R556 PolarHBondContact OD1-NH1 3Å; L554-R556 VanDerWaalsContact C-N 3.32Å; R556-M559 HydrophobicContact CB-CE 4.37Å; R556-M559 HydrophobicContact CG-CE 3.96Å; R556-A560 WeakPolarHBondContact O-CB 3.29Å; R556-A560 PolarHBondContact O-N 3.48Å; R556-R680 WeakPolarHBondContact CD-O 3.34Å; R556-R680 PolarHBondContact NE-O 2.76Å; R556-R680 VanDerWaalsContact NE-O 3.12Å; R556-L681 HydrophobicContact CG-CD2 4.01Å; R556-Q683 PolarHBondContact NE-O 3.46Å; R556-Q683 PolarHBondContact NH2-O 3.08Å; R556-F685 HydrophobicContact CB-CD2 3.77Å; R556-S688 PolarHBondContact NH2-OG 3.36Å; R556-S688 VanDerWaalsContact NH2-OG 3.13Å |
| 557 | L | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 171.2 | 173.6 | 59.5 | 0 | 0 | 0 | 110.6 | L514 L517 Y518 M538 D553 L554 F555 M559 A560 L561 F685 | L514-L557 HydrophobicContact CD2-CD2 3.93Å; L517-L557 HydrophobicContact CB-CD2 4.01Å; L517-L557 HydrophobicContact CD1-CD2 4.34Å; Y518-L557 HydrophobicContact CD2-CD1 4.06Å; Y518-L557 HydrophobicContact CG-CD1 4.38Å; M538-L557 HydrophobicContact CE-CD2 3.86Å; M538-L557 HydrophobicContact CE-CG 4.03Å; M538-L557 HydrophobicContact CG-CD2 4.14Å; M538-L557 HydrophobicContact SD-CD2 3.96Å; M538-L557 HydrophobicContact SD-CG 4.46Å; D553-L557 PolarHBondContact O-N 3.26Å; L554-L557 WeakPolarHBondContact O-CB 3.49Å; L554-L557 PolarHBondContact O-N 3.1Å; F555-L557 VanDerWaalsContact C-N 3.32Å; F555-L557 PolarHBondContact O-N 2.85Å; L557-M559 VanDerWaalsContact C-N 3.33Å; L557-M559 PolarHBondContact O-N 3.48Å; L557-A560 WeakPolarHBondContact O-CB 3.44Å; L557-A560 PolarHBondContact O-N 3.45Å; L557-L561 HydrophobicContact CD1-CD1 4.43Å; L557-L561 HydrophobicContact CD1-CD2 4.48Å; L557-L561 HydrophobicContact CD1-CG 4.18Å; L557-L561 HydrophobicContact CG-CD1 4.42Å; L557-L561 WeakPolarHBondContact O-CG 3.29Å; L557-L561 PolarHBondContact O-N 2.98Å; L557-F685 HydrophobicContact CB-CE2 3.88Å; L557-F685 HydrophobicContact CB-CZ 3.95Å; L557-F685 HydrophobicContact CD1-CE1 3.94Å; L557-F685 HydrophobicContact CD1-CZ 3.78Å; L557-F685 HydrophobicContact CG-CZ 4.42Å |
| 558 | A | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L554 F555 L561 Q562 V584 F587 | L554-A558 PolarHBondContact O-N 2.98Å; F555-A558 PolarHBondContact O-N 2.89Å; A558-L561 PolarHBondContact O-N 3.33Å; A558-Q562 PolarHBondContact O-N 2.84Å; A558-V584 HydrophobicContact CB-CG1 4.38Å; A558-V584 WeakPolarHBondContact O-CG2 3.41Å; A558-F587 HydrophobicContact CB-CD1 4.04Å; A558-F587 HydrophobicContact CB-CE1 4.44Å |
| 559 | M | 93.2 | Very high | 90.1 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 172.3 | -71.5 | -173.8 | -64.2 | 0 | 0 | 111.4 | F555 R556 L557 L561 Q562 H563 L662 L667 L681 | F555-M559 WeakPolarHBondContact O-CG 3.49Å; F555-M559 PolarHBondContact O-N 3.46Å; R556-M559 HydrophobicContact CB-CE 4.37Å; R556-M559 HydrophobicContact CG-CE 3.96Å; L557-M559 VanDerWaalsContact C-N 3.33Å; L557-M559 PolarHBondContact O-N 3.48Å; M559-L561 VanDerWaalsContact C-N 3.31Å; M559-L561 PolarHBondContact O-N 3.47Å; M559-Q562 WeakPolarHBondContact O-CB 3.38Å; M559-Q562 PolarHBondContact O-N 3.27Å; M559-H563 PolarHBondContact O-N 3.19Å; M559-H563 PolarHBondContact O-ND1 3.24Å; M559-L662 HydrophobicContact CG-CD2 3.78Å; M559-L667 HydrophobicContact SD-CD2 4.22Å; M559-L681 HydrophobicContact CE-CB 4.19Å; M559-L681 HydrophobicContact CE-CD2 3.76Å; M559-L681 WeakPolarHBondContact CE-O 3.3Å |
| 560 | A | 93.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 35.6 Ų | 35.6 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y518 R556 L557 H563 A564 F685 | Y518-A560 HydrophobicContact CD2-CB 4.05Å; Y518-A560 HydrophobicContact CE2-CB 3.93Å; R556-A560 WeakPolarHBondContact O-CB 3.29Å; R556-A560 PolarHBondContact O-N 3.48Å; L557-A560 WeakPolarHBondContact O-CB 3.44Å; L557-A560 PolarHBondContact O-N 3.45Å; A560-H563 PolarHBondContact O-N 2.77Å; A560-A564 PolarHBondContact O-N 2.74Å; A560-F685 HydrophobicContact CB-CB 3.71Å; A560-F685 HydrophobicContact CB-CD1 3.62Å; A560-F685 HydrophobicContact CB-CE1 4.44Å; A560-F685 HydrophobicContact CB-CG 3.79Å |
| 561 | L | 93.5 | Very high | 89 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174 | -68.3 | 179.9 | 0 | 0 | 0 | 111.8 | Y518 S521 M522 M538 L557 A558 M559 A564 I565 I580 I583 V584 | Y518-L561 HydrophobicContact CD2-CD2 3.85Å; Y518-L561 HydrophobicContact CE2-CD2 4.22Å; S521-L561 WeakPolarHBondContact OG-CD2 3.42Å; M522-L561 HydrophobicContact CE-CD2 3.64Å; M538-L561 HydrophobicContact SD-CD1 4.43Å; L557-L561 HydrophobicContact CD1-CD1 4.43Å; L557-L561 HydrophobicContact CD1-CD2 4.48Å; L557-L561 HydrophobicContact CD1-CG 4.18Å; L557-L561 HydrophobicContact CG-CD1 4.42Å; L557-L561 WeakPolarHBondContact O-CG 3.29Å; L557-L561 PolarHBondContact O-N 2.98Å; A558-L561 PolarHBondContact O-N 3.33Å; M559-L561 VanDerWaalsContact C-N 3.31Å; M559-L561 PolarHBondContact O-N 3.47Å; L561-A564 PolarHBondContact O-N 3.3Å; L561-I565 WeakPolarHBondContact O-CG1 3.28Å; L561-I565 PolarHBondContact O-N 2.98Å; L561-I580 HydrophobicContact CB-CG2 3.71Å; L561-I580 HydrophobicContact CD2-CG2 4.2Å; L561-I580 HydrophobicContact CG-CG2 4.35Å; L561-I583 HydrophobicContact CD1-CG2 4.23Å; L561-V584 HydrophobicContact CB-CG2 3.73Å; L561-V584 HydrophobicContact CD1-CG2 4.33Å |
| 562 | Q | 92 | Very high | 88.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 173.6 | -179.2 | 179.6 | -82 | 0 | 0 | 111.9 | A558 M559 A564 I565 M566 S660 W661 L662 | A558-Q562 PolarHBondContact O-N 2.84Å; M559-Q562 WeakPolarHBondContact O-CB 3.38Å; M559-Q562 PolarHBondContact O-N 3.27Å; Q562-A564 VanDerWaalsContact C-N 3.27Å; Q562-A564 PolarHBondContact O-N 3.37Å; Q562-I565 PolarHBondContact O-N 3.32Å; Q562-I565 VanDerWaalsContact O-N 3.12Å; Q562-M566 HydrophobicContact CG-CG 4.3Å; Q562-M566 VanDerWaalsContact O-CG 3.27Å; Q562-M566 WeakPolarHBondContact O-CG 3.25Å; Q562-M566 PolarHBondContact O-N 3.42Å; Q562-S660 PolarHBondContact NE2-OG 3.06Å; Q562-W661 HydrophobicContact CG-CE3 4.19Å; Q562-W661 HydrophobicContact CG-CZ3 4.39Å; Q562-L662 PolarHBondContact NE2-O 3.08Å; Q562-L662 VanDerWaalsContact OE1-CB 3.27Å |
| 563 | H | 90.3 | Very high | 88.3 | Confident | 121 Ų | 121 | 44.5 Ų | 44.5 | 56% | 0.56 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.9 | -37.6 | 178.8 | -73.2 | 84.6 | 0 | 0 | 0 | 111.7 | M559 A560 I565 M566 D567 | M559-H563 PolarHBondContact O-N 3.19Å; M559-H563 PolarHBondContact O-ND1 3.24Å; A560-H563 PolarHBondContact O-N 2.77Å; H563-I565 VanDerWaalsContact C-N 3.3Å; H563-I565 PolarHBondContact O-N 3.13Å; H563-M566 PolarHBondContact O-N 2.76Å; H563-D567 PolarHBondContact O-N 3.41Å |
| 564 | A | 88.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M522 A560 L561 Q562 S570 L572 | M522-A564 HydrophobicContact CE-CB 4.21Å; M522-A564 HydrophobicContact SD-CB 4.01Å; A560-A564 PolarHBondContact O-N 2.74Å; L561-A564 PolarHBondContact O-N 3.3Å; Q562-A564 VanDerWaalsContact C-N 3.27Å; Q562-A564 PolarHBondContact O-N 3.37Å; A564-S570 WeakPolarHBondContact O-CB 3.2Å; A564-S570 PolarHBondContact O-OG 2.76Å; A564-L572 HydrophobicContact CB-CD1 4.41Å |
| 565 | I | 88.2 | Confident | 87.4 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.4 | -36 | 174.9 | -59.1 | 160.8 | 0 | 0 | 0 | 111.8 | L561 Q562 H563 R577 I580 K581 W661 | L561-I565 WeakPolarHBondContact O-CG1 3.28Å; L561-I565 PolarHBondContact O-N 2.98Å; Q562-I565 PolarHBondContact O-N 3.32Å; Q562-I565 VanDerWaalsContact O-N 3.12Å; H563-I565 VanDerWaalsContact C-N 3.3Å; H563-I565 PolarHBondContact O-N 3.13Å; I565-R577 HydrophobicContact CG2-CB 3.79Å; I565-R577 HydrophobicContact CG2-CG 3.86Å; I565-R577 PolarHBondContact O-NH1 3.35Å; I565-I580 HydrophobicContact CD1-CB 3.72Å; I565-I580 HydrophobicContact CD1-CG2 3.54Å; I565-I580 HydrophobicContact CG1-CB 4.02Å; I565-I580 HydrophobicContact CG1-CG2 3.87Å; I565-K581 HydrophobicContact CD1-CB 4.18Å; I565-W661 HydrophobicContact CB-CH2 4.33Å; I565-W661 HydrophobicContact CD1-CH2 4.08Å; I565-W661 HydrophobicContact CD1-CZ3 3.73Å; I565-W661 HydrophobicContact CG2-CH2 3.73Å; I565-W661 HydrophobicContact CG2-CZ3 4.41Å |
| 566 | M | 84.9 | Confident | 87.1 | Confident | 64 Ų | 64 | 52 Ų | 52 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -77.5 | -22.8 | -176.5 | -68 | -62.2 | -71.7 | 0 | 0 | 113.2 | Q562 H563 K568 A658 W661 | Q562-M566 HydrophobicContact CG-CG 4.3Å; Q562-M566 VanDerWaalsContact O-CG 3.27Å; Q562-M566 WeakPolarHBondContact O-CG 3.25Å; Q562-M566 PolarHBondContact O-N 3.42Å; H563-M566 PolarHBondContact O-N 2.76Å; M566-K568 PolarHBondContact O-N 2.87Å; M566-A658 HydrophobicContact CE-CB 4.2Å; M566-A658 WeakPolarHBondContact CE-O 3.44Å; M566-W661 HydrophobicContact SD-CZ2 4.49Å |
| 567 | D | 83.9 | Confident | 86.9 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | trans | -67.1 | 118.6 | 177.5 | -170.9 | 2.1 | 0 | 0 | 0 | 110.4 | H563 E569 S570 | H563-D567 PolarHBondContact O-N 3.41Å; D567-E569 PolarHBondContact O-N 2.95Å; D567-E569 PolarHBondContact OD1-N 3.48Å; D567-E569 VanDerWaalsContact OD1-N 3.09Å; D567-S570 WeakPolarHBondContact O-CB 3.5Å; D567-S570 PolarHBondContact O-N 2.98Å; D567-S570 PolarHBondContact O-OG 3.13Å | ||
| 568 | K | 72.3 | Confident | 86.5 | Confident | 200 Ų | 200 | 55.1 Ų | 55.1 | 87% | 0.87 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -21.7 | 179.8 | -66.9 | -174.3 | 178.8 | -176.7 | 0 | 112.4 | M566 S570 | M566-K568 PolarHBondContact O-N 2.87Å; K568-S570 VanDerWaalsContact C-N 3.3Å |
| 569 | E | 75.7 | Confident | 86.3 | Confident | 179 Ų | 179 | 57.2 Ų | 57.2 | 84% | 0.836 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.8 | 178.3 | -62.3 | -175.3 | 176.7 | 0 | 0 | 112.5 | D567 A571 | D567-E569 PolarHBondContact O-N 2.95Å; D567-E569 PolarHBondContact OD1-N 3.48Å; D567-E569 VanDerWaalsContact OD1-N 3.09Å; E569-A571 PolarHBondContact O-N 3.4Å |
| 570 | S | 75.6 | Confident | 86.3 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | trans | -68.7 | 130.5 | -179.9 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | A564 D567 K568 L572 R577 | A564-S570 WeakPolarHBondContact O-CB 3.2Å; A564-S570 PolarHBondContact O-OG 2.76Å; D567-S570 WeakPolarHBondContact O-CB 3.5Å; D567-S570 PolarHBondContact O-N 2.98Å; D567-S570 PolarHBondContact O-OG 3.13Å; K568-S570 VanDerWaalsContact C-N 3.3Å; S570-L572 PolarHBondContact O-N 3.02Å; S570-R577 PolarHBondContact O-NH2 2.95Å; S570-R577 PolarHBondContact OG-NH1 2.98Å; S570-R577 PolarHBondContact OG-NH2 3.38Å | ||
| 571 | A | 81.4 | Confident | 86.2 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 87% | 0.868 | 30% | 0.303 | S | S | * | . | trans | -74.3 | 18.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E569 | E569-A571 PolarHBondContact O-N 3.4Š| ||
| 572 | L | 85.7 | Confident | 86.1 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | trans | -76.6 | 131.6 | -176.3 | -66.6 | 170.9 | 0 | 0 | 0 | 111.2 | M522 A564 S570 Q576 R577 I580 | M522-L572 HydrophobicContact SD-CD1 4.23Å; M522-L572 HydrophobicContact SD-CD2 4.09Å; A564-L572 HydrophobicContact CB-CD1 4.41Å; S570-L572 PolarHBondContact O-N 3.02Å; L572-Q576 HydrophobicContact CD2-CB 4.3Å; L572-R577 HydrophobicContact CB-CG 4Å; L572-R577 PolarHBondContact O-NE 3.05Å; L572-R577 PolarHBondContact O-NH2 3.09Å; L572-I580 HydrophobicContact CD1-CD1 4.11Å; L572-I580 HydrophobicContact CD2-CD1 4.23Å | ||
| 573 | T | 86.9 | Confident | 86.1 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 48% | 0.479 | 31% | 0.311 | S | S | . | . | trans | -70.5 | 157.8 | 174.2 | 77.4 | 0 | 0 | 0 | 0 | 110.9 | C575 Q576 R577 | T573-C575 PolarHBondContact O-N 3.36Å; T573-Q576 PolarHBondContact O-N 3.35Å; T573-Q576 VanDerWaalsContact O-N 3.12Å; T573-Q576 WeakPolarHBondContact OG1-CG 3.36Å; T573-Q576 PolarHBondContact OG1-N 3.36Å; T573-R577 WeakPolarHBondContact O-CG 3.23Å; T573-R577 PolarHBondContact O-N 2.97Å | ||
| 574 | T | 84.7 | Confident | 86.3 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | 178.3 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | R577 V578 L653 | T574-R577 WeakPolarHBondContact O-CB 3.26Å; T574-R577 PolarHBondContact O-N 3.17Å; T574-V578 WeakPolarHBondContact O-CG2 3.46Å; T574-V578 PolarHBondContact O-N 2.97Å; T574-V578 VanDerWaalsContact O-N 3.09Å; T574-L653 HydrophobicContact CG2-CB 4.42Å |
| 575 | C | 85.6 | Confident | 86.5 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.8 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | T573 R577 V578 H579 | T573-C575 PolarHBondContact O-N 3.36Å; C575-R577 VanDerWaalsContact C-N 3.32Å; C575-R577 PolarHBondContact O-N 2.98Å; C575-V578 PolarHBondContact O-N 3.14Å; C575-H579 PolarHBondContact O-CD2 3.4Å; C575-H579 PolarHBondContact O-N 3.47Å |
| 576 | Q | 89.4 | Confident | 86.8 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.8 | -62.4 | -179 | -64.2 | 0 | 0 | 111.2 | M523 Y531 L572 T573 V578 H579 I580 | M523-Q576 PolarHBondContact O-NE2 3.15Å; Y531-Q576 VanDerWaalsContact OH-CG 3.27Å; Y531-Q576 WeakPolarHBondContact OH-CG 3.45Å; L572-Q576 HydrophobicContact CD2-CB 4.3Å; T573-Q576 PolarHBondContact O-N 3.35Å; T573-Q576 VanDerWaalsContact O-N 3.12Å; T573-Q576 WeakPolarHBondContact OG1-CG 3.36Å; T573-Q576 PolarHBondContact OG1-N 3.36Å; Q576-V578 VanDerWaalsContact C-N 3.29Å; Q576-V578 PolarHBondContact O-N 3.3Å; Q576-H579 PolarHBondContact O-N 2.87Å; Q576-I580 HydrophobicContact CB-CD1 4.38Å; Q576-I580 WeakPolarHBondContact O-CB 3.42Å; Q576-I580 WeakPolarHBondContact O-CD1 3.43Å; Q576-I580 WeakPolarHBondContact O-CG1 3.41Å; Q576-I580 PolarHBondContact O-N 3.11Å |
| 577 | R | 88.9 | Confident | 87.3 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58 | -42.1 | 178.7 | -67.7 | 178.8 | -164.4 | -90.5 | -6.9 | 111.9 | I565 S570 L572 T573 T574 C575 K581 | I565-R577 HydrophobicContact CG2-CB 3.79Å; I565-R577 HydrophobicContact CG2-CG 3.86Å; I565-R577 PolarHBondContact O-NH1 3.35Å; S570-R577 PolarHBondContact O-NH2 2.95Å; S570-R577 PolarHBondContact OG-NH1 2.98Å; S570-R577 PolarHBondContact OG-NH2 3.38Å; L572-R577 HydrophobicContact CB-CG 4Å; L572-R577 PolarHBondContact O-NE 3.05Å; L572-R577 PolarHBondContact O-NH2 3.09Å; T573-R577 WeakPolarHBondContact O-CG 3.23Å; T573-R577 PolarHBondContact O-N 2.97Å; T574-R577 WeakPolarHBondContact O-CB 3.26Å; T574-R577 PolarHBondContact O-N 3.17Å; C575-R577 VanDerWaalsContact C-N 3.32Å; C575-R577 PolarHBondContact O-N 2.98Å; R577-K581 WeakPolarHBondContact O-CB 3.36Å; R577-K581 PolarHBondContact O-N 3.03Å |
| 578 | V | 88.3 | Confident | 87.8 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | T574 C575 Q576 I580 K581 A582 L616 L656 | T574-V578 WeakPolarHBondContact O-CG2 3.46Å; T574-V578 PolarHBondContact O-N 2.97Å; T574-V578 VanDerWaalsContact O-N 3.09Å; C575-V578 PolarHBondContact O-N 3.14Å; Q576-V578 VanDerWaalsContact C-N 3.29Å; Q576-V578 PolarHBondContact O-N 3.3Å; V578-I580 PolarHBondContact O-N 3.38Å; V578-K581 WeakPolarHBondContact O-CB 3.46Å; V578-K581 PolarHBondContact O-N 3.44Å; V578-A582 PolarHBondContact O-N 3.35Å; V578-L616 HydrophobicContact CB-CD2 4.04Å; V578-L616 HydrophobicContact CG1-CD1 4Å; V578-L616 HydrophobicContact CG1-CD2 3.25Å; V578-L616 HydrophobicContact CG1-CG 4.25Å; V578-L616 HydrophobicContact CG2-CD1 4.5Å; V578-L616 HydrophobicContact CG2-CD2 4.25Å; V578-L656 HydrophobicContact CG2-CD1 4.25Å |
| 579 | H | 91 | Very high | 88.9 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 20% | 0.204 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 178.1 | -74.7 | -53 | 0 | 0 | 0 | 113 | Y531 C575 Q576 A582 I583 | Y531-H579 HydrophobicContact CD1-CB 3.87Å; Y531-H579 HydrophobicContact CD2-CB 3.42Å; Y531-H579 VanDerWaalsContact CD2-CB 3.42Å; Y531-H579 AromaticContact CD2-CD2 3.75Å; Y531-H579 AromaticContact CD2-CG 3.59Å; Y531-H579 HydrophobicContact CE1-CB 4.12Å; Y531-H579 HydrophobicContact CE2-CB 3.7Å; Y531-H579 AromaticContact CE2-CD2 3.78Å; Y531-H579 AromaticContact CE2-CG 3.95Å; Y531-H579 HydrophobicContact CG-CB 3.51Å; C575-H579 PolarHBondContact O-CD2 3.4Å; C575-H579 PolarHBondContact O-N 3.47Å; Q576-H579 PolarHBondContact O-N 2.87Å; H579-A582 WeakPolarHBondContact O-CB 3.47Å; H579-A582 PolarHBondContact O-N 3.39Å; H579-I583 WeakPolarHBondContact O-CG1 3.23Å; H579-I583 PolarHBondContact O-N 2.81Å |
| 580 | I | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 175.7 | -61.2 | 160.5 | 0 | 0 | 0 | 110.2 | M522 Y531 L561 I565 L572 Q576 V578 A582 I583 V584 | M522-I580 HydrophobicContact CE-CD1 3.59Å; M522-I580 HydrophobicContact CE-CG1 4.36Å; Y531-I580 HydrophobicContact CD1-CG1 4.41Å; Y531-I580 HydrophobicContact CE1-CG1 3.84Å; L561-I580 HydrophobicContact CB-CG2 3.71Å; L561-I580 HydrophobicContact CD2-CG2 4.2Å; L561-I580 HydrophobicContact CG-CG2 4.35Å; I565-I580 HydrophobicContact CD1-CB 3.72Å; I565-I580 HydrophobicContact CD1-CG2 3.54Å; I565-I580 HydrophobicContact CG1-CB 4.02Å; I565-I580 HydrophobicContact CG1-CG2 3.87Å; L572-I580 HydrophobicContact CD1-CD1 4.11Å; L572-I580 HydrophobicContact CD2-CD1 4.23Å; Q576-I580 HydrophobicContact CB-CD1 4.38Å; Q576-I580 WeakPolarHBondContact O-CB 3.42Å; Q576-I580 WeakPolarHBondContact O-CD1 3.43Å; Q576-I580 WeakPolarHBondContact O-CG1 3.41Å; Q576-I580 PolarHBondContact O-N 3.11Å; V578-I580 PolarHBondContact O-N 3.38Å; I580-A582 VanDerWaalsContact C-N 3.29Å; I580-A582 PolarHBondContact O-N 3.11Å; I580-I583 PolarHBondContact O-N 2.8Å; I580-V584 WeakPolarHBondContact O-CG2 3.33Å; I580-V584 PolarHBondContact O-N 3.02Å |
| 581 | K | 91 | Very high | 90.7 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 172.4 | 178 | 176.4 | -178.3 | -179.3 | 0 | 110.8 | I565 R577 V578 V584 A585 L656 W661 | I565-K581 HydrophobicContact CD1-CB 4.18Å; R577-K581 WeakPolarHBondContact O-CB 3.36Å; R577-K581 PolarHBondContact O-N 3.03Å; V578-K581 WeakPolarHBondContact O-CB 3.46Å; V578-K581 PolarHBondContact O-N 3.44Å; K581-V584 PolarHBondContact O-N 3.08Å; K581-A585 PolarHBondContact O-N 3.5Å; K581-L656 HydrophobicContact CD-CD2 3.89Å; K581-W661 HydrophobicContact CB-CE3 4.32Å; K581-W661 HydrophobicContact CB-CH2 4.02Å; K581-W661 HydrophobicContact CB-CZ3 3.68Å; K581-W661 HydrophobicContact CD-CD2 4.03Å; K581-W661 HydrophobicContact CD-CE3 3.98Å; K581-W661 HydrophobicContact CD-CH2 3.69Å; K581-W661 HydrophobicContact CD-CZ2 3.76Å; K581-W661 HydrophobicContact CD-CZ3 3.81Å; K581-W661 HydrophobicContact CG-CD2 4.2Å; K581-W661 HydrophobicContact CG-CE3 3.69Å; K581-W661 HydrophobicContact CG-CH2 3.92Å; K581-W661 HydrophobicContact CG-CZ2 4.43Å; K581-W661 HydrophobicContact CG-CZ3 3.53Å |
| 582 | A | 90.7 | Very high | 91.3 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V578 H579 I580 V584 A585 Q586 | V578-A582 PolarHBondContact O-N 3.35Å; H579-A582 WeakPolarHBondContact O-CB 3.47Å; H579-A582 PolarHBondContact O-N 3.39Å; I580-A582 VanDerWaalsContact C-N 3.29Å; I580-A582 PolarHBondContact O-N 3.11Å; A582-V584 VanDerWaalsContact C-N 3.31Å; A582-V584 PolarHBondContact O-N 3.2Å; A582-A585 PolarHBondContact O-N 3.43Å; A582-Q586 VanDerWaalsContact O-CB 3.32Å; A582-Q586 WeakPolarHBondContact O-CB 3.41Å; A582-Q586 WeakPolarHBondContact O-CG 3.35Å; A582-Q586 PolarHBondContact O-N 3.09Å |
| 583 | I | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.7 | -47.9 | 176 | -69.5 | 169.7 | 0 | 0 | 0 | 111.3 | Y531 I534 F535 M538 L561 H579 I580 Q586 F587 | Y531-I583 HydrophobicContact CD1-CD1 3.6Å; Y531-I583 HydrophobicContact CG-CD1 4.19Å; Y531-I583 WeakPolarHBondContact O-CD1 3.37Å; Y531-I583 WeakPolarHBondContact O-CG1 3.26Å; I534-I583 HydrophobicContact CB-CD1 4.12Å; I534-I583 HydrophobicContact CG2-CD1 4.09Å; F535-I583 HydrophobicContact CB-CG1 4.19Å; F535-I583 HydrophobicContact CB-CG2 4.26Å; M538-I583 HydrophobicContact SD-CG2 3.85Å; L561-I583 HydrophobicContact CD1-CG2 4.23Å; H579-I583 WeakPolarHBondContact O-CG1 3.23Å; H579-I583 PolarHBondContact O-N 2.81Å; I580-I583 PolarHBondContact O-N 2.8Å; I583-Q586 PolarHBondContact O-N 3.08Å; I583-F587 VanDerWaalsContact O-CB 3.25Å; I583-F587 WeakPolarHBondContact O-CB 3.08Å; I583-F587 PolarHBondContact O-N 3.32Å |
| 584 | V | 93.9 | Very high | 92 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.036 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | -179.3 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | A558 L561 I580 K581 A582 V588 | A558-V584 HydrophobicContact CB-CG1 4.38Å; A558-V584 WeakPolarHBondContact O-CG2 3.41Å; L561-V584 HydrophobicContact CB-CG2 3.73Å; L561-V584 HydrophobicContact CD1-CG2 4.33Å; I580-V584 WeakPolarHBondContact O-CG2 3.33Å; I580-V584 PolarHBondContact O-N 3.02Å; K581-V584 PolarHBondContact O-N 3.08Å; A582-V584 VanDerWaalsContact C-N 3.31Å; A582-V584 PolarHBondContact O-N 3.2Å; V584-V588 HydrophobicContact CG1-CG2 4.3Å; V584-V588 VanDerWaalsContact O-CB 3.24Å; V584-V588 WeakPolarHBondContact O-CB 3.43Å; V584-V588 WeakPolarHBondContact O-CG2 3.48Å; V584-V588 PolarHBondContact O-N 2.84Å |
| 585 | A | 92.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 17.2 Ų | 17.2 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K581 A582 F589 L607 L608 | K581-A585 PolarHBondContact O-N 3.5Å; A582-A585 PolarHBondContact O-N 3.43Å; A585-F589 VanDerWaalsContact O-CB 3.28Å; A585-F589 WeakPolarHBondContact O-CB 3.47Å; A585-F589 PolarHBondContact O-N 2.94Å; A585-L607 HydrophobicContact CB-CB 4.26Å; A585-L608 HydrophobicContact CB-CD2 3.67Å; A585-L608 HydrophobicContact CB-CG 4.01Å |
| 586 | Q | 94.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 17.1 Ų | 17.1 | 10% | 0.103 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 178.4 | -68.8 | 175.1 | -23.4 | 0 | 0 | 111.7 | F485 F535 A582 I583 F589 V590 L608 | F485-Q586 HydrophobicContact CE1-CB 4.06Å; F485-Q586 HydrophobicContact CE1-CG 4.09Å; F485-Q586 HydrophobicContact CE2-CG 3.95Å; F485-Q586 HydrophobicContact CZ-CB 3.84Å; F485-Q586 HydrophobicContact CZ-CG 3.45Å; F485-Q586 VanDerWaalsContact CZ-CG 3.45Å; F535-Q586 HydrophobicContact CD2-CB 3.56Å; F535-Q586 HydrophobicContact CE2-CB 3.55Å; F535-Q586 HydrophobicContact CG-CB 4.08Å; F535-Q586 HydrophobicContact CZ-CB 4.05Å; A582-Q586 VanDerWaalsContact O-CB 3.32Å; A582-Q586 WeakPolarHBondContact O-CB 3.41Å; A582-Q586 WeakPolarHBondContact O-CG 3.35Å; A582-Q586 PolarHBondContact O-N 3.09Å; I583-Q586 PolarHBondContact O-N 3.08Å; Q586-F589 PolarHBondContact O-N 3.35Å; Q586-V590 WeakPolarHBondContact O-CG2 3.44Å; Q586-V590 PolarHBondContact O-N 3.36Å; Q586-V590 VanDerWaalsContact O-N 3.07Å; Q586-L608 HydrophobicContact CG-CD1 4.41Å; Q586-L608 HydrophobicContact CG-CD2 3.68Å |
| 587 | F | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 178.4 | 173.3 | -101.4 | 0 | 0 | 0 | 111.5 | F535 M538 F542 L554 F555 A558 I583 F589 V590 A591 | F535-F587 HydrophobicContact CD2-CB 4.3Å; M538-F587 HydrophobicContact CB-CD2 3.67Å; M538-F587 HydrophobicContact CB-CE2 4.05Å; M538-F587 HydrophobicContact CB-CG 4.38Å; M538-F587 HydrophobicContact CE-CB 4.18Å; M538-F587 HydrophobicContact CE-CD1 3.79Å; M538-F587 HydrophobicContact CE-CD2 4.02Å; M538-F587 HydrophobicContact CE-CE1 4.25Å; M538-F587 HydrophobicContact CE-CE2 4.45Å; M538-F587 HydrophobicContact CE-CG 3.69Å; F542-F587 HydrophobicContact CB-CE2 4.14Å; L554-F587 HydrophobicContact CB-CE1 4.04Å; L554-F587 HydrophobicContact CB-CE2 4.27Å; L554-F587 HydrophobicContact CB-CZ 3.49Å; L554-F587 VanDerWaalsContact CB-CZ 3.49Å; L554-F587 HydrophobicContact CD1-CE2 4.29Å; L554-F587 HydrophobicContact CD1-CZ 4.14Å; L554-F587 HydrophobicContact CD2-CE2 4.5Å; L554-F587 HydrophobicContact CD2-CZ 4.48Å; L554-F587 HydrophobicContact CG-CZ 4.26Å; F555-F587 HydrophobicContact CD1-CE1 4.35Å; F555-F587 HydrophobicContact CE1-CE1 4.48Å; A558-F587 HydrophobicContact CB-CD1 4.04Å; A558-F587 HydrophobicContact CB-CE1 4.44Å; I583-F587 VanDerWaalsContact O-CB 3.25Å; I583-F587 WeakPolarHBondContact O-CB 3.08Å; I583-F587 PolarHBondContact O-N 3.32Å; F587-F589 VanDerWaalsContact C-N 3.3Å; F587-F589 PolarHBondContact O-N 2.92Å; F587-V590 PolarHBondContact O-N 3.47Å; F587-A591 HydrophobicContact CE1-CB 4.27Å; F587-A591 HydrophobicContact CE2-CB 4.45Å; F587-A591 HydrophobicContact CZ-CB 4.07Å; F587-A591 WeakPolarHBondContact O-CB 3.45Å; F587-A591 PolarHBondContact O-N 2.78Å |
| 588 | V | 94.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 178.4 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | F555 V584 A592 L600 L662 | F555-V588 HydrophobicContact CE1-CG2 4.42Å; V584-V588 HydrophobicContact CG1-CG2 4.3Å; V584-V588 VanDerWaalsContact O-CB 3.24Å; V584-V588 WeakPolarHBondContact O-CB 3.43Å; V584-V588 WeakPolarHBondContact O-CG2 3.48Å; V584-V588 PolarHBondContact O-N 2.84Å; V588-A592 WeakPolarHBondContact O-CB 3.18Å; V588-A592 PolarHBondContact O-N 3.05Å; V588-L600 HydrophobicContact CG1-CD1 3.61Å; V588-L600 HydrophobicContact CG1-CD2 3.81Å; V588-L600 HydrophobicContact CG1-CG 3.5Å; V588-L662 HydrophobicContact CG1-CD1 4.14Å; V588-L662 HydrophobicContact CG2-CD1 4.11Å; V588-L662 HydrophobicContact CG2-CD2 4.05Å |
| 589 | F | 94.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.9 | 177.7 | -89.2 | 0 | 0 | 0 | 112 | F485 F488 A585 Q586 F587 S593 T601 S604 L605 L608 | F485-F589 HydrophobicContact CB-CD1 4.33Å; F485-F589 HydrophobicContact CB-CE1 3.99Å; F485-F589 HydrophobicContact CB-CZ 4.24Å; F485-F589 AromaticContact CD1-CD1 3.54Å; F485-F589 HydrophobicContact CD1-CD1 3.54Å; F485-F589 AromaticContact CD1-CE1 3.86Å; F485-F589 HydrophobicContact CD1-CE1 3.86Å; F485-F589 HydrophobicContact CD1-CG 4.28Å; F485-F589 HydrophobicContact CE1-CD1 4.36Å; F485-F589 HydrophobicContact CG-CD1 4.38Å; F485-F589 HydrophobicContact CG-CE1 4.44Å; F485-F589 WeakPolarHBondContact O-CE1 3.24Å; F485-F589 WeakPolarHBondContact O-CZ 3.31Å; F488-F589 HydrophobicContact CB-CE1 3.68Å; F488-F589 HydrophobicContact CB-CZ 4.15Å; F488-F589 AromaticContact CD1-CE1 3.74Å; F488-F589 HydrophobicContact CD1-CE1 3.74Å; F488-F589 HydrophobicContact CD1-CZ 4.43Å; F488-F589 AromaticContact CG-CE1 3.76Å; F488-F589 HydrophobicContact CG-CE1 3.76Å; A585-F589 VanDerWaalsContact O-CB 3.28Å; A585-F589 WeakPolarHBondContact O-CB 3.47Å; A585-F589 PolarHBondContact O-N 2.94Å; Q586-F589 PolarHBondContact O-N 3.35Å; F587-F589 VanDerWaalsContact C-N 3.3Å; F587-F589 PolarHBondContact O-N 2.92Å; F589-S593 VanDerWaalsContact O-CB 3.27Å; F589-S593 WeakPolarHBondContact O-CB 3.49Å; F589-S593 PolarHBondContact O-N 2.84Å; F589-S593 PolarHBondContact O-OG 3.26Å; F589-T601 HydrophobicContact CD2-CG2 3.81Å; F589-T601 WeakPolarHBondContact CD2-O 3.39Å; F589-T601 HydrophobicContact CE2-CG2 3.46Å; F589-T601 VanDerWaalsContact CE2-CG2 3.46Å; F589-T601 HydrophobicContact CZ-CG2 4.12Å; F589-S604 VanDerWaalsContact CA-OG 3.23Å; F589-S604 WeakPolarHBondContact CA-OG 3.41Å; F589-S604 WeakPolarHBondContact CB-OG 3.45Å; F589-L605 HydrophobicContact CD2-CB 3.96Å; F589-L605 HydrophobicContact CD2-CD1 4.46Å; F589-L605 HydrophobicContact CE2-CB 3.84Å; F589-L605 HydrophobicContact CE2-CD1 3.99Å; F589-L605 HydrophobicContact CE2-CD2 4.4Å; F589-L605 HydrophobicContact CE2-CG 4.3Å; F589-L608 HydrophobicContact CB-CD1 4.5Å |
| 590 | V | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -51.7 | 180 | 172 | 0 | 0 | 0 | 0 | 110.3 | L479 F485 F488 F535 A539 Q586 F587 A592 S593 F594 | L479-V590 HydrophobicContact CD1-CG2 4.1Å; F485-V590 HydrophobicContact CE1-CG2 4.3Å; F488-V590 HydrophobicContact CE2-CG2 4.18Å; F488-V590 HydrophobicContact CZ-CB 4.48Å; F488-V590 HydrophobicContact CZ-CG1 4.05Å; F488-V590 HydrophobicContact CZ-CG2 4.24Å; F535-V590 HydrophobicContact CE2-CG2 4.08Å; F535-V590 HydrophobicContact CZ-CG2 4.05Å; A539-V590 HydrophobicContact CB-CG1 4.45Å; Q586-V590 WeakPolarHBondContact O-CG2 3.44Å; Q586-V590 PolarHBondContact O-N 3.36Å; Q586-V590 VanDerWaalsContact O-N 3.07Å; F587-V590 PolarHBondContact O-N 3.47Å; V590-A592 PolarHBondContact O-N 3.43Å; V590-S593 WeakPolarHBondContact O-CB 3.03Å; V590-S593 PolarHBondContact O-N 3.35Å; V590-F594 HydrophobicContact CG1-CD2 3.96Å; V590-F594 HydrophobicContact CG1-CE2 3.9Å; V590-F594 VanDerWaalsContact O-CD2 3.29Å; V590-F594 WeakPolarHBondContact O-CD2 3.44Å; V590-F594 PolarHBondContact O-N 2.91Å; V590-F594 VanDerWaalsContact O-N 3.09Å |
| 591 | A | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F542 F555 F587 S593 F594 L595 | F542-A591 HydrophobicContact CD2-CB 4.21Å; F542-A591 HydrophobicContact CE2-CB 4Å; F542-A591 HydrophobicContact CZ-CB 4.3Å; F555-A591 HydrophobicContact CE1-CB 4.3Å; F555-A591 HydrophobicContact CE2-CB 4.49Å; F555-A591 HydrophobicContact CZ-CB 3.8Å; F587-A591 HydrophobicContact CE1-CB 4.27Å; F587-A591 HydrophobicContact CE2-CB 4.45Å; F587-A591 HydrophobicContact CZ-CB 4.07Å; F587-A591 WeakPolarHBondContact O-CB 3.45Å; F587-A591 PolarHBondContact O-N 2.78Å; A591-S593 VanDerWaalsContact C-N 3.29Å; A591-S593 PolarHBondContact O-N 2.81Å; A591-F594 PolarHBondContact O-N 3.14Å; A591-L595 VanDerWaalsContact O-CB 3.28Å; A591-L595 WeakPolarHBondContact O-CB 3.24Å; A591-L595 WeakPolarHBondContact O-CG 3.46Å; A591-L595 PolarHBondContact O-N 3.26Å |
| 592 | A | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V588 V590 L595 S596 I597 L600 T601 | V588-A592 WeakPolarHBondContact O-CB 3.18Å; V588-A592 PolarHBondContact O-N 3.05Å; V590-A592 PolarHBondContact O-N 3.43Å; A592-L595 CarbonylContact O-C 3.33Å; A592-L595 PolarHBondContact O-N 3.35Å; A592-S596 CarbonylContact O-C 3.59Å; A592-S596 WeakPolarHBondContact O-CA 3.29Å; A592-S596 PolarHBondContact O-N 2.85Å; A592-I597 HydrophobicContact CB-CB 4.3Å; A592-I597 PolarHBondContact O-N 3.5Å; A592-L600 HydrophobicContact CB-CB 3.91Å; A592-L600 HydrophobicContact CB-CD2 3.89Å; A592-L600 HydrophobicContact CB-CG 3.87Å; A592-T601 WeakPolarHBondContact CB-OG1 3.39Å |
| 593 | S | 93.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 30 Ų | 30 | 12% | 0.119 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.5 | -45 | 178 | -61.8 | 0 | 0 | 0 | 0 | 112 | F589 V590 A591 S596 T601 | F589-S593 VanDerWaalsContact O-CB 3.27Å; F589-S593 WeakPolarHBondContact O-CB 3.49Å; F589-S593 PolarHBondContact O-N 2.84Å; F589-S593 PolarHBondContact O-OG 3.26Å; V590-S593 WeakPolarHBondContact O-CB 3.03Å; V590-S593 PolarHBondContact O-N 3.35Å; A591-S593 VanDerWaalsContact C-N 3.29Å; A591-S593 PolarHBondContact O-N 2.81Å; S593-S596 PolarHBondContact O-N 3.3Å; S593-S596 VanDerWaalsContact O-N 3.08Å; S593-T601 PolarHBondContact N-OG1 3.46Å; S593-T601 VanDerWaalsContact OG-CG2 3.31Å; S593-T601 WeakPolarHBondContact OG-CG2 3.41Å |
| 594 | F | 92.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 30 Ų | 30 | 19% | 0.193 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 173.4 | -82.4 | -76 | 0 | 0 | 0 | 112.7 | F488 P490 F493 V495 F542 L543 V590 A591 S596 | F488-F594 HydrophobicContact CE1-CE2 4.31Å; F488-F594 HydrophobicContact CZ-CD2 4.32Å; F488-F594 AromaticContact CZ-CE2 3.65Å; F488-F594 HydrophobicContact CZ-CE2 3.65Å; F488-F594 HydrophobicContact CZ-CZ 4.28Å; P490-F594 HydrophobicContact CB-CD1 4.01Å; P490-F594 HydrophobicContact CB-CE1 3.82Å; P490-F594 HydrophobicContact CB-CZ 4.17Å; F493-F594 HydrophobicContact CB-CE1 4.02Å; F493-F594 HydrophobicContact CB-CZ 3.59Å; F493-F594 HydrophobicContact CD1-CZ 4.44Å; F493-F594 HydrophobicContact CD2-CE2 4.42Å; F493-F594 AromaticContact CD2-CZ 3.69Å; F493-F594 HydrophobicContact CD2-CZ 3.69Å; F493-F594 HydrophobicContact CE2-CZ 4.49Å; F493-F594 AromaticContact CG-CZ 3.65Å; F493-F594 HydrophobicContact CG-CZ 3.65Å; V495-F594 HydrophobicContact CG2-CD1 4.49Å; V495-F594 HydrophobicContact CG2-CE1 4.05Å; F542-F594 HydrophobicContact CD1-CD2 4.44Å; F542-F594 HydrophobicContact CE1-CB 3.52Å; F542-F594 AromaticContact CE1-CD2 3.84Å; F542-F594 HydrophobicContact CE1-CD2 3.84Å; F542-F594 AromaticContact CE1-CG 3.81Å; F542-F594 HydrophobicContact CE1-CG 3.81Å; F542-F594 HydrophobicContact CZ-CB 3.8Å; L543-F594 HydrophobicContact CD2-CD1 4.25Å; L543-F594 HydrophobicContact CD2-CD2 3.86Å; L543-F594 HydrophobicContact CD2-CE1 3.85Å; L543-F594 HydrophobicContact CD2-CE2 3.41Å; L543-F594 VanDerWaalsContact CD2-CE2 3.41Å; L543-F594 HydrophobicContact CD2-CG 4.26Å; L543-F594 HydrophobicContact CD2-CZ 3.42Å; L543-F594 VanDerWaalsContact CD2-CZ 3.42Å; V590-F594 HydrophobicContact CG1-CD2 3.96Å; V590-F594 HydrophobicContact CG1-CE2 3.9Å; V590-F594 VanDerWaalsContact O-CD2 3.29Å; V590-F594 WeakPolarHBondContact O-CD2 3.44Å; V590-F594 PolarHBondContact O-N 2.91Å; V590-F594 VanDerWaalsContact O-N 3.09Å; A591-F594 PolarHBondContact O-N 3.14Å; F594-S596 PolarHBondContact O-N 2.91Å |
| 595 | L | 92 | Very high | 92.2 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 1.7 | 173.1 | -63.5 | 178 | 0 | 0 | 0 | 111.8 | F542 I551 F555 A591 A592 I597 L671 R674 Y676 | F542-L595 HydrophobicContact CE2-CD1 4.44Å; F542-L595 HydrophobicContact CE2-CG 4.34Å; F542-L595 HydrophobicContact CZ-CD2 4.34Å; F542-L595 HydrophobicContact CZ-CG 4.1Å; I551-L595 HydrophobicContact CG2-CD1 4.2Å; F555-L595 HydrophobicContact CE2-CD1 3.77Å; F555-L595 HydrophobicContact CZ-CD1 4.04Å; A591-L595 VanDerWaalsContact O-CB 3.28Å; A591-L595 WeakPolarHBondContact O-CB 3.24Å; A591-L595 WeakPolarHBondContact O-CG 3.46Å; A591-L595 PolarHBondContact O-N 3.26Å; A592-L595 CarbonylContact O-C 3.33Å; A592-L595 PolarHBondContact O-N 3.35Å; L595-I597 VanDerWaalsContact C-N 3.33Å; L595-I597 HydrophobicContact CB-CD1 3.9Å; L595-I597 HydrophobicContact CB-CG1 3.98Å; L595-I597 HydrophobicContact CD1-CD1 4.25Å; L595-I597 PolarHBondContact O-N 3.29Å; L595-L671 HydrophobicContact CD1-CD2 3.9Å; L595-R674 PolarHBondContact O-NE 3.17Å; L595-R674 PolarHBondContact O-NH1 2.87Å; L595-R674 PolarHBondContact O-NH2 2.72Å; L595-Y676 HydrophobicContact CD2-CE2 4.45Å; L595-Y676 VanDerWaalsContact CD2-OH 3.3Å; L595-Y676 WeakPolarHBondContact CD2-OH 3.31Å |
| 596 | S | 91 | Very high | 92.1 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 52% | 0.524 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 44.7 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 114.2 | A592 S593 F594 P598 R674 | A592-S596 CarbonylContact O-C 3.59Å; A592-S596 WeakPolarHBondContact O-CA 3.29Å; A592-S596 PolarHBondContact O-N 2.85Å; S593-S596 PolarHBondContact O-N 3.3Å; S593-S596 VanDerWaalsContact O-N 3.08Å; F594-S596 PolarHBondContact O-N 2.91Å; S596-P598 VanDerWaalsContact O-CD 3.28Å; S596-P598 WeakPolarHBondContact O-CD 3.5Å; S596-R674 VanDerWaalsContact C-NH2 3.34Å; S596-R674 PolarHBondContact O-NH2 3.25Å |
| 597 | I | 92.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | trans | -102.4 | 91.9 | 177.6 | -55.5 | 172.5 | 0 | 0 | 0 | 108.8 | A592 L595 S599 L600 T601 L671 | A592-I597 HydrophobicContact CB-CB 4.3Å; A592-I597 PolarHBondContact O-N 3.5Å; L595-I597 VanDerWaalsContact C-N 3.33Å; L595-I597 HydrophobicContact CB-CD1 3.9Å; L595-I597 HydrophobicContact CB-CG1 3.98Å; L595-I597 HydrophobicContact CD1-CD1 4.25Å; L595-I597 PolarHBondContact O-N 3.29Å; I597-S599 PolarHBondContact O-N 3Å; I597-L600 HydrophobicContact CB-CB 4.24Å; I597-L600 HydrophobicContact CG2-CB 3.62Å; I597-L600 PolarHBondContact O-N 3.36Å; I597-T601 PolarHBondContact O-N 3.35Å; I597-T601 PolarHBondContact O-OG1 3.46Å; I597-T601 VanDerWaalsContact O-OG1 3.09Å; I597-L671 HydrophobicContact CD1-CD2 4.16Å | ||
| 598 | P | 88.5 | Confident | 91.2 | Very high | 102 Ų | 102 | 36.2 Ų | 36.2 | 66% | 0.662 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -70.4 | -31.8 | -166.3 | -19.3 | 34.5 | 0 | 0 | 0 | 113.8 | S596 K602 | S596-P598 VanDerWaalsContact O-CD 3.28Å; S596-P598 WeakPolarHBondContact O-CD 3.5Å; P598-K602 VanDerWaalsContact O-CB 3.28Å; P598-K602 WeakPolarHBondContact O-CB 3.3Å; P598-K602 PolarHBondContact O-N 3.45Å |
| 599 | S | 89.4 | Confident | 90.9 | Very high | 57 Ų | 57 | 39 Ų | 39 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -51 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | I597 K602 H603 E666 | I597-S599 PolarHBondContact O-N 3Å; S599-K602 PolarHBondContact O-N 2.91Å; S599-H603 VanDerWaalsContact O-CB 3.31Å; S599-H603 WeakPolarHBondContact O-CB 3.39Å; S599-H603 PolarHBondContact O-N 2.98Å; S599-E666 PolarHBondContact OG-OE1 2.88Å |
| 600 | L | 89.3 | Confident | 90.2 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.4 | -39.1 | -178.7 | -169.1 | 61.3 | 0 | 0 | 0 | 112.2 | V588 A592 I597 H603 S604 L662 L667 | V588-L600 HydrophobicContact CG1-CD1 3.61Å; V588-L600 HydrophobicContact CG1-CD2 3.81Å; V588-L600 HydrophobicContact CG1-CG 3.5Å; A592-L600 HydrophobicContact CB-CB 3.91Å; A592-L600 HydrophobicContact CB-CD2 3.89Å; A592-L600 HydrophobicContact CB-CG 3.87Å; I597-L600 HydrophobicContact CB-CB 4.24Å; I597-L600 HydrophobicContact CG2-CB 3.62Å; I597-L600 PolarHBondContact O-N 3.36Å; L600-H603 PolarHBondContact O-N 3.44Å; L600-S604 WeakPolarHBondContact O-CB 3.33Å; L600-S604 PolarHBondContact O-N 2.91Å; L600-S604 PolarHBondContact O-OG 3.11Å; L600-L662 HydrophobicContact CD1-CD1 3.73Å; L600-L667 HydrophobicContact CD2-CD1 3.77Å |
| 601 | T | 91.4 | Very high | 89.3 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | F589 A592 S593 I597 S604 L605 | F589-T601 HydrophobicContact CD2-CG2 3.81Å; F589-T601 WeakPolarHBondContact CD2-O 3.39Å; F589-T601 HydrophobicContact CE2-CG2 3.46Å; F589-T601 VanDerWaalsContact CE2-CG2 3.46Å; F589-T601 HydrophobicContact CZ-CG2 4.12Å; A592-T601 WeakPolarHBondContact CB-OG1 3.39Å; S593-T601 PolarHBondContact N-OG1 3.46Å; S593-T601 VanDerWaalsContact OG-CG2 3.31Å; S593-T601 WeakPolarHBondContact OG-CG2 3.41Å; I597-T601 PolarHBondContact O-N 3.35Å; I597-T601 PolarHBondContact O-OG1 3.46Å; I597-T601 VanDerWaalsContact O-OG1 3.09Å; T601-S604 WeakPolarHBondContact CA-OG 3.49Å; T601-S604 PolarHBondContact O-OG 2.92Å; T601-L605 WeakPolarHBondContact O-CB 3.15Å; T601-L605 PolarHBondContact O-N 3.4Å |
| 602 | K | 90.7 | Very high | 88.2 | Confident | 166 Ų | 166 | 48.7 Ų | 48.7 | 72% | 0.722 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 178.7 | -175 | -179.9 | 178.8 | -176.6 | 0 | 111.7 | P598 S599 L605 H606 | P598-K602 VanDerWaalsContact O-CB 3.28Å; P598-K602 WeakPolarHBondContact O-CB 3.3Å; P598-K602 PolarHBondContact O-N 3.45Å; S599-K602 PolarHBondContact O-N 2.91Å; K602-L605 PolarHBondContact O-N 3.04Å; K602-H606 PolarHBondContact O-N 3.38Å |
| 603 | H | 90.1 | Very high | 86.8 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 179 | -177.7 | 61.6 | 0 | 0 | 0 | 112.2 | S599 L600 L605 H606 L607 W661 | S599-H603 VanDerWaalsContact O-CB 3.31Å; S599-H603 WeakPolarHBondContact O-CB 3.39Å; S599-H603 PolarHBondContact O-N 2.98Å; L600-H603 PolarHBondContact O-N 3.44Å; H603-L605 VanDerWaalsContact C-N 3.33Å; H603-L605 PolarHBondContact O-N 2.93Å; H603-H606 WeakPolarHBondContact O-CB 3.45Å; H603-H606 PolarHBondContact O-N 3.49Å; H603-L607 WeakPolarHBondContact O-CG 3.38Å; H603-L607 PolarHBondContact O-N 2.74Å; H603-W661 PolarHBondContact CD2-O 3.17Å; H603-W661 VanDerWaalsContact CD2-O 3.29Å; H603-W661 PolarHBondContact NE2-O 3.36Å |
| 604 | S | 89.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 176.4 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | F589 L600 T601 L607 L608 | F589-S604 VanDerWaalsContact CA-OG 3.23Å; F589-S604 WeakPolarHBondContact CA-OG 3.41Å; F589-S604 WeakPolarHBondContact CB-OG 3.45Å; L600-S604 WeakPolarHBondContact O-CB 3.33Å; L600-S604 PolarHBondContact O-N 2.91Å; L600-S604 PolarHBondContact O-OG 3.11Å; T601-S604 WeakPolarHBondContact CA-OG 3.49Å; T601-S604 PolarHBondContact O-OG 2.92Å; S604-L607 PolarHBondContact O-N 2.95Å; S604-L608 WeakPolarHBondContact O-CG 3.42Å; S604-L608 PolarHBondContact O-N 3.31Å; S604-L608 VanDerWaalsContact O-N 3.1Å |
| 605 | L | 90.3 | Very high | 83 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.4 | -173.5 | 62.4 | 0 | 0 | 0 | 112.1 | F485 E486 F589 T601 K602 H603 L607 L608 Q609 | F485-L605 HydrophobicContact CB-CD1 4.15Å; E486-L605 HydrophobicContact CG-CD1 4.02Å; E486-L605 HydrophobicContact CG-CD2 4.36Å; F589-L605 HydrophobicContact CD2-CB 3.96Å; F589-L605 HydrophobicContact CD2-CD1 4.46Å; F589-L605 HydrophobicContact CE2-CB 3.84Å; F589-L605 HydrophobicContact CE2-CD1 3.99Å; F589-L605 HydrophobicContact CE2-CD2 4.4Å; F589-L605 HydrophobicContact CE2-CG 4.3Å; T601-L605 WeakPolarHBondContact O-CB 3.15Å; T601-L605 PolarHBondContact O-N 3.4Å; K602-L605 PolarHBondContact O-N 3.04Å; H603-L605 VanDerWaalsContact C-N 3.33Å; H603-L605 PolarHBondContact O-N 2.93Å; L605-L607 VanDerWaalsContact C-N 3.32Å; L605-L607 PolarHBondContact O-N 3.15Å; L605-L608 WeakPolarHBondContact O-CB 3.19Å; L605-L608 PolarHBondContact O-N 3.08Å; L605-L608 VanDerWaalsContact O-N 3.17Å; L605-Q609 WeakPolarHBondContact O-CG 3.31Å; L605-Q609 PolarHBondContact O-N 3.3Å |
| 606 | H | 89.1 | Confident | 80.8 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.3 | -177.8 | -85.3 | 0 | 0 | 0 | 111.6 | K602 H603 L608 Q609 E610 | K602-H606 PolarHBondContact O-N 3.38Å; H603-H606 WeakPolarHBondContact O-CB 3.45Å; H603-H606 PolarHBondContact O-N 3.49Å; H606-L608 VanDerWaalsContact C-N 3.3Å; H606-L608 PolarHBondContact O-N 2.96Å; H606-Q609 PolarHBondContact O-N 3.24Å; H606-E610 WeakPolarHBondContact O-CB 3.43Å; H606-E610 PolarHBondContact O-N 3.07Å |
| 607 | L | 86.8 | Confident | 78.1 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -36 | 175.5 | -67.9 | 171.6 | 0 | 0 | 0 | 112.8 | A585 H603 S604 L605 S611 W661 | A585-L607 HydrophobicContact CB-CB 4.26Å; H603-L607 WeakPolarHBondContact O-CG 3.38Å; H603-L607 PolarHBondContact O-N 2.74Å; S604-L607 PolarHBondContact O-N 2.95Å; L605-L607 VanDerWaalsContact C-N 3.32Å; L605-L607 PolarHBondContact O-N 3.15Å; L607-S611 WeakPolarHBondContact O-CB 3.32Å; L607-S611 PolarHBondContact O-N 2.71Å; L607-S611 VanDerWaalsContact O-N 3.1Å; L607-S611 PolarHBondContact O-OG 2.92Å; L607-W661 HydrophobicContact CD1-CB 3.69Å; L607-W661 HydrophobicContact CD2-CB 4.06Å; L607-W661 HydrophobicContact CD2-CG 4.32Å |
| 608 | L | 86.7 | Confident | 75.7 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 175.3 | -66.6 | 172.9 | 0 | 0 | 0 | 111.6 | V482 F485 A585 Q586 F589 S604 L605 H606 S611 R612 | V482-L608 HydrophobicContact CG2-CB 4.42Å; V482-L608 WeakPolarHBondContact CG2-O 3.46Å; F485-L608 HydrophobicContact CB-CD1 4.29Å; F485-L608 HydrophobicContact CD1-CD1 4.18Å; F485-L608 HydrophobicContact CD2-CD1 4.01Å; F485-L608 HydrophobicContact CE2-CD1 4.45Å; F485-L608 HydrophobicContact CG-CD1 3.89Å; A585-L608 HydrophobicContact CB-CD2 3.67Å; A585-L608 HydrophobicContact CB-CG 4.01Å; Q586-L608 HydrophobicContact CG-CD1 4.41Å; Q586-L608 HydrophobicContact CG-CD2 3.68Å; F589-L608 HydrophobicContact CB-CD1 4.5Å; S604-L608 WeakPolarHBondContact O-CG 3.42Å; S604-L608 PolarHBondContact O-N 3.31Å; S604-L608 VanDerWaalsContact O-N 3.1Å; L605-L608 WeakPolarHBondContact O-CB 3.19Å; L605-L608 PolarHBondContact O-N 3.08Å; L605-L608 VanDerWaalsContact O-N 3.17Å; H606-L608 VanDerWaalsContact C-N 3.3Å; H606-L608 PolarHBondContact O-N 2.96Å; L608-S611 PolarHBondContact O-N 3.04Å; L608-R612 PolarHBondContact O-N 3.22Å |
| 609 | Q | 86.8 | Confident | 73.2 | Confident | 63 Ų | 63 | 69.2 Ų | 69.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 174.8 | -72.3 | 170.7 | -19.9 | 0 | 0 | 111.9 | V482 E486 L605 H606 S611 R612 D613 | V482-Q609 HydrophobicContact CG1-CG 3.62Å; E486-Q609 PolarHBondContact OE1-NE2 3.14Å; L605-Q609 WeakPolarHBondContact O-CG 3.31Å; L605-Q609 PolarHBondContact O-N 3.3Å; H606-Q609 PolarHBondContact O-N 3.24Å; Q609-S611 VanDerWaalsContact C-N 3.26Å; Q609-S611 PolarHBondContact O-N 2.95Å; Q609-R612 WeakPolarHBondContact O-CA 3.35Å; Q609-R612 VanDerWaalsContact O-CB 3.26Å; Q609-R612 WeakPolarHBondContact O-CB 3.48Å; Q609-R612 PolarHBondContact O-N 3.44Å; Q609-D613 PolarHBondContact O-N 3.44Å |
| 610 | E | 81.5 | Confident | 70.4 | Confident | 54 Ų | 54 | 73 Ų | 73 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 176.8 | -168.6 | -163.6 | 145.5 | 0 | 0 | 111.8 | H606 R612 D613 N614 | H606-E610 WeakPolarHBondContact O-CB 3.43Å; H606-E610 PolarHBondContact O-N 3.07Å; E610-R612 PolarHBondContact O-N 2.87Å; E610-D613 PolarHBondContact O-N 2.94Å; E610-N614 PolarHBondContact O-N 3.47Å; E610-N614 VanDerWaalsContact O-N 3.08Å; E610-N614 PolarHBondContact O-ND2 3.19Å |
| 611 | S | 75.6 | Confident | 67.6 | Low | 24 Ų | 24 | 78.4 Ų | 78.4 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.5 | -27.8 | 175 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | L607 L608 Q609 L616 | L607-S611 WeakPolarHBondContact O-CB 3.32Å; L607-S611 PolarHBondContact O-N 2.71Å; L607-S611 VanDerWaalsContact O-N 3.1Å; L607-S611 PolarHBondContact O-OG 2.92Å; L608-S611 PolarHBondContact O-N 3.04Å; Q609-S611 VanDerWaalsContact C-N 3.26Å; Q609-S611 PolarHBondContact O-N 2.95Å; S611-L616 WeakPolarHBondContact O-CB 3.43Å |
| 612 | R | 70.2 | Confident | 64.3 | Low | 136 Ų | 136 | 84.5 Ų | 84.5 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -75.2 | -44.4 | 172 | 178.3 | -166.6 | -177.8 | 168.5 | 7.2 | 111.4 | V482 E483 L608 Q609 E610 | V482-R612 HydrophobicContact CG2-CB 4.15Å; E483-R612 IonicContact OE1-NH2 3.55Å; L608-R612 PolarHBondContact O-N 3.22Å; Q609-R612 WeakPolarHBondContact O-CA 3.35Å; Q609-R612 VanDerWaalsContact O-CB 3.26Å; Q609-R612 WeakPolarHBondContact O-CB 3.48Å; Q609-R612 PolarHBondContact O-N 3.44Å; E610-R612 PolarHBondContact O-N 2.87Å |
| 613 | D | 65.1 | Low | 61.2 | Low | 126 Ų | 126 | 85.8 Ų | 85.8 | 67% | 0.674 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -72.8 | -28.4 | -172.3 | -68 | -17.8 | 0 | 0 | 0 | 113.3 | Q609 E610 G615 | Q609-D613 PolarHBondContact O-N 3.44Å; E610-D613 PolarHBondContact O-N 2.94Å; D613-G615 PolarHBondContact O-N 2.84Å |
| 614 | N | 60.1 | Low | 57.9 | Low | 96 Ų | 96 | 87 Ų | 87 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 21.9 | 179.1 | -75.2 | -23 | 0 | 0 | 0 | 114.8 | E610 L616 | E610-N614 PolarHBondContact O-N 3.47Å; E610-N614 VanDerWaalsContact O-N 3.08Å; E610-N614 PolarHBondContact O-ND2 3.19Å; N614-L616 PolarHBondContact O-N 2.93Å |
| 615 | G | 46.1 | Very low | 54.8 | Low | 48 Ų | 48 | 94.1 Ų | 94.1 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 14.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D613 H617 | D613-G615 PolarHBondContact O-N 2.84Å; G615-H617 PolarHBondContact O-N 3.35Å |
| 616 | L | 45.7 | Very low | 51.6 | Low | 63 Ų | 63 | 99 Ų | 99 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | trans | -74.2 | 70.5 | 164.5 | -81.6 | 111.3 | 0 | 0 | 0 | 109.6 | V578 S611 N614 P618 L653 | V578-L616 HydrophobicContact CB-CD2 4.04Å; V578-L616 HydrophobicContact CG1-CD1 4Å; V578-L616 HydrophobicContact CG1-CD2 3.25Å; V578-L616 HydrophobicContact CG1-CG 4.25Å; V578-L616 HydrophobicContact CG2-CD1 4.5Å; V578-L616 HydrophobicContact CG2-CD2 4.25Å; S611-L616 WeakPolarHBondContact O-CB 3.43Å; N614-L616 PolarHBondContact O-N 2.93Å; L616-P618 WeakPolarHBondContact O-CD 3.48Å; L616-P618 VanDerWaalsContact O-N 3.15Å; L616-L653 HydrophobicContact CD1-CD2 4.25Å | ||
| 617 | H | 35.3 | Very low | 48.5 | Very low | 132 Ų | 132 | 99.4 Ų | 99.4 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | trans | -59.8 | 113.9 | 168.9 | -81.6 | -80.6 | 0 | 0 | 0 | 108.5 | G615 E619 D620 | G615-H617 PolarHBondContact O-N 3.35Å; H617-E619 PolarHBondContact O-N 3.35Å; H617-E619 VanDerWaalsContact O-N 3.17Å; H617-D620 IonicContact CG-OD2 3.56Å | ||
| 618 | P | 42.7 | Very low | 45.4 | Very low | 84 Ų | 84 | 104.2 Ų | 104.2 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | 6.1 | 175.3 | -5.6 | 24.4 | 0 | 0 | 0 | 112.4 | R528 L616 | R528-P618 PolarHBondContact NH1-O 2.85Å; L616-P618 WeakPolarHBondContact O-CD 3.48Å; L616-P618 VanDerWaalsContact O-N 3.15Å |
| 619 | E | 35.3 | Very low | 42.3 | Very low | 142 Ų | 142 | 109.3 Ų | 109.3 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -3.3 | -170.1 | -63.9 | -166.2 | 169.5 | 0 | 0 | 115.2 | H617 V621 H622 | H617-E619 PolarHBondContact O-N 3.35Å; H617-E619 VanDerWaalsContact O-N 3.17Å; E619-V621 PolarHBondContact O-N 2.8Å; E619-H622 PolarHBondContact O-N 3.02Å |
| 620 | D | 30.9 | Very low | 39.3 | Very low | 136 Ų | 136 | 113.1 Ų | 113.1 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -75.8 | 15.7 | 177.2 | -77.6 | -27.7 | 0 | 0 | 0 | 114.3 | H617 | H617-D620 IonicContact CG-OD2 3.56Š|
| 621 | V | 29.6 | Very low | 36.7 | Very low | 119 Ų | 119 | 118.1 Ų | 118.1 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -126.7 | 61.1 | 162.2 | -167.9 | 0 | 0 | 0 | 0 | 108.2 | E619 Y623 | E619-V621 PolarHBondContact O-N 2.8Å; V621-Y623 VanDerWaalsContact C-N 3.26Å; V621-Y623 HydrophobicContact CG1-CD2 3.81Å; V621-Y623 HydrophobicContact CG1-CE2 4.02Å; V621-Y623 PolarHBondContact O-N 3.34Å |
| 622 | H | 22.9 | Very low | 34.4 | Very low | 153 Ų | 153 | 122 Ų | 122 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 76.9 | 173.5 | -150.8 | 70.4 | 0 | 0 | 0 | 109.7 | E619 | E619-H622 PolarHBondContact O-N 3.02Š| ||
| 623 | Y | 25 | Very low | 32.3 | Very low | 194 Ų | 194 | 119.8 Ų | 119.8 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | trans | -83.5 | 110.1 | 152.8 | -74.8 | -78 | 0 | 0 | 0 | 107 | V621 L625 | V621-Y623 VanDerWaalsContact C-N 3.26Å; V621-Y623 HydrophobicContact CG1-CD2 3.81Å; V621-Y623 HydrophobicContact CG1-CE2 4.02Å; V621-Y623 PolarHBondContact O-N 3.34Å; Y623-L625 PolarHBondContact O-N 2.91Å | ||
| 624 | S | 21.8 | Very low | 30.4 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -42.4 | 101.9 | -179.3 | -159.3 | 0 | 0 | 0 | 0 | 111.6 | D626 | S624-D626 PolarHBondContact O-N 3.48Š| ||
| 625 | L | 24.2 | Very low | 28.7 | Very low | 152 Ų | 152 | 116.2 Ų | 116.2 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | trans | -79.1 | 99.8 | 159.2 | -101.5 | 88.8 | 0 | 0 | 0 | 106.6 | Y623 V627 | Y623-L625 PolarHBondContact O-N 2.91Å; L625-V627 HydrophobicContact CB-CG2 4.42Å; L625-V627 PolarHBondContact O-N 3.04Å | ||
| 626 | D | 22.1 | Very low | 27.7 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -63.6 | 92.6 | 159.2 | -83.7 | -23 | 0 | 0 | 0 | 107.5 | S624 T628 | S624-D626 PolarHBondContact O-N 3.48Å; D626-T628 PolarHBondContact O-N 3.33Å | ||
| 627 | V | 23.2 | Very low | 26.6 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | trans | -72 | 75.7 | 164.7 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | L625 T629 | L625-V627 HydrophobicContact CB-CG2 4.42Å; L625-V627 PolarHBondContact O-N 3.04Å; V627-T629 HydrophobicContact CG1-CG2 4.12Å; V627-T629 PolarHBondContact O-N 3.2Å; V627-T629 VanDerWaalsContact O-N 3.12Å | ||
| 628 | T | 22.4 | Very low | 26.2 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | trans | -75.8 | 96.5 | 163.1 | 47.6 | 0 | 0 | 0 | 0 | 107.2 | D626 D630 | D626-T628 PolarHBondContact O-N 3.33Å; T628-D630 PolarHBondContact O-N 2.84Å | ||
| 629 | T | 21.9 | Very low | 25.4 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -66.6 | 78.6 | 160.4 | 51.8 | 0 | 0 | 0 | 0 | 108.1 | V627 D631 | V627-T629 HydrophobicContact CG1-CG2 4.12Å; V627-T629 PolarHBondContact O-N 3.2Å; V627-T629 VanDerWaalsContact O-N 3.12Å; T629-D631 PolarHBondContact O-N 3.46Å | ||
| 630 | D | 24 | Very low | 25 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -88.5 | 102.2 | 160.1 | -106.1 | -7.8 | 0 | 0 | 0 | 107.5 | T628 A632 | T628-D630 PolarHBondContact O-N 2.84Å; D630-A632 PolarHBondContact O-N 3.27Å | ||
| 631 | D | 25.9 | Very low | 24.8 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.3 | 133.2 | 166.1 | -78.2 | -40.5 | 0 | 0 | 0 | 109.8 | T629 | T629-D631 PolarHBondContact O-N 3.46Š|
| 632 | A | 28.4 | Very low | 24.6 | Very low | 104 Ų | 104 | 127 Ų | 127 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.9 | 41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | D630 | D630-A632 PolarHBondContact O-N 3.27Š|
| 633 | S | 26.3 | Very low | 24.7 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | trans | -171.5 | 119.9 | 130.6 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | V635 | S633-V635 VanDerWaalsContact C-N 3.27Å; S633-V635 PolarHBondContact O-N 3.34Å | ||
| 634 | G | 23.9 | Very low | 24.7 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | trans | -69.8 | 82.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 635 | V | 25 | Very low | 24.9 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 52% | 0.521 | 72% | 0.722 | S | S | . | * | trans | -99.3 | 109.3 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | S633 L637 | S633-V635 VanDerWaalsContact C-N 3.27Å; S633-V635 PolarHBondContact O-N 3.34Å; V635-L637 HydrophobicContact CG1-CD2 4.41Å; V635-L637 HydrophobicContact CG1-CG 4.01Å | ||
| 636 | F | 26.2 | Very low | 24.9 | Very low | 180 Ų | 180 | 126.8 Ų | 126.8 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | trans | -94.2 | 101.5 | 168.1 | -69.7 | -85.2 | 0 | 0 | 0 | 107.2 | ||||
| 637 | L | 22.6 | Very low | 25.2 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -79.3 | 126.7 | 173.6 | -75.2 | 159.2 | 0 | 0 | 0 | 108.7 | V635 | V635-L637 HydrophobicContact CG1-CD2 4.41Å; V635-L637 HydrophobicContact CG1-CG 4.01Å | ||
| 638 | F | 26.2 | Very low | 25.5 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | -129.8 | 129.1 | 165.5 | -149.7 | -90 | 0 | 0 | 0 | 107.8 | ||||
| 639 | D | 24.8 | Very low | 25.7 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | trans | -88.1 | 125.6 | -179.2 | -131.3 | -10.6 | 0 | 0 | 0 | 109.5 | K366 E641 | K366-D639 IonicContact NZ-OD1 2.99Å; D639-E641 PolarHBondContact O-N 3.09Å | ||
| 640 | S | 28.4 | Very low | 26.1 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 47% | 0.469 | 75% | 0.745 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | 14.3 | -174.2 | -74.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 641 | E | 26 | Very low | 26.4 | Very low | 176 Ų | 176 | 125.8 Ų | 125.8 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 6.2 | -176.8 | -68.4 | -165.9 | 167.8 | 0 | 0 | 115.2 | D639 A643 | D639-E641 PolarHBondContact O-N 3.09Å; E641-A643 PolarHBondContact O-N 2.77Å |
| 642 | S | 26.4 | Very low | 26.6 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -84 | 57.8 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 643 | A | 25.1 | Very low | 26.9 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -141.6 | 44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E641 | E641-A643 PolarHBondContact O-N 2.77Š|
| 644 | D | 23.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -168 | 63.3 | 165.8 | -101.4 | -19 | 0 | 0 | 0 | 112.4 | ||||
| 645 | L | 25.8 | Very low | 28.4 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -147.8 | 77.6 | 161.4 | -73.4 | -179.5 | 0 | 0 | 0 | 110.5 | A647 | L645-A647 VanDerWaalsContact C-N 3.26Å; L645-A647 PolarHBondContact O-N 3.48Å; L645-A647 VanDerWaalsContact O-N 3.11Å | ||
| 646 | L | 25.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 97% | 0.974 | 73% | 0.725 | S | S | * | * | trans | -75.6 | 81.9 | 159 | -66.7 | 176.1 | 0 | 0 | 0 | 108.2 | ||||
| 647 | A | 27.4 | Very low | 30.7 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -95.4 | 95.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | L645 D649 | L645-A647 VanDerWaalsContact C-N 3.26Å; L645-A647 PolarHBondContact O-N 3.48Å; L645-A647 VanDerWaalsContact O-N 3.11Å; A647-D649 VanDerWaalsContact C-N 3.3Å; A647-D649 PolarHBondContact O-N 3.15Å; A647-D649 VanDerWaalsContact O-N 3.09Å | ||
| 648 | D | 29.7 | Very low | 32 | Very low | 160 Ų | 160 | 122 Ų | 122 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | -80.1 | 74.9 | 179 | -149.3 | 16.1 | 0 | 0 | 0 | 108.7 | ||||
| 649 | D | 26.9 | Very low | 33.6 | Very low | 160 Ų | 160 | 118 Ų | 118 | 86% | 0.856 | 70% | 0.7 | S | S | * | * | trans | -147.3 | 60.7 | 173.5 | -84.1 | -41.8 | 0 | 0 | 0 | 109.9 | A647 | A647-D649 VanDerWaalsContact C-N 3.3Å; A647-D649 PolarHBondContact O-N 3.15Å; A647-D649 VanDerWaalsContact O-N 3.09Å | ||
| 650 | A | 31.4 | Very low | 35.4 | Very low | 87 Ų | 87 | 115.8 Ų | 115.8 | 72% | 0.719 | 69% | 0.694 | S | S | * | * | trans | -99 | 124.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 651 | P | 29.1 | Very low | 37.5 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | trans | -65.3 | 144.1 | -176.8 | 26.4 | -32.2 | 0 | 0 | 0 | 110.9 | L653 | P651-L653 PolarHBondContact O-N 3.45Š| ||
| 652 | D | 30.7 | Very low | 40.1 | Very low | 168 Ų | 168 | 105.2 Ų | 105.2 | 90% | 0.898 | 64% | 0.637 | S | S | * | * | trans | -51.8 | 98 | 176.9 | -74 | -41.4 | 0 | 0 | 0 | 110.9 | ||||
| 653 | L | 35.2 | Very low | 42.7 | Very low | 75 Ų | 75 | 104 Ų | 104 | 39% | 0.393 | 62% | 0.622 | S | S | . | * | trans | -65.3 | 143.4 | 172.4 | -98.4 | 96.5 | 0 | 0 | 0 | 109.6 | T574 L616 P651 N655 | T574-L653 HydrophobicContact CG2-CB 4.42Å; L616-L653 HydrophobicContact CD1-CD2 4.25Å; P651-L653 PolarHBondContact O-N 3.45Å; L653-N655 PolarHBondContact O-N 3.44Å | ||
| 654 | P | 36.8 | Very low | 45.4 | Very low | 108 Ų | 108 | 101 Ų | 101 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -61.3 | 138.6 | -175.8 | 25.5 | -32.1 | 0 | 0 | 0 | 110.6 | L656 | P654-L656 PolarHBondContact O-N 2.8Š| ||
| 655 | N | 43.3 | Very low | 48.3 | Very low | 158 Ų | 158 | 98.7 Ų | 98.7 | 85% | 0.845 | 58% | 0.583 | S | S | * | * | trans | -28.5 | 107.1 | 176.3 | -81.6 | -31.3 | 0 | 0 | 0 | 111.5 | L653 D657 | L653-N655 PolarHBondContact O-N 3.44Å; N655-D657 PolarHBondContact O-N 3.04Å | ||
| 656 | L | 49.3 | Very low | 51.2 | Low | 57 Ų | 57 | 94 Ų | 94 | 30% | 0.298 | 56% | 0.557 | S | S | . | * | trans | -52.4 | 116.2 | 165.1 | -95.8 | 82.1 | 0 | 0 | 0 | 106.6 | V578 K581 P654 A658 W661 | V578-L656 HydrophobicContact CG2-CD1 4.25Å; K581-L656 HydrophobicContact CD-CD2 3.89Å; P654-L656 PolarHBondContact O-N 2.8Å; L656-A658 PolarHBondContact O-N 3.25Å; L656-A658 VanDerWaalsContact O-N 3.12Å; L656-W661 HydrophobicContact CD2-CH2 4.04Å; L656-W661 HydrophobicContact CD2-CZ2 3.91Å | ||
| 657 | D | 50.9 | Low | 54.1 | Low | 110 Ų | 110 | 85.2 Ų | 85.2 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | trans | -48.2 | 122.7 | -177.8 | -83.1 | -33.7 | 0 | 0 | 0 | 110.2 | N655 S659 W661 | N655-D657 PolarHBondContact O-N 3.04Å; D657-S659 PolarHBondContact O-N 3.41Å; D657-W661 PolarHBondContact O-NE1 2.98Å | ||
| 658 | A | 50.1 | Low | 57 | Low | 86 Ų | 86 | 83.5 Ų | 83.5 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | trans | -70.9 | 23.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M566 L656 | M566-A658 HydrophobicContact CE-CB 4.2Å; M566-A658 WeakPolarHBondContact CE-O 3.44Å; L656-A658 PolarHBondContact O-N 3.25Å; L656-A658 VanDerWaalsContact O-N 3.12Å | ||
| 659 | S | 59 | Low | 59.8 | Low | 69 Ų | 69 | 80.5 Ų | 80.5 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -86.3 | 136 | 173.2 | 55.8 | 0 | 0 | 0 | 0 | 109.6 | D657 W661 | D657-S659 PolarHBondContact O-N 3.41Å; S659-W661 PolarHBondContact O-N 3.24Å; S659-W661 VanDerWaalsContact O-N 3.09Å; S659-W661 PolarHBondContact O-NE1 3.34Å; S659-W661 VanDerWaalsContact O-NE1 3.11Å |
| 660 | S | 62.9 | Low | 62.7 | Low | 64 Ų | 64 | 73.6 Ų | 73.6 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | trans | -62.2 | 109.6 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | Q562 L662 | Q562-S660 PolarHBondContact NE2-OG 3.06Å; S660-L662 PolarHBondContact OG-O 3.39Å | ||
| 661 | W | 72.3 | Confident | 65.4 | Low | 15 Ų | 15 | 69.4 Ų | 69.4 | 6% | 0.057 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -73.8 | -30.3 | -175.7 | -40.9 | -55.3 | 0 | 0 | 0 | 112.7 | Q562 I565 M566 K581 H603 L607 L656 D657 S659 | Q562-W661 HydrophobicContact CG-CE3 4.19Å; Q562-W661 HydrophobicContact CG-CZ3 4.39Å; I565-W661 HydrophobicContact CB-CH2 4.33Å; I565-W661 HydrophobicContact CD1-CH2 4.08Å; I565-W661 HydrophobicContact CD1-CZ3 3.73Å; I565-W661 HydrophobicContact CG2-CH2 3.73Å; I565-W661 HydrophobicContact CG2-CZ3 4.41Å; M566-W661 HydrophobicContact SD-CZ2 4.49Å; K581-W661 HydrophobicContact CB-CE3 4.32Å; K581-W661 HydrophobicContact CB-CH2 4.02Å; K581-W661 HydrophobicContact CB-CZ3 3.68Å; K581-W661 HydrophobicContact CD-CD2 4.03Å; K581-W661 HydrophobicContact CD-CE3 3.98Å; K581-W661 HydrophobicContact CD-CH2 3.69Å; K581-W661 HydrophobicContact CD-CZ2 3.76Å; K581-W661 HydrophobicContact CD-CZ3 3.81Å; K581-W661 HydrophobicContact CG-CD2 4.2Å; K581-W661 HydrophobicContact CG-CE3 3.69Å; K581-W661 HydrophobicContact CG-CH2 3.92Å; K581-W661 HydrophobicContact CG-CZ2 4.43Å; K581-W661 HydrophobicContact CG-CZ3 3.53Å; H603-W661 PolarHBondContact CD2-O 3.17Å; H603-W661 VanDerWaalsContact CD2-O 3.29Å; H603-W661 PolarHBondContact NE2-O 3.36Å; L607-W661 HydrophobicContact CD1-CB 3.69Å; L607-W661 HydrophobicContact CD2-CB 4.06Å; L607-W661 HydrophobicContact CD2-CG 4.32Å; L656-W661 HydrophobicContact CD2-CH2 4.04Å; L656-W661 HydrophobicContact CD2-CZ2 3.91Å; D657-W661 PolarHBondContact O-NE1 2.98Å; S659-W661 PolarHBondContact O-N 3.24Å; S659-W661 VanDerWaalsContact O-N 3.09Å; S659-W661 PolarHBondContact O-NE1 3.34Å; S659-W661 VanDerWaalsContact O-NE1 3.11Å |
| 662 | L | 80.6 | Confident | 68.3 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -102.1 | 100.5 | 166.4 | -177.4 | 64.4 | 0 | 0 | 0 | 107.3 | M559 Q562 V588 L600 S660 G664 L667 | M559-L662 HydrophobicContact CG-CD2 3.78Å; Q562-L662 PolarHBondContact NE2-O 3.08Å; Q562-L662 VanDerWaalsContact OE1-CB 3.27Å; V588-L662 HydrophobicContact CG1-CD1 4.14Å; V588-L662 HydrophobicContact CG2-CD1 4.11Å; V588-L662 HydrophobicContact CG2-CD2 4.05Å; L600-L662 HydrophobicContact CD1-CD1 3.73Å; S660-L662 PolarHBondContact OG-O 3.39Å; L662-G664 PolarHBondContact O-N 3.29Å; L662-G664 VanDerWaalsContact O-N 3.17Å; L662-L667 HydrophobicContact CD1-CB 4.45Å; L662-L667 HydrophobicContact CD1-CD2 4.31Å; L662-L667 HydrophobicContact CD2-CD2 4.08Å; L662-L667 HydrophobicContact CG-CD2 4.3Å |
| 663 | D | 81.1 | Confident | 71.1 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 42% | 0.422 | 38% | 0.381 | S | S | . | . | trans | -67.9 | 113.6 | 173.7 | -174 | -10.5 | 0 | 0 | 0 | 109 | E665 E666 L667 | D663-E665 PolarHBondContact O-N 3.01Å; D663-E665 PolarHBondContact OD1-N 2.94Å; D663-E666 HydrophobicContact CB-CB 3.86Å; D663-E666 PolarHBondContact O-N 3.14Å; D663-L667 WeakPolarHBondContact O-CB 3.49Å; D663-L667 PolarHBondContact O-N 3.13Å | ||
| 664 | G | 82.8 | Confident | 73.6 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.6 | -29 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | L662 K668 | L662-G664 PolarHBondContact O-N 3.29Å; L662-G664 VanDerWaalsContact O-N 3.17Å; G664-K668 WeakPolarHBondContact O-CB 3.33Å; G664-K668 WeakPolarHBondContact O-CD 3.42Å; G664-K668 WeakPolarHBondContact O-CG 3.3Å; G664-K668 PolarHBondContact O-N 3.18Å; G664-K668 VanDerWaalsContact O-N 3.11Å |
| 665 | E | 84.6 | Confident | 75.9 | Confident | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78.7 | -42.1 | 176.7 | -64.4 | -56 | 126.1 | 0 | 0 | 111.6 | D663 L667 K668 E669 | D663-E665 PolarHBondContact O-N 3.01Å; D663-E665 PolarHBondContact OD1-N 2.94Å; E665-L667 VanDerWaalsContact C-N 3.29Å; E665-L667 PolarHBondContact O-N 3.16Å; E665-K668 PolarHBondContact O-N 2.92Å; E665-K668 IonicContact OE1-NZ 2.82Å; E665-K668 PolarHBondContact OE1-NZ 3.37Å; E665-E669 PolarHBondContact O-N 3.12Å |
| 666 | E | 84.9 | Confident | 78.1 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 173.5 | -170.9 | -176.1 | 171.4 | 0 | 0 | 111.2 | S599 D663 S670 | S599-E666 PolarHBondContact OG-OE1 2.88Å; D663-E666 HydrophobicContact CB-CB 3.86Å; D663-E666 PolarHBondContact O-N 3.14Å; E666-S670 VanDerWaalsContact O-CB 3.24Å; E666-S670 WeakPolarHBondContact O-CB 3.46Å; E666-S670 PolarHBondContact O-N 2.89Å; E666-S670 PolarHBondContact O-OG 3.37Å |
| 667 | L | 87.9 | Confident | 79.9 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.6 | -179.8 | 64.7 | 0 | 0 | 0 | 111.7 | F555 M559 L600 L662 D663 E665 S670 L671 | F555-L667 HydrophobicContact CB-CD2 4.11Å; F555-L667 HydrophobicContact CD1-CD1 3.89Å; F555-L667 HydrophobicContact CD1-CD2 3.85Å; F555-L667 HydrophobicContact CE1-CD1 3.8Å; F555-L667 HydrophobicContact CG-CD1 4.35Å; F555-L667 HydrophobicContact CG-CD2 4.1Å; F555-L667 HydrophobicContact CZ-CD1 4.17Å; M559-L667 HydrophobicContact SD-CD2 4.22Å; L600-L667 HydrophobicContact CD2-CD1 3.77Å; L662-L667 HydrophobicContact CD1-CB 4.45Å; L662-L667 HydrophobicContact CD1-CD2 4.31Å; L662-L667 HydrophobicContact CD2-CD2 4.08Å; L662-L667 HydrophobicContact CG-CD2 4.3Å; D663-L667 WeakPolarHBondContact O-CB 3.49Å; D663-L667 PolarHBondContact O-N 3.13Å; E665-L667 VanDerWaalsContact C-N 3.29Å; E665-L667 PolarHBondContact O-N 3.16Å; L667-S670 PolarHBondContact O-N 3.48Å; L667-L671 HydrophobicContact CD1-CD1 3.8Å; L667-L671 HydrophobicContact CD1-CG 4.11Å; L667-L671 HydrophobicContact CG-CD1 3.9Å; L667-L671 WeakPolarHBondContact O-CB 3.47Å; L667-L671 WeakPolarHBondContact O-CG 3.34Å; L667-L671 PolarHBondContact O-N 2.88Å |
| 668 | K | 87.1 | Confident | 81.6 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 21% | 0.213 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 177 | -77.4 | 168.4 | -168.5 | 171.1 | 0 | 111.2 | G664 E665 S670 L671 K672 V678 L681 | G664-K668 WeakPolarHBondContact O-CB 3.33Å; G664-K668 WeakPolarHBondContact O-CD 3.42Å; G664-K668 WeakPolarHBondContact O-CG 3.3Å; G664-K668 PolarHBondContact O-N 3.18Å; G664-K668 VanDerWaalsContact O-N 3.11Å; E665-K668 PolarHBondContact O-N 2.92Å; E665-K668 IonicContact OE1-NZ 2.82Å; E665-K668 PolarHBondContact OE1-NZ 3.37Å; K668-S670 PolarHBondContact O-N 3.29Å; K668-L671 PolarHBondContact O-N 2.73Å; K668-K672 WeakPolarHBondContact O-CB 3.37Å; K668-K672 PolarHBondContact O-N 2.85Å; K668-V678 HydrophobicContact CB-CB 4.44Å; K668-V678 HydrophobicContact CG-CB 4.31Å; K668-V678 WeakPolarHBondContact O-CG1 3.39Å; K668-L681 HydrophobicContact CG-CB 4.18Å; K668-L681 HydrophobicContact CG-CD1 3.94Å |
| 669 | E | 87.9 | Confident | 83.3 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 179.5 | -72.2 | -60.5 | 132.6 | 0 | 0 | 111.4 | E665 L671 K672 L673 | E665-E669 PolarHBondContact O-N 3.12Å; E669-L671 PolarHBondContact O-N 3.31Å; E669-K672 PolarHBondContact O-N 2.61Å; E669-K672 IonicContact OE1-NZ 3.7Å; E669-L673 WeakPolarHBondContact O-CB 3.5Å; E669-L673 VanDerWaalsContact O-CG 3.29Å; E669-L673 WeakPolarHBondContact O-CG 3.49Å; E669-L673 PolarHBondContact O-N 3.44Å |
| 670 | S | 88.1 | Confident | 84.4 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | E666 L667 K668 | E666-S670 VanDerWaalsContact O-CB 3.24Å; E666-S670 WeakPolarHBondContact O-CB 3.46Å; E666-S670 PolarHBondContact O-N 2.89Å; E666-S670 PolarHBondContact O-OG 3.37Å; L667-S670 PolarHBondContact O-N 3.48Å; K668-S670 PolarHBondContact O-N 3.29Å |
| 671 | L | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.3 | -36.8 | 177.8 | -71.5 | 174.5 | 0 | 0 | 0 | 112 | L552 F555 L595 I597 L667 K668 E669 L673 R674 D675 Y676 V678 L681 | L552-L671 HydrophobicContact CD2-CD1 4.1Å; F555-L671 HydrophobicContact CD2-CD1 4.01Å; F555-L671 HydrophobicContact CE2-CD1 4.22Å; F555-L671 HydrophobicContact CE2-CD2 4.14Å; L595-L671 HydrophobicContact CD1-CD2 3.9Å; I597-L671 HydrophobicContact CD1-CD2 4.16Å; L667-L671 HydrophobicContact CD1-CD1 3.8Å; L667-L671 HydrophobicContact CD1-CG 4.11Å; L667-L671 HydrophobicContact CG-CD1 3.9Å; L667-L671 WeakPolarHBondContact O-CB 3.47Å; L667-L671 WeakPolarHBondContact O-CG 3.34Å; L667-L671 PolarHBondContact O-N 2.88Å; K668-L671 PolarHBondContact O-N 2.73Å; E669-L671 PolarHBondContact O-N 3.31Å; L671-L673 VanDerWaalsContact C-N 3.34Å; L671-L673 PolarHBondContact O-N 3.04Å; L671-R674 CarbonylContact O-C 3.58Å; L671-R674 WeakPolarHBondContact O-CA 3.33Å; L671-R674 WeakPolarHBondContact O-CB 3.43Å; L671-R674 PolarHBondContact O-N 3Å; L671-D675 PolarHBondContact O-N 2.96Å; L671-Y676 HydrophobicContact CB-CG 4.44Å; L671-Y676 HydrophobicContact CD2-CD2 4.27Å; L671-Y676 HydrophobicContact CD2-CG 4.37Å; L671-Y676 WeakPolarHBondContact O-CB 3.31Å; L671-Y676 PolarHBondContact O-N 3Å; L671-V678 HydrophobicContact CB-CG1 3.83Å; L671-L681 HydrophobicContact CD1-CD1 3.68Å |
| 672 | K | 88.6 | Confident | 85.8 | Confident | 113 Ų | 113 | 63 Ų | 63 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 176.5 | -175.1 | -178.9 | 174.9 | -168.5 | 0 | 112.4 | K668 E669 R674 D675 V678 | K668-K672 WeakPolarHBondContact O-CB 3.37Å; K668-K672 PolarHBondContact O-N 2.85Å; E669-K672 PolarHBondContact O-N 2.61Å; E669-K672 IonicContact OE1-NZ 3.7Å; K672-R674 PolarHBondContact O-N 3.21Å; K672-R674 VanDerWaalsContact O-N 3.1Å; K672-D675 PolarHBondContact O-N 3.16Å; K672-D675 VanDerWaalsContact O-N 3.1Å; K672-V678 HydrophobicContact CB-CG1 4.21Å; K672-V678 HydrophobicContact CB-CG2 4.28Å; K672-V678 HydrophobicContact CD-CG2 4.43Å |
| 673 | L | 89.7 | Confident | 86 | Confident | 145 Ų | 145 | 67.1 Ų | 67.1 | 76% | 0.759 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.1 | 170.8 | -75.7 | 169.2 | 0 | 0 | 0 | 113.5 | E669 L671 | E669-L673 WeakPolarHBondContact O-CB 3.5Å; E669-L673 VanDerWaalsContact O-CG 3.29Å; E669-L673 WeakPolarHBondContact O-CG 3.49Å; E669-L673 PolarHBondContact O-N 3.44Å; L671-L673 VanDerWaalsContact C-N 3.34Å; L671-L673 PolarHBondContact O-N 3.04Å |
| 674 | R | 87.7 | Confident | 86 | Confident | 101 Ų | 101 | 67.6 Ų | 67.6 | 38% | 0.381 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 19.8 | 179.6 | -65.3 | 175.1 | 158 | -78.3 | -10 | 112.2 | L595 S596 L671 K672 Y676 | L595-R674 PolarHBondContact O-NE 3.17Å; L595-R674 PolarHBondContact O-NH1 2.87Å; L595-R674 PolarHBondContact O-NH2 2.72Å; S596-R674 VanDerWaalsContact C-NH2 3.34Å; S596-R674 PolarHBondContact O-NH2 3.25Å; L671-R674 CarbonylContact O-C 3.58Å; L671-R674 WeakPolarHBondContact O-CA 3.33Å; L671-R674 WeakPolarHBondContact O-CB 3.43Å; L671-R674 PolarHBondContact O-N 3Å; K672-R674 PolarHBondContact O-N 3.21Å; K672-R674 VanDerWaalsContact O-N 3.1Å; R674-Y676 VanDerWaalsContact C-N 3.29Å; R674-Y676 HydrophobicContact CB-CD2 3.87Å; R674-Y676 HydrophobicContact CB-CE2 4.04Å; R674-Y676 WeakPolarHBondContact O-CD2 3.32Å; R674-Y676 PolarHBondContact O-N 3.46Å |
| 675 | D | 86.6 | Confident | 86.3 | Confident | 155 Ų | 155 | 67.3 Ų | 67.3 | 83% | 0.829 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 24.2 | 176.5 | -55.9 | -47.6 | 0 | 0 | 0 | 115.4 | L671 K672 | L671-D675 PolarHBondContact O-N 2.96Å; K672-D675 PolarHBondContact O-N 3.16Å; K672-D675 VanDerWaalsContact O-N 3.1Å |
| 676 | Y | 88.6 | Confident | 86.4 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | trans | -80.2 | 139.4 | 170.3 | -73.6 | -103.9 | 0 | 0 | 0 | 111.2 | E548 I551 L552 L595 L671 R674 V678 | E548-Y676 HydrophobicContact CB-CD1 4.44Å; E548-Y676 HydrophobicContact CB-CE1 4.39Å; E548-Y676 HydrophobicContact CG-CD1 3.49Å; E548-Y676 VanDerWaalsContact CG-CD1 3.49Å; E548-Y676 HydrophobicContact CG-CE1 3.89Å; E548-Y676 HydrophobicContact CG-CG 4.34Å; I551-Y676 HydrophobicContact CB-CE1 4.3Å; I551-Y676 HydrophobicContact CD1-CE1 4.13Å; I551-Y676 HydrophobicContact CG2-CE1 4.04Å; L552-Y676 HydrophobicContact CD2-CD1 4.27Å; L552-Y676 HydrophobicContact CG-CD1 4.31Å; L595-Y676 HydrophobicContact CD2-CE2 4.45Å; L595-Y676 VanDerWaalsContact CD2-OH 3.3Å; L595-Y676 WeakPolarHBondContact CD2-OH 3.31Å; L671-Y676 HydrophobicContact CB-CG 4.44Å; L671-Y676 HydrophobicContact CD2-CD2 4.27Å; L671-Y676 HydrophobicContact CD2-CG 4.37Å; L671-Y676 WeakPolarHBondContact O-CB 3.31Å; L671-Y676 PolarHBondContact O-N 3Å; R674-Y676 VanDerWaalsContact C-N 3.29Å; R674-Y676 HydrophobicContact CB-CD2 3.87Å; R674-Y676 HydrophobicContact CB-CE2 4.04Å; R674-Y676 WeakPolarHBondContact O-CD2 3.32Å; R674-Y676 PolarHBondContact O-N 3.46Å; Y676-V678 PolarHBondContact O-N 3.42Å | ||
| 677 | D | 87.7 | Confident | 86.2 | Confident | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | trans | -75.4 | 94.5 | 169.9 | -176.6 | 5.6 | 0 | 0 | 0 | 111.2 | E548 L552 A679 | E548-D677 PolarHBondContact OE1-N 2.99Å; L552-D677 WeakPolarHBondContact CD1-O 3.06Å; D677-A679 PolarHBondContact O-N 3.35Å; D677-A679 WeakPolarHBondContact OD1-CB 3.32Å; D677-A679 PolarHBondContact OD1-N 3.47Å | ||
| 678 | V | 86.5 | Confident | 85.9 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -76.3 | -1.3 | -177.6 | -64.5 | 0 | 0 | 0 | 0 | 114.5 | K668 L671 K672 Y676 R680 L681 | K668-V678 HydrophobicContact CB-CB 4.44Å; K668-V678 HydrophobicContact CG-CB 4.31Å; K668-V678 WeakPolarHBondContact O-CG1 3.39Å; L671-V678 HydrophobicContact CB-CG1 3.83Å; K672-V678 HydrophobicContact CB-CG1 4.21Å; K672-V678 HydrophobicContact CB-CG2 4.28Å; K672-V678 HydrophobicContact CD-CG2 4.43Å; Y676-V678 PolarHBondContact O-N 3.42Å; V678-R680 PolarHBondContact O-N 2.94Å; V678-R680 VanDerWaalsContact O-N 3.11Å; V678-L681 HydrophobicContact CB-CD1 3.85Å; V678-L681 HydrophobicContact CG1-CD1 3.72Å; V678-L681 WeakPolarHBondContact O-CB 3.31Å; V678-L681 PolarHBondContact O-N 2.89Å |
| 679 | A | 85 | Confident | 85.8 | Confident | 67 Ų | 67 | 64.2 Ų | 64.2 | 55% | 0.554 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -57.1 | -31.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D677 | D677-A679 PolarHBondContact O-N 3.35Å; D677-A679 WeakPolarHBondContact OD1-CB 3.32Å; D677-A679 PolarHBondContact OD1-N 3.47Å |
| 680 | R | 83.4 | Confident | 85.7 | Confident | 70 Ų | 70 | 65.9 Ų | 65.9 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -75.4 | -24.8 | 178.9 | -62.8 | -179.2 | 70.6 | -145.7 | -0.3 | 113.5 | S549 D553 R556 V678 G682 Q683 | S549-R680 PolarHBondContact O-NH1 3.35Å; D553-R680 IonicContact OD1-CZ 3.35Å; D553-R680 IonicContact OD1-NH1 3.53Å; D553-R680 IonicContact OD1-NH2 2.77Å; D553-R680 PolarHBondContact OD1-NH2 3.39Å; D553-R680 IonicContact OD2-CZ 2.69Å; D553-R680 IonicContact OD2-NH1 3.37Å; D553-R680 PolarHBondContact OD2-NH1 2.92Å; D553-R680 IonicContact OD2-NH2 3.04Å; D553-R680 PolarHBondContact OD2-NH2 2.92Å; R556-R680 WeakPolarHBondContact CD-O 3.34Å; R556-R680 PolarHBondContact NE-O 2.76Å; R556-R680 VanDerWaalsContact NE-O 3.12Å; V678-R680 PolarHBondContact O-N 2.94Å; V678-R680 VanDerWaalsContact O-N 3.11Å; R680-G682 PolarHBondContact O-N 3.36Å; R680-Q683 WeakPolarHBondContact O-CB 3.49Å; R680-Q683 PolarHBondContact O-N 3.05Å |
| 681 | L | 84.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.4 | -177.9 | -69.4 | 170.5 | 0 | 0 | 0 | 112.3 | L552 F555 R556 M559 K668 L671 V678 Q683 | L552-L681 HydrophobicContact CD2-CD1 3.98Å; L552-L681 HydrophobicContact CD2-CD2 3.99Å; L552-L681 HydrophobicContact CD2-CG 3.92Å; F555-L681 HydrophobicContact CB-CD2 4.05Å; R556-L681 HydrophobicContact CG-CD2 4.01Å; M559-L681 HydrophobicContact CE-CB 4.19Å; M559-L681 HydrophobicContact CE-CD2 3.76Å; M559-L681 WeakPolarHBondContact CE-O 3.3Å; K668-L681 HydrophobicContact CG-CB 4.18Å; K668-L681 HydrophobicContact CG-CD1 3.94Å; L671-L681 HydrophobicContact CD1-CD1 3.68Å; V678-L681 HydrophobicContact CB-CD1 3.85Å; V678-L681 HydrophobicContact CG1-CD1 3.72Å; V678-L681 WeakPolarHBondContact O-CB 3.31Å; V678-L681 PolarHBondContact O-N 2.89Å; L681-Q683 VanDerWaalsContact C-N 3.3Å; L681-Q683 PolarHBondContact O-N 2.91Å |
| 682 | G | 80.3 | Confident | 84.8 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 57% | 0.567 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R680 | R680-G682 PolarHBondContact O-N 3.36Š|
| 683 | Q | 83.9 | Confident | 84.2 | Confident | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -84.4 | 132 | -178 | -63.7 | 179.6 | 1.6 | 0 | 0 | 111 | R556 R680 L681 F685 | R556-Q683 PolarHBondContact NE-O 3.46Å; R556-Q683 PolarHBondContact NH2-O 3.08Å; R680-Q683 WeakPolarHBondContact O-CB 3.49Å; R680-Q683 PolarHBondContact O-N 3.05Å; L681-Q683 VanDerWaalsContact C-N 3.3Å; L681-Q683 PolarHBondContact O-N 2.91Å; Q683-F685 PolarHBondContact O-N 2.87Å |
| 684 | P | 82.1 | Confident | 83.6 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 57% | 0.571 | 37% | 0.365 | S | S | * | . | trans | -60 | 127 | -178.6 | 26.8 | -35.2 | 0 | 0 | 0 | 110.3 | P687 S688 | P684-P687 HydrophobicContact CB-CG 4.04Å; P684-P687 HydrophobicContact CG-CB 4.48Å; P684-P687 HydrophobicContact CG-CG 4.13Å; P684-S688 WeakPolarHBondContact O-CB 3.45Å; P684-S688 PolarHBondContact O-N 2.95Å | ||
| 685 | F | 88.7 | Confident | 82.9 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 5% | 0.053 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -60.5 | -171.9 | 176.7 | -99.9 | 0 | 0 | 0 | 111.9 | L514 Y518 R556 L557 A560 Q683 S688 M689 | L514-F685 HydrophobicContact CB-CE2 4.38Å; L514-F685 HydrophobicContact CB-CZ 4.07Å; Y518-F685 HydrophobicContact CD2-CD1 4.45Å; Y518-F685 HydrophobicContact CD2-CE1 4.24Å; Y518-F685 HydrophobicContact CG-CE1 4.25Å; R556-F685 HydrophobicContact CB-CD2 3.77Å; L557-F685 HydrophobicContact CB-CE2 3.88Å; L557-F685 HydrophobicContact CB-CZ 3.95Å; L557-F685 HydrophobicContact CD1-CE1 3.94Å; L557-F685 HydrophobicContact CD1-CZ 3.78Å; L557-F685 HydrophobicContact CG-CZ 4.42Å; A560-F685 HydrophobicContact CB-CB 3.71Å; A560-F685 HydrophobicContact CB-CD1 3.62Å; A560-F685 HydrophobicContact CB-CE1 4.44Å; A560-F685 HydrophobicContact CB-CG 3.79Å; Q683-F685 PolarHBondContact O-N 2.87Å; F685-S688 WeakPolarHBondContact O-CB 3.32Å; F685-S688 PolarHBondContact O-N 3.46Å; F685-M689 HydrophobicContact CD1-CG 4.4Å; F685-M689 HydrophobicContact CD2-CG 3.89Å; F685-M689 HydrophobicContact CE1-CG 4.26Å; F685-M689 HydrophobicContact CE2-CE 3.77Å; F685-M689 HydrophobicContact CE2-CG 3.76Å; F685-M689 HydrophobicContact CE2-SD 4.23Å; F685-M689 HydrophobicContact CG-CG 4.22Å; F685-M689 HydrophobicContact CZ-CE 3.94Å; F685-M689 HydrophobicContact CZ-CG 3.94Å; F685-M689 WeakPolarHBondContact O-CB 3.4Å; F685-M689 WeakPolarHBondContact O-CG 3.37Å; F685-M689 PolarHBondContact O-N 2.87Å |
| 686 | L | 85.7 | Confident | 81.9 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -50.7 | -173.7 | -70 | 171.7 | 0 | 0 | 0 | 114.1 | L515 Y518 S688 M689 R690 | L515-L686 HydrophobicContact CD1-CD2 3.87Å; Y518-L686 HydrophobicContact CD1-CD2 3.65Å; Y518-L686 HydrophobicContact CD2-CD2 4.47Å; Y518-L686 HydrophobicContact CE1-CD1 3.91Å; Y518-L686 HydrophobicContact CE1-CD2 3.7Å; Y518-L686 HydrophobicContact CE1-CG 4.27Å; Y518-L686 HydrophobicContact CE2-CD1 4.49Å; Y518-L686 HydrophobicContact CE2-CD2 4.49Å; Y518-L686 HydrophobicContact CG-CD2 4.07Å; L686-S688 VanDerWaalsContact C-N 3.31Å; L686-S688 PolarHBondContact O-N 2.93Å; L686-M689 PolarHBondContact O-N 3.49Å; L686-R690 WeakPolarHBondContact O-CB 3.41Å; L686-R690 WeakPolarHBondContact O-CG 3.29Å; L686-R690 PolarHBondContact O-N 3.01Å |
| 687 | P | 81.7 | Confident | 80.4 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 53% | 0.532 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.3 | -21.5 | 34.2 | 0 | 0 | 0 | 112.2 | P684 K691 | P684-P687 HydrophobicContact CB-CG 4.04Å; P684-P687 HydrophobicContact CG-CB 4.48Å; P684-P687 HydrophobicContact CG-CG 4.13Å; P687-K691 WeakPolarHBondContact O-CB 3.3Å; P687-K691 PolarHBondContact O-N 3.38Å |
| 688 | S | 81.7 | Confident | 78.6 | Confident | 33 Ų | 33 | 61.6 Ų | 61.6 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 177.9 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | R556 P684 F685 L686 A692 | R556-S688 PolarHBondContact NH2-OG 3.36Å; R556-S688 VanDerWaalsContact NH2-OG 3.13Å; P684-S688 WeakPolarHBondContact O-CB 3.45Å; P684-S688 PolarHBondContact O-N 2.95Å; F685-S688 WeakPolarHBondContact O-CB 3.32Å; F685-S688 PolarHBondContact O-N 3.46Å; L686-S688 VanDerWaalsContact C-N 3.31Å; L686-S688 PolarHBondContact O-N 2.93Å; S688-A692 WeakPolarHBondContact O-CB 3.24Å; S688-A692 PolarHBondContact O-N 2.89Å; S688-A692 VanDerWaalsContact O-N 3.11Å |
| 689 | M | 84.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71 | -46.2 | -176.4 | -63 | -64.2 | -93.1 | 0 | 0 | 111.4 | N511 L514 F685 L686 K691 A692 E693 | N511-M689 VanDerWaalsContact CA-CE 3.49Å; N511-M689 HydrophobicContact CB-CE 4.06Å; N511-M689 HydrophobicContact CB-SD 4.23Å; L514-M689 HydrophobicContact CB-CE 3.44Å; L514-M689 VanDerWaalsContact CB-CE 3.44Å; L514-M689 HydrophobicContact CD1-CE 3.8Å; L514-M689 HydrophobicContact CG-CE 4.22Å; F685-M689 HydrophobicContact CD1-CG 4.4Å; F685-M689 HydrophobicContact CD2-CG 3.89Å; F685-M689 HydrophobicContact CE1-CG 4.26Å; F685-M689 HydrophobicContact CE2-CE 3.77Å; F685-M689 HydrophobicContact CE2-CG 3.76Å; F685-M689 HydrophobicContact CE2-SD 4.23Å; F685-M689 HydrophobicContact CG-CG 4.22Å; F685-M689 HydrophobicContact CZ-CE 3.94Å; F685-M689 HydrophobicContact CZ-CG 3.94Å; F685-M689 WeakPolarHBondContact O-CB 3.4Å; F685-M689 WeakPolarHBondContact O-CG 3.37Å; F685-M689 PolarHBondContact O-N 2.87Å; L686-M689 PolarHBondContact O-N 3.49Å; M689-K691 PolarHBondContact O-N 3.26Å; M689-A692 PolarHBondContact O-N 3.09Å; M689-E693 PolarHBondContact O-N 2.81Å |
| 690 | R | 84.9 | Confident | 74.8 | Confident | 133 Ų | 133 | 70 Ų | 70 | 50% | 0.502 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 177.8 | -68.8 | 179.3 | 179.7 | 173.8 | 0.9 | 112.4 | L515 L686 E693 S694 | L515-R690 HydrophobicContact CD1-CG 4.21Å; L515-R690 HydrophobicContact CD2-CG 4.1Å; L686-R690 WeakPolarHBondContact O-CB 3.41Å; L686-R690 WeakPolarHBondContact O-CG 3.29Å; L686-R690 PolarHBondContact O-N 3.01Å; R690-E693 PolarHBondContact O-N 3.35Å; R690-S694 WeakPolarHBondContact O-CB 3.34Å; R690-S694 PolarHBondContact O-N 3.02Å; R690-S694 PolarHBondContact O-OG 3.04Å |
| 691 | K | 80.9 | Confident | 72.4 | Confident | 163 Ų | 163 | 71 Ų | 71 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 174.2 | -173 | 176.7 | -179.5 | -179.3 | 0 | 111.8 | P687 M689 S694 A695 | P687-K691 WeakPolarHBondContact O-CB 3.3Å; P687-K691 PolarHBondContact O-N 3.38Å; M689-K691 PolarHBondContact O-N 3.26Å; K691-S694 VanDerWaalsContact CA-OG 3.32Å; K691-S694 WeakPolarHBondContact CA-OG 3.47Å; K691-S694 PolarHBondContact O-OG 3.34Å; K691-A695 WeakPolarHBondContact O-CB 3.3Å; K691-A695 PolarHBondContact O-N 3.36Å; K691-A695 VanDerWaalsContact O-N 3.08Å |
| 692 | A | 78.3 | Confident | 69.9 | Low | 33 Ų | 33 | 75.7 Ų | 75.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N511 S688 M689 K696 | N511-A692 WeakPolarHBondContact ND2-CB 3.25Å; S688-A692 WeakPolarHBondContact O-CB 3.24Å; S688-A692 PolarHBondContact O-N 2.89Å; S688-A692 VanDerWaalsContact O-N 3.11Å; M689-A692 PolarHBondContact O-N 3.09Å; A692-K696 PolarHBondContact O-N 3.4Å |
| 693 | E | 76.8 | Confident | 67.5 | Low | 40 Ų | 40 | 80.9 Ų | 80.9 | 19% | 0.187 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 175.2 | -78.1 | -60.3 | 132.4 | 0 | 0 | 112.5 | N511 S512 M689 R690 A695 K696 L697 | N511-E693 HydrophobicContact CB-CG 4.08Å; N511-E693 VanDerWaalsContact CB-OE1 3.32Å; N511-E693 WeakPolarHBondContact CB-OE1 3.45Å; S512-E693 PolarHBondContact N-OE1 3.42Å; M689-E693 PolarHBondContact O-N 2.81Å; R690-E693 PolarHBondContact O-N 3.35Å; E693-A695 VanDerWaalsContact C-N 3.34Å; E693-A695 PolarHBondContact O-N 2.93Å; E693-K696 WeakPolarHBondContact O-CB 3.37Å; E693-K696 PolarHBondContact O-N 2.79Å; E693-K696 VanDerWaalsContact O-N 3.17Å; E693-K696 IonicContact OE1-NZ 2.8Å; E693-K696 PolarHBondContact OE1-NZ 3.41Å; E693-L697 PolarHBondContact O-N 3.25Å |
| 694 | S | 77.1 | Confident | 64.9 | Low | 63 Ų | 63 | 81.5 Ų | 81.5 | 44% | 0.441 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.8 | -35.3 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | R690 K691 K696 L697 S698 | R690-S694 WeakPolarHBondContact O-CB 3.34Å; R690-S694 PolarHBondContact O-N 3.02Å; R690-S694 PolarHBondContact O-OG 3.04Å; K691-S694 VanDerWaalsContact CA-OG 3.32Å; K691-S694 WeakPolarHBondContact CA-OG 3.47Å; K691-S694 PolarHBondContact O-OG 3.34Å; S694-K696 VanDerWaalsContact C-N 3.3Å; S694-K696 PolarHBondContact O-N 3.3Å; S694-L697 PolarHBondContact O-N 2.98Å; S694-S698 PolarHBondContact O-N 3.12Å; S694-S698 VanDerWaalsContact O-N 3.08Å |
| 695 | A | 71.4 | Confident | 62.3 | Low | 46 Ų | 46 | 89 Ų | 89 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -30 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K691 E693 S698 N699 | K691-A695 WeakPolarHBondContact O-CB 3.3Å; K691-A695 PolarHBondContact O-N 3.36Å; K691-A695 VanDerWaalsContact O-N 3.08Å; E693-A695 VanDerWaalsContact C-N 3.34Å; E693-A695 PolarHBondContact O-N 2.93Å; A695-S698 PolarHBondContact O-OG 3.18Å; A695-N699 PolarHBondContact O-N 3.08Å |
| 696 | K | 66.8 | Low | 59.5 | Low | 58 Ų | 58 | 93.9 Ų | 93.9 | 25% | 0.252 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 173.5 | -68.9 | 175 | -174.7 | 170.4 | 0 | 111.3 | K508 A692 E693 S694 N700 | K508-K696 PolarHBondContact O-NZ 3.08Å; A692-K696 PolarHBondContact O-N 3.4Å; E693-K696 WeakPolarHBondContact O-CB 3.37Å; E693-K696 PolarHBondContact O-N 2.79Å; E693-K696 VanDerWaalsContact O-N 3.17Å; E693-K696 IonicContact OE1-NZ 2.8Å; E693-K696 PolarHBondContact OE1-NZ 3.41Å; S694-K696 VanDerWaalsContact C-N 3.3Å; S694-K696 PolarHBondContact O-N 3.3Å; K696-N700 PolarHBondContact O-N 3.08Å |
| 697 | L | 56.6 | Low | 56.6 | Low | 120 Ų | 120 | 97.7 Ų | 97.7 | 63% | 0.628 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -38.3 | 177 | -68.9 | 164.8 | 0 | 0 | 0 | 112.1 | E693 S694 S701 | E693-L697 PolarHBondContact O-N 3.25Å; S694-L697 PolarHBondContact O-N 2.98Å; L697-S701 PolarHBondContact O-OG 2.8Å |
| 698 | S | 50.5 | Low | 54.1 | Low | 60 Ų | 60 | 99 Ų | 99 | 42% | 0.42 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.9 | -37.6 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | S694 A695 N700 S701 T702 | S694-S698 PolarHBondContact O-N 3.12Å; S694-S698 VanDerWaalsContact O-N 3.08Å; A695-S698 PolarHBondContact O-OG 3.18Å; S698-N700 VanDerWaalsContact C-N 3.29Å; S698-N700 PolarHBondContact O-N 3.41Å; S698-S701 PolarHBondContact O-N 2.82Å; S698-S701 VanDerWaalsContact O-N 3.09Å; S698-T702 PolarHBondContact O-OG1 3.42Å |
| 699 | N | 48.2 | Very low | 51.4 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.3 | -28.5 | 177.3 | -78.6 | -4.4 | 0 | 0 | 0 | 112.9 | A695 S701 | A695-N699 PolarHBondContact O-N 3.08Å; N699-S701 VanDerWaalsContact C-N 3.26Å; N699-S701 PolarHBondContact O-N 2.96Å |
| 700 | N | 42.5 | Very low | 48.8 | Very low | 146 Ų | 146 | 109.7 Ų | 109.7 | 78% | 0.781 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -9.6 | 173.5 | -75.3 | -7.1 | 0 | 0 | 0 | 113.6 | K696 S698 | K696-N700 PolarHBondContact O-N 3.08Å; S698-N700 VanDerWaalsContact C-N 3.29Å; S698-N700 PolarHBondContact O-N 3.41Å |
| 701 | S | 33.9 | Very low | 46 | Very low | 91 Ų | 91 | 108.6 Ų | 108.6 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -110.4 | 0.9 | -172 | -54.2 | 0 | 0 | 0 | 0 | 114.3 | L697 S698 N699 | L697-S701 PolarHBondContact O-OG 2.8Å; S698-S701 PolarHBondContact O-N 2.82Å; S698-S701 VanDerWaalsContact O-N 3.09Å; N699-S701 VanDerWaalsContact C-N 3.26Å; N699-S701 PolarHBondContact O-N 2.96Å |
| 702 | T | 32.2 | Very low | 43.6 | Very low | 105 Ų | 105 | 109.4 Ų | 109.4 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | trans | -109.7 | 52.8 | -175.7 | 45.4 | 0 | 0 | 0 | 0 | 113.3 | S698 | S698-T702 PolarHBondContact O-OG1 3.42Š| ||
| 703 | D | 30 | Very low | 40.9 | Very low | 165 Ų | 165 | 113.2 Ų | 113.2 | 88% | 0.882 | 67% | 0.669 | S | S | * | * | trans | -102 | 60.9 | 154.5 | -114.7 | -9.2 | 0 | 0 | 0 | 108.6 | ||||
| 704 | S | 28.7 | Very low | 38.5 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -165.8 | 97.8 | 174 | -75.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 705 | R | 27.6 | Very low | 36.2 | Very low | 245 Ų | 245 | 118.3 Ų | 118.3 | 93% | 0.925 | 72% | 0.715 | S | S | * | * | trans | 27.5 | 114.3 | 148 | -73.7 | 173.6 | 156 | 177.5 | -6.2 | 117.6 | ||||
| 706 | S | 29.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | 175.9 | 102.5 | 106 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | S708 | S706-S708 PolarHBondContact O-N 3.09Š| |||
| 707 | S | 26 | Very low | 32 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -70.6 | 104.8 | 166.2 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 708 | S | 28.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -87.2 | 134.4 | 163.6 | 54.1 | 0 | 0 | 0 | 0 | 109.3 | S706 | S706-S708 PolarHBondContact O-N 3.09Š| ||
| 709 | C | 24.5 | Very low | 29.3 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -58.9 | 129.2 | -171.5 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 710 | V | 31.1 | Very low | 28.3 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -122.3 | 110.8 | 153.5 | -173.9 | 0 | 0 | 0 | 0 | 107.1 | E712 | V710-E712 PolarHBondContact O-N 2.8Š| ||
| 711 | S | 26.2 | Very low | 27.6 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 107.3 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 712 | E | 29.2 | Very low | 27.2 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -126.7 | 98.9 | 160.2 | -78.5 | -172.2 | 164.2 | 0 | 0 | 109.6 | V710 | V710-E712 PolarHBondContact O-N 2.8Š| ||
| 713 | S | 22.9 | Very low | 26.9 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | trans | -70.6 | 121.4 | 163.3 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 714 | S | 25 | Very low | 26.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | 165.5 | 147.1 | 122.7 | 48 | 0 | 0 | 0 | 0 | 113 | |||||
| 715 | A | 28.3 | Very low | 26.8 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 73.7 | 83.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 716 | S | 22.7 | Very low | 26.7 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | 26.6 | 112.9 | 120.3 | 176.8 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 717 | S | 27.9 | Very low | 26.7 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | -172.4 | 137.1 | 115.4 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 718 | N | 23.6 | Very low | 26.8 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -70.2 | 135.2 | -170.8 | -65.5 | -46 | 0 | 0 | 0 | 112.5 | ||||
| 719 | S | 28 | Very low | 26.7 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -150.8 | 121.4 | 143.9 | -158.5 | 0 | 0 | 0 | 0 | 112.5 | R721 | S719-R721 PolarHBondContact O-N 3.15Š| ||
| 720 | A | 26.7 | Very low | 26.9 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -2.9 | 96.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | G722 | A720-G722 PolarHBondContact O-N 3.38Š| ||
| 721 | R | 26.8 | Very low | 27.1 | Very low | 246 Ų | 246 | 142.8 Ų | 142.8 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -76.8 | 97.8 | 164.7 | -152.9 | 173.1 | -170.8 | 172.9 | 2.8 | 109.3 | S719 R723 | S719-R721 PolarHBondContact O-N 3.15Å; R721-R723 PolarHBondContact O-N 3.12Å; R721-R723 VanDerWaalsContact O-N 3.07Å | ||
| 722 | G | 25.9 | Very low | 27.3 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -61.5 | 105.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | A720 K724 | A720-G722 PolarHBondContact O-N 3.38Å; G722-K724 PolarHBondContact O-N 3.23Å | ||
| 723 | R | 26 | Very low | 27.6 | Very low | 245 Ų | 245 | 140.1 Ų | 140.1 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 94.9 | 172.4 | -75.6 | -179.8 | -171.1 | 166.3 | 3 | 109.8 | R721 A725 | R721-R723 PolarHBondContact O-N 3.12Å; R721-R723 VanDerWaalsContact O-N 3.07Å; R723-A725 PolarHBondContact O-N 3.19Å | ||
| 724 | K | 27.7 | Very low | 28.2 | Very low | 203 Ų | 203 | 142.5 Ų | 142.5 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 101.4 | 154.5 | -73.7 | -172 | 178 | -179.1 | 0 | 107.3 | G722 S726 | G722-K724 PolarHBondContact O-N 3.23Å; K724-S726 PolarHBondContact O-N 3.32Å | ||
| 725 | A | 27.9 | Very low | 28.8 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 102.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R723 K727 | R723-A725 PolarHBondContact O-N 3.19Å; A725-K727 PolarHBondContact O-N 2.69Å | ||
| 726 | S | 26.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -67.8 | 98.9 | 169.3 | -170.4 | 0 | 0 | 0 | 0 | 107.6 | K724 R728 | K724-S726 PolarHBondContact O-N 3.32Å; S726-R728 PolarHBondContact O-N 2.99Å | ||
| 727 | K | 28.6 | Very low | 30.4 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -63.2 | 104.6 | 164.6 | -77.5 | -178 | 175.3 | -180 | 0 | 106.2 | A725 L729 | A725-K727 PolarHBondContact O-N 2.69Å; K727-L729 PolarHBondContact O-N 3.36Å | ||
| 728 | R | 28.1 | Very low | 30.8 | Very low | 227 Ų | 227 | 141.6 Ų | 141.6 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -50 | 110.3 | 165.5 | -98.2 | -179.5 | 171.5 | 174.1 | -3.9 | 107.4 | S726 D730 | S726-R728 PolarHBondContact O-N 2.99Å; R728-D730 PolarHBondContact O-N 2.97Å | ||
| 729 | L | 27.9 | Very low | 31.7 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | -77.6 | 100 | 168.8 | -140.6 | 85.9 | 0 | 0 | 0 | 105.5 | K727 S731 | K727-L729 PolarHBondContact O-N 3.36Å; L729-S731 PolarHBondContact O-N 3.45Å | ||
| 730 | D | 28.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | trans | -71.3 | 77.4 | 167 | -77.8 | -28.9 | 0 | 0 | 0 | 107.9 | R728 T732 | R728-D730 PolarHBondContact O-N 2.97Å; D730-T732 PolarHBondContact O-N 3.49Å | ||
| 731 | S | 34.1 | Very low | 33.1 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 53% | 0.531 | 71% | 0.713 | S | S | . | * | trans | -92.3 | 70.5 | 176 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | L729 L733 | L729-S731 PolarHBondContact O-N 3.45Å; S731-L733 PolarHBondContact O-N 3.15Å | ||
| 732 | T | 32 | Very low | 34.3 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -77.8 | 108.8 | 161 | 28 | 0 | 0 | 0 | 0 | 107.5 | D730 Q734 | D730-T732 PolarHBondContact O-N 3.49Å; T732-Q734 PolarHBondContact O-N 2.85Å | ||
| 733 | L | 35.6 | Very low | 35.9 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.1 | 95 | 172.3 | -76.5 | 167.1 | 0 | 0 | 0 | 108.1 | S731 Q735 | S731-L733 PolarHBondContact O-N 3.15Å; L733-Q735 PolarHBondContact O-N 3.24Å |
| 734 | Q | 34.7 | Very low | 37.5 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 104.4 | 161.4 | -84 | -179.1 | -13.2 | 0 | 0 | 107.9 | T732 | T732-Q734 PolarHBondContact O-N 2.85Å |
| 735 | Q | 36.6 | Very low | 38.9 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116 | 111.7 | 162.3 | -158.7 | 168.1 | 2.5 | 0 | 0 | 108 | L733 G737 | L733-Q735 PolarHBondContact O-N 3.24Å; Q735-G737 PolarHBondContact O-N 2.95Å |
| 736 | D | 43.8 | Very low | 40.4 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.7 | 53.4 | 173.8 | -56.2 | -37.1 | 0 | 0 | 0 | 114.8 | L738 R765 | D736-L738 VanDerWaalsContact C-N 3.27Å; D736-L738 PolarHBondContact O-N 3.19Å; D736-R765 IonicContact OD2-CZ 3.02Å; D736-R765 IonicContact OD2-NH1 3.53Å; D736-R765 IonicContact OD2-NH2 3.6Å; D736-R765 PolarHBondContact OD2-NH2 3.28Å |
| 737 | G | 42.8 | Very low | 41.5 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 77% | 0.773 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80 | -7.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q735 | Q735-G737 PolarHBondContact O-N 2.95Š|
| 738 | L | 34.8 | Very low | 42.7 | Very low | 98 Ų | 98 | 112.2 Ų | 112.2 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.6 | 176.1 | -83 | 149.3 | 0 | 0 | 0 | 110.5 | D736 F740 | D736-L738 VanDerWaalsContact C-N 3.27Å; D736-L738 PolarHBondContact O-N 3.19Å; L738-F740 HydrophobicContact CB-CE2 3.84Å; L738-F740 HydrophobicContact CB-CZ 4.04Å; L738-F740 VanDerWaalsContact O-CD2 3.31Å; L738-F740 WeakPolarHBondContact O-CD2 3.38Å; L738-F740 PolarHBondContact O-N 2.96Å |
| 739 | V | 43.7 | Very low | 44.1 | Very low | 99 Ų | 99 | 107.6 Ų | 107.6 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 106.6 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 740 | F | 43.9 | Very low | 45.5 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 40% | 0.395 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 122.3 | 171.8 | -64.7 | -80.2 | 0 | 0 | 0 | 109.3 | L738 A742 | L738-F740 HydrophobicContact CB-CE2 3.84Å; L738-F740 HydrophobicContact CB-CZ 4.04Å; L738-F740 VanDerWaalsContact O-CD2 3.31Å; L738-F740 WeakPolarHBondContact O-CD2 3.38Å; L738-F740 PolarHBondContact O-N 2.96Å; F740-A742 PolarHBondContact O-N 3.1Å |
| 741 | P | 40.5 | Very low | 46.7 | Very low | 83 Ų | 83 | 102.2 Ų | 102.2 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | trans | -62.7 | 134.5 | 166 | 25.6 | -29.4 | 0 | 0 | 0 | 108 | T743 | P741-T743 PolarHBondContact O-N 3.02Š| ||
| 742 | A | 51.4 | Low | 47.8 | Very low | 90 Ų | 90 | 103.7 Ų | 103.7 | 74% | 0.744 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -72.2 | 58.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F740 | F740-A742 PolarHBondContact O-N 3.1Š|
| 743 | T | 59.4 | Low | 48.3 | Very low | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -118.8 | 151.1 | 176.1 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | P741 D745 G746 L747 | P741-T743 PolarHBondContact O-N 3.02Å; T743-D745 PolarHBondContact O-N 3.21Å; T743-D745 VanDerWaalsContact O-N 3.15Å; T743-G746 WeakPolarHBondContact O-CA 3.4Å; T743-G746 PolarHBondContact O-N 2.93Å; T743-L747 PolarHBondContact O-N 3.19Å |
| 744 | V | 58.5 | Low | 48.9 | Very low | 110 Ų | 110 | 105.5 Ų | 105.5 | 67% | 0.667 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.6 | -33.2 | 179.7 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | L747 R748 | V744-L747 PolarHBondContact O-N 3.32Å; V744-R748 PolarHBondContact O-N 3.38Å |
| 745 | D | 57.2 | Low | 50 | Low | 100 Ų | 100 | 102.8 Ų | 102.8 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.6 | -35.2 | 174.7 | -72 | -32.2 | 0 | 0 | 0 | 113.2 | T743 L747 R748 Q749 | T743-D745 PolarHBondContact O-N 3.21Å; T743-D745 VanDerWaalsContact O-N 3.15Å; D745-L747 VanDerWaalsContact C-N 3.34Å; D745-R748 PolarHBondContact O-N 2.97Å; D745-Q749 WeakPolarHBondContact O-CB 3.43Å; D745-Q749 WeakPolarHBondContact O-CG 3.43Å; D745-Q749 PolarHBondContact O-N 3.47Å |
| 746 | G | 59.5 | Low | 50.9 | Low | 8 Ų | 8 | 101.2 Ų | 101.2 | 8% | 0.082 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | T743 Q749 A750 | T743-G746 WeakPolarHBondContact O-CA 3.4Å; T743-G746 PolarHBondContact O-N 2.93Å; G746-Q749 PolarHBondContact O-N 3.44Å; G746-A750 PolarHBondContact O-N 2.96Å; G746-A750 VanDerWaalsContact O-N 3.15Å |
| 747 | L | 50.2 | Low | 52 | Low | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.5 | -40.1 | 174.2 | -81.8 | 163.8 | 0 | 0 | 0 | 112.3 | T743 V744 D745 Q749 A750 L751 | T743-L747 PolarHBondContact O-N 3.19Å; V744-L747 PolarHBondContact O-N 3.32Å; D745-L747 VanDerWaalsContact C-N 3.34Å; L747-Q749 VanDerWaalsContact C-N 3.34Å; L747-Q749 PolarHBondContact O-N 3.44Å; L747-A750 PolarHBondContact O-N 2.85Å; L747-L751 WeakPolarHBondContact O-CG 3.37Å; L747-L751 PolarHBondContact O-N 3.44Å |
| 748 | R | 53.8 | Low | 52.8 | Low | 164 Ų | 164 | 101.2 Ų | 101.2 | 62% | 0.619 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61 | -42.8 | 173.5 | -103.4 | -176.7 | -174.8 | 172.1 | 1.2 | 111.8 | V744 D745 A750 L751 T752 | V744-R748 PolarHBondContact O-N 3.38Å; D745-R748 PolarHBondContact O-N 2.97Å; R748-A750 VanDerWaalsContact C-N 3.27Å; R748-A750 PolarHBondContact O-N 3.11Å; R748-L751 PolarHBondContact O-N 2.9Å; R748-T752 WeakPolarHBondContact O-CB 3.49Å; R748-T752 WeakPolarHBondContact O-CG2 3.42Å; R748-T752 PolarHBondContact O-N 3.23Å; R748-T752 PolarHBondContact O-OG1 2.95Å |
| 749 | Q | 57.5 | Low | 54.4 | Low | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -33.2 | 176.9 | -75.6 | 179.8 | 17.3 | 0 | 0 | 112.3 | D745 G746 L747 | D745-Q749 WeakPolarHBondContact O-CB 3.43Å; D745-Q749 WeakPolarHBondContact O-CG 3.43Å; D745-Q749 PolarHBondContact O-N 3.47Å; G746-Q749 PolarHBondContact O-N 3.44Å; L747-Q749 VanDerWaalsContact C-N 3.34Å; L747-Q749 PolarHBondContact O-N 3.44Å |
| 750 | A | 56.7 | Low | 55.6 | Low | 37 Ų | 37 | 101 Ų | 101 | 31% | 0.306 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | G746 L747 R748 | G746-A750 PolarHBondContact O-N 2.96Å; G746-A750 VanDerWaalsContact O-N 3.15Å; L747-A750 PolarHBondContact O-N 2.85Å; R748-A750 VanDerWaalsContact C-N 3.27Å; R748-A750 PolarHBondContact O-N 3.11Å |
| 751 | L | 53.7 | Low | 57 | Low | 146 Ų | 146 | 101.2 Ų | 101.2 | 76% | 0.764 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -78.2 | -26.8 | -177.2 | -75.2 | 164.3 | 0 | 0 | 0 | 114.1 | L747 R748 | L747-L751 WeakPolarHBondContact O-CG 3.37Å; L747-L751 PolarHBondContact O-N 3.44Å; R748-L751 PolarHBondContact O-N 2.9Å |
| 752 | T | 56.9 | Low | 58.4 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 66% | 0.656 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -88.9 | -9.9 | -173.9 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | R748 T754 | R748-T752 WeakPolarHBondContact O-CB 3.49Å; R748-T752 WeakPolarHBondContact O-CG2 3.42Å; R748-T752 PolarHBondContact O-N 3.23Å; R748-T752 PolarHBondContact O-OG1 2.95Å; T752-T754 PolarHBondContact O-N 3.26Å |
| 753 | R | 42.8 | Very low | 59.5 | Low | 174 Ų | 174 | 104.9 Ų | 104.9 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -77.5 | 125.8 | 173.6 | -76.1 | -170.3 | 173.7 | -179.8 | -0.2 | 110.2 | ||
| 754 | T | 49.2 | Very low | 60.4 | Low | 98 Ų | 98 | 106.2 Ų | 106.2 | 60% | 0.601 | 53% | 0.534 | S | S | * | . | trans | -52.2 | 143 | -179 | 41.9 | 0 | 0 | 0 | 0 | 111.6 | T752 D756 C757 | T752-T754 PolarHBondContact O-N 3.26Å; T754-D756 PolarHBondContact O-N 3.34Å; T754-C757 WeakPolarHBondContact O-CB 3.39Å; T754-C757 PolarHBondContact O-N 2.75Å | ||
| 755 | T | 56.7 | Low | 61.1 | Low | 105 Ų | 105 | 106.9 Ų | 106.9 | 64% | 0.644 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -45.7 | -30.5 | -179.2 | 39.7 | 0 | 0 | 0 | 0 | 113.7 | C757 W758 T759 | T755-C757 VanDerWaalsContact C-N 3.28Å; T755-C757 PolarHBondContact O-N 2.79Å; T755-W758 PolarHBondContact O-N 3.47Å; T755-W758 VanDerWaalsContact O-N 3.1Å; T755-T759 PolarHBondContact O-N 2.98Å; T755-T759 PolarHBondContact O-OG1 3.38Å |
| 756 | D | 56 | Low | 61.7 | Low | 108 Ų | 108 | 110.5 Ų | 110.5 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.2 | -33.5 | 179.4 | -56.6 | -22.3 | 0 | 0 | 0 | 113.5 | T754 W758 T759 Q760 | T754-D756 PolarHBondContact O-N 3.34Å; D756-W758 VanDerWaalsContact C-N 3.34Å; D756-T759 WeakPolarHBondContact CA-OG1 3.47Å; D756-T759 PolarHBondContact O-OG1 2.86Å; D756-Q760 VanDerWaalsContact O-CB 3.31Å; D756-Q760 WeakPolarHBondContact O-CB 3.45Å; D756-Q760 PolarHBondContact O-N 3.01Å |
| 757 | C | 66.3 | Low | 62.7 | Low | 42 Ų | 42 | 116.8 Ų | 116.8 | 28% | 0.284 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.1 | -38.5 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | T754 T755 K761 | T754-C757 WeakPolarHBondContact O-CB 3.39Å; T754-C757 PolarHBondContact O-N 2.75Å; T755-C757 VanDerWaalsContact C-N 3.28Å; T755-C757 PolarHBondContact O-N 2.79Å; C757-K761 PolarHBondContact O-N 3.41Å; C757-K761 VanDerWaalsContact O-N 3.14Å |
| 758 | W | 59.7 | Low | 64.1 | Low | 143 Ų | 143 | 117.1 Ų | 117.1 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.9 | -43.2 | 178.2 | -67.2 | 102.8 | 0 | 0 | 0 | 111.4 | T755 D756 Q760 K761 E762 | T755-W758 PolarHBondContact O-N 3.47Å; T755-W758 VanDerWaalsContact O-N 3.1Å; D756-W758 VanDerWaalsContact C-N 3.34Å; W758-Q760 VanDerWaalsContact C-N 3.34Å; W758-Q760 PolarHBondContact O-N 2.92Å; W758-K761 PolarHBondContact O-N 3.38Å; W758-E762 WeakPolarHBondContact O-CB 3.18Å; W758-E762 PolarHBondContact O-N 2.92Å |
| 759 | T | 68.2 | Low | 65.2 | Low | 69 Ų | 69 | 112.3 Ų | 112.3 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 177.8 | 57 | 0 | 0 | 0 | 0 | 111.6 | T755 D756 E762 Q763 | T755-T759 PolarHBondContact O-N 2.98Å; T755-T759 PolarHBondContact O-OG1 3.38Å; D756-T759 WeakPolarHBondContact CA-OG1 3.47Å; D756-T759 PolarHBondContact O-OG1 2.86Å; T759-E762 PolarHBondContact O-N 3.41Å; T759-Q763 WeakPolarHBondContact O-CB 3.49Å; T759-Q763 WeakPolarHBondContact O-CG 3.46Å; T759-Q763 PolarHBondContact O-N 3.22Å |
| 760 | Q | 70 | Confident | 66 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 176.9 | -161.4 | 173.2 | 17 | 0 | 0 | 111.8 | D756 W758 Q763 E764 | D756-Q760 VanDerWaalsContact O-CB 3.31Å; D756-Q760 WeakPolarHBondContact O-CB 3.45Å; D756-Q760 PolarHBondContact O-N 3.01Å; W758-Q760 VanDerWaalsContact C-N 3.34Å; W758-Q760 PolarHBondContact O-N 2.92Å; Q760-Q763 WeakPolarHBondContact O-CB 3.47Å; Q760-Q763 PolarHBondContact O-N 2.94Å; Q760-E764 WeakPolarHBondContact O-CG 3.49Å; Q760-E764 PolarHBondContact O-N 3.38Å |
| 761 | K | 71.7 | Confident | 67.2 | Low | 95 Ų | 95 | 113.1 Ų | 113.1 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 173.8 | -90.6 | -171.5 | 172.5 | -173.6 | 0 | 113.4 | C757 W758 Q763 E764 R765 | C757-K761 PolarHBondContact O-N 3.41Å; C757-K761 VanDerWaalsContact O-N 3.14Å; W758-K761 PolarHBondContact O-N 3.38Å; K761-Q763 VanDerWaalsContact C-N 3.35Å; K761-E764 PolarHBondContact O-N 2.95Å; K761-R765 WeakPolarHBondContact O-CG 3.46Å; K761-R765 PolarHBondContact O-N 3.35Å |
| 762 | E | 71.8 | Confident | 68.4 | Low | 138 Ų | 138 | 108.2 Ų | 108.2 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.4 | -37.3 | 177.4 | -165.1 | 162.7 | -154.5 | 0 | 0 | 110.9 | W758 T759 R765 W766 | W758-E762 WeakPolarHBondContact O-CB 3.18Å; W758-E762 PolarHBondContact O-N 2.92Å; T759-E762 PolarHBondContact O-N 3.41Å; E762-R765 PolarHBondContact O-N 2.9Å; E762-W766 WeakPolarHBondContact O-CB 3.5Å; E762-W766 PolarHBondContact O-N 3.43Å |
| 763 | Q | 73.2 | Confident | 69.2 | Low | 111 Ų | 111 | 108.3 Ų | 108.3 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 169.2 | -75.6 | -179 | 1.3 | 0 | 0 | 112.5 | T759 Q760 K761 W766 K767 | T759-Q763 WeakPolarHBondContact O-CB 3.49Å; T759-Q763 WeakPolarHBondContact O-CG 3.46Å; T759-Q763 PolarHBondContact O-N 3.22Å; Q760-Q763 WeakPolarHBondContact O-CB 3.47Å; Q760-Q763 PolarHBondContact O-N 2.94Å; K761-Q763 VanDerWaalsContact C-N 3.35Å; Q763-W766 PolarHBondContact O-N 3.33Å; Q763-K767 WeakPolarHBondContact O-CG 3.16Å; Q763-K767 PolarHBondContact O-N 3.21Å |
| 764 | E | 78 | Confident | 70.9 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 174 | -76.1 | 175.6 | 171.9 | 0 | 0 | 111.4 | Q760 K761 W766 K767 E768 | Q760-E764 WeakPolarHBondContact O-CG 3.49Å; Q760-E764 PolarHBondContact O-N 3.38Å; K761-E764 PolarHBondContact O-N 2.95Å; E764-W766 VanDerWaalsContact C-N 3.26Å; E764-W766 PolarHBondContact O-N 2.92Å; E764-K767 WeakPolarHBondContact O-CB 3.34Å; E764-K767 PolarHBondContact O-N 3.17Å; E764-K767 VanDerWaalsContact O-N 3.15Å; E764-E768 WeakPolarHBondContact O-CG 3.47Å; E764-E768 PolarHBondContact O-N 3.41Å |
| 765 | R | 74.5 | Confident | 72.5 | Confident | 124 Ų | 124 | 107.3 Ų | 107.3 | 47% | 0.468 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 174.4 | -76.9 | 179.8 | -178.9 | -174.7 | -3.1 | 112.4 | D736 K761 E762 T769 | D736-R765 IonicContact OD2-CZ 3.02Å; D736-R765 IonicContact OD2-NH1 3.53Å; D736-R765 IonicContact OD2-NH2 3.6Å; D736-R765 PolarHBondContact OD2-NH2 3.28Å; K761-R765 WeakPolarHBondContact O-CG 3.46Å; K761-R765 PolarHBondContact O-N 3.35Å; E762-R765 PolarHBondContact O-N 2.9Å; R765-T769 VanDerWaalsContact O-CB 3.32Å; R765-T769 WeakPolarHBondContact O-CB 3.47Å; R765-T769 PolarHBondContact O-N 3.47Å; R765-T769 PolarHBondContact O-OG1 3.02Å |
| 766 | W | 69.6 | Low | 73.5 | Confident | 177 Ų | 177 | 105.3 Ų | 105.3 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 178.2 | -172.3 | 33.1 | 0 | 0 | 0 | 111.1 | E762 Q763 E764 T769 I770 | E762-W766 WeakPolarHBondContact O-CB 3.5Å; E762-W766 PolarHBondContact O-N 3.43Å; Q763-W766 PolarHBondContact O-N 3.33Å; E764-W766 VanDerWaalsContact C-N 3.26Å; E764-W766 PolarHBondContact O-N 2.92Å; W766-T769 PolarHBondContact O-N 3.25Å; W766-I770 HydrophobicContact CD2-CD1 4.08Å; W766-I770 HydrophobicContact CG-CD1 4.15Å; W766-I770 HydrophobicContact CZ2-CD1 4.23Å; W766-I770 VanDerWaalsContact O-CG1 3.29Å; W766-I770 WeakPolarHBondContact O-CG1 3.3Å; W766-I770 PolarHBondContact O-N 3.49Å |
| 767 | K | 80 | Confident | 74.7 | Confident | 139 Ų | 139 | 104.2 Ų | 104.2 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -48.4 | 173.8 | -75.3 | 175.9 | -179 | 176.8 | 0 | 112 | Q763 E764 T769 I770 E771 | Q763-K767 WeakPolarHBondContact O-CG 3.16Å; Q763-K767 PolarHBondContact O-N 3.21Å; E764-K767 WeakPolarHBondContact O-CB 3.34Å; E764-K767 PolarHBondContact O-N 3.17Å; E764-K767 VanDerWaalsContact O-N 3.15Å; K767-T769 VanDerWaalsContact C-N 3.29Å; K767-T769 PolarHBondContact O-N 3.49Å; K767-I770 PolarHBondContact O-N 3.06Å; K767-E771 WeakPolarHBondContact O-CB 3.4Å; K767-E771 PolarHBondContact O-N 3.49Å |
| 768 | E | 80 | Confident | 75.1 | Confident | 126 Ų | 126 | 110 Ų | 110 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | 176.8 | -72.8 | 176.7 | 175.2 | 0 | 0 | 111.5 | E764 E771 M772 | E764-E768 WeakPolarHBondContact O-CG 3.47Å; E764-E768 PolarHBondContact O-N 3.41Å; E768-E771 PolarHBondContact O-N 3.35Å; E768-M772 WeakPolarHBondContact O-CB 3.36Å; E768-M772 PolarHBondContact O-N 2.83Å |
| 769 | T | 76.1 | Confident | 76.1 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 39% | 0.387 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | R765 W766 K767 M772 F773 | R765-T769 VanDerWaalsContact O-CB 3.32Å; R765-T769 WeakPolarHBondContact O-CB 3.47Å; R765-T769 PolarHBondContact O-N 3.47Å; R765-T769 PolarHBondContact O-OG1 3.02Å; W766-T769 PolarHBondContact O-N 3.25Å; K767-T769 VanDerWaalsContact C-N 3.29Å; K767-T769 PolarHBondContact O-N 3.49Å; T769-M772 HydrophobicContact CG2-CE 4.4Å; T769-M772 WeakPolarHBondContact O-CB 3.37Å; T769-M772 PolarHBondContact O-N 3.08Å; T769-F773 HydrophobicContact CG2-CD2 3.88Å; T769-F773 HydrophobicContact CG2-CE2 3.87Å; T769-F773 VanDerWaalsContact O-CD2 3.25Å; T769-F773 WeakPolarHBondContact O-CD2 3.26Å; T769-F773 PolarHBondContact O-N 3.2Å |
| 770 | I | 75.6 | Confident | 76.6 | Confident | 65 Ų | 65 | 108 Ų | 108 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 176.3 | -70 | 166.1 | 0 | 0 | 0 | 110.5 | W766 K767 M772 F773 Q774 | W766-I770 HydrophobicContact CD2-CD1 4.08Å; W766-I770 HydrophobicContact CG-CD1 4.15Å; W766-I770 HydrophobicContact CZ2-CD1 4.23Å; W766-I770 VanDerWaalsContact O-CG1 3.29Å; W766-I770 WeakPolarHBondContact O-CG1 3.3Å; W766-I770 PolarHBondContact O-N 3.49Å; K767-I770 PolarHBondContact O-N 3.06Å; I770-M772 VanDerWaalsContact C-N 3.33Å; I770-M772 PolarHBondContact O-N 2.69Å; I770-F773 PolarHBondContact O-N 3.11Å; I770-Q774 HydrophobicContact CG2-CG 4.35Å; I770-Q774 WeakPolarHBondContact O-CG 3.47Å; I770-Q774 PolarHBondContact O-N 3.06Å |
| 771 | E | 80.6 | Confident | 76.8 | Confident | 120 Ų | 120 | 102.7 Ų | 102.7 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | 179.3 | -172 | 174.4 | -172.4 | 0 | 0 | 111.3 | K767 E768 F773 Q774 T775 | K767-E771 WeakPolarHBondContact O-CB 3.4Å; K767-E771 PolarHBondContact O-N 3.49Å; E768-E771 PolarHBondContact O-N 3.35Å; E771-F773 PolarHBondContact O-N 3.41Å; E771-Q774 PolarHBondContact O-N 3.45Å; E771-Q774 VanDerWaalsContact O-N 3.17Å; E771-T775 HydrophobicContact CG-CG2 4.14Å; E771-T775 WeakPolarHBondContact O-CB 3.19Å; E771-T775 WeakPolarHBondContact O-CG2 3.41Å; E771-T775 PolarHBondContact O-N 3.32Å; E771-T775 PolarHBondContact O-OG1 3.48Å |
| 772 | M | 78.8 | Confident | 77 | Confident | 43 Ų | 43 | 100.8 Ų | 100.8 | 21% | 0.212 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 173.3 | -174.6 | -165.6 | 64.6 | 0 | 0 | 111.3 | E768 T769 I770 Q774 M776 L781 I784 | E768-M772 WeakPolarHBondContact O-CB 3.36Å; E768-M772 PolarHBondContact O-N 2.83Å; T769-M772 HydrophobicContact CG2-CE 4.4Å; T769-M772 WeakPolarHBondContact O-CB 3.37Å; T769-M772 PolarHBondContact O-N 3.08Å; I770-M772 VanDerWaalsContact C-N 3.33Å; I770-M772 PolarHBondContact O-N 2.69Å; M772-Q774 VanDerWaalsContact C-N 3.31Å; M772-Q774 PolarHBondContact O-N 3.47Å; M772-M776 HydrophobicContact CG-CG 3.95Å; M772-M776 HydrophobicContact CG-SD 3.54Å; M772-M776 VanDerWaalsContact CG-SD 3.54Å; M772-M776 VanDerWaalsContact O-CB 3.26Å; M772-M776 WeakPolarHBondContact O-CB 3.21Å; M772-M776 WeakPolarHBondContact O-CG 3.44Å; M772-M776 PolarHBondContact O-N 3.29Å; M772-M776 HydrophobicContact SD-SD 4.39Å; M772-L781 HydrophobicContact CE-CD2 3.77Å; M772-L781 HydrophobicContact CG-CD2 3.93Å; M772-L781 HydrophobicContact SD-CD2 4.22Å; M772-I784 HydrophobicContact SD-CD1 4.26Å |
| 773 | F | 74.2 | Confident | 77.4 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.7 | -26.6 | 177.1 | -88.6 | -79.3 | 0 | 0 | 0 | 113.6 | T769 I770 E771 L781 | T769-F773 HydrophobicContact CG2-CD2 3.88Å; T769-F773 HydrophobicContact CG2-CE2 3.87Å; T769-F773 VanDerWaalsContact O-CD2 3.25Å; T769-F773 WeakPolarHBondContact O-CD2 3.26Å; T769-F773 PolarHBondContact O-N 3.2Å; I770-F773 PolarHBondContact O-N 3.11Å; E771-F773 PolarHBondContact O-N 3.41Å; F773-L781 HydrophobicContact CD1-CD1 3.91Å; F773-L781 HydrophobicContact CD1-CD2 4.18Å; F773-L781 HydrophobicContact CE1-CD1 4.41Å; F773-L781 HydrophobicContact CE1-CD2 4.35Å; F773-L781 HydrophobicContact CG-CD2 4.4Å |
| 774 | Q | 78.9 | Confident | 77.6 | Confident | 153 Ų | 153 | 96.9 Ų | 96.9 | 72% | 0.715 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -86.4 | -29.6 | 179.9 | -73 | 178.8 | -3.9 | 0 | 0 | 113.5 | I770 E771 M772 | I770-Q774 HydrophobicContact CG2-CG 4.35Å; I770-Q774 WeakPolarHBondContact O-CG 3.47Å; I770-Q774 PolarHBondContact O-N 3.06Å; E771-Q774 PolarHBondContact O-N 3.45Å; E771-Q774 VanDerWaalsContact O-N 3.17Å; M772-Q774 VanDerWaalsContact C-N 3.31Å; M772-Q774 PolarHBondContact O-N 3.47Å |
| 775 | T | 82.1 | Confident | 77.5 | Confident | 97 Ų | 97 | 96.4 Ų | 96.4 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -107.4 | -29.1 | -171.2 | 59.9 | 0 | 0 | 0 | 0 | 114 | E771 | E771-T775 HydrophobicContact CG-CG2 4.14Å; E771-T775 WeakPolarHBondContact O-CB 3.19Å; E771-T775 WeakPolarHBondContact O-CG2 3.41Å; E771-T775 PolarHBondContact O-N 3.32Å; E771-T775 PolarHBondContact O-OG1 3.48Å |
| 776 | M | 79.2 | Confident | 77.7 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 31% | 0.31 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -80 | 142.7 | -176 | -68.5 | -160.7 | 87.6 | 0 | 0 | 112.7 | M772 F778 Q780 L781 I784 | M772-M776 HydrophobicContact CG-CG 3.95Å; M772-M776 HydrophobicContact CG-SD 3.54Å; M772-M776 VanDerWaalsContact CG-SD 3.54Å; M772-M776 VanDerWaalsContact O-CB 3.26Å; M772-M776 WeakPolarHBondContact O-CB 3.21Å; M772-M776 WeakPolarHBondContact O-CG 3.44Å; M772-M776 PolarHBondContact O-N 3.29Å; M772-M776 HydrophobicContact SD-SD 4.39Å; M776-F778 PolarHBondContact O-N 3.3Å; M776-Q780 HydrophobicContact CE-CB 4.03Å; M776-L781 HydrophobicContact CB-CD1 4.48Å; M776-L781 HydrophobicContact CB-CD2 4.24Å; M776-L781 HydrophobicContact CB-CG 4.07Å; M776-I784 HydrophobicContact SD-CD1 4.21Å |
| 777 | P | 81.3 | Confident | 78 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | trans | -58.1 | 134.6 | 169.1 | -22.6 | 33.2 | 0 | 0 | 0 | 112 | A779 Q780 L781 | P777-A779 PolarHBondContact O-N 3.38Å; P777-Q780 PolarHBondContact O-N 2.98Å; P777-L781 PolarHBondContact O-N 2.91Å | ||
| 778 | F | 74.4 | Confident | 77.8 | Confident | 163 Ų | 163 | 93 Ų | 93 | 72% | 0.715 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.3 | -37.5 | -174.5 | -177.2 | -102.5 | 0 | 0 | 0 | 114.4 | M776 Q780 L781 V782 | M776-F778 PolarHBondContact O-N 3.3Å; F778-Q780 VanDerWaalsContact C-N 3.3Å; F778-Q780 PolarHBondContact O-N 3.15Å; F778-L781 WeakPolarHBondContact O-CB 3.31Å; F778-L781 PolarHBondContact O-N 3.41Å; F778-V782 HydrophobicContact CD1-CG2 4.04Å; F778-V782 HydrophobicContact CE1-CG2 3.61Å; F778-V782 HydrophobicContact CE2-CG2 4.31Å; F778-V782 HydrophobicContact CZ-CG2 3.76Å; F778-V782 WeakPolarHBondContact O-CG2 3.26Å; F778-V782 PolarHBondContact O-N 3.41Å; F778-V782 VanDerWaalsContact O-N 3.07Å |
| 779 | A | 80.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 95.7 Ų | 95.7 | 63% | 0.628 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.2 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P777 V782 E783 | P777-A779 PolarHBondContact O-N 3.38Å; A779-V782 PolarHBondContact O-N 3.13Å; A779-E783 PolarHBondContact O-N 2.95Å |
| 780 | Q | 78.9 | Confident | 77.1 | Confident | 95 Ų | 95 | 96.1 Ų | 96.1 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.5 | -36 | 178 | -72.8 | -179.6 | -18 | 0 | 0 | 111.7 | M776 P777 F778 V782 E783 I784 | M776-Q780 HydrophobicContact CE-CB 4.03Å; P777-Q780 PolarHBondContact O-N 2.98Å; F778-Q780 VanDerWaalsContact C-N 3.3Å; F778-Q780 PolarHBondContact O-N 3.15Å; Q780-V782 VanDerWaalsContact C-N 3.32Å; Q780-V782 PolarHBondContact O-N 3.05Å; Q780-E783 PolarHBondContact O-N 3.19Å; Q780-I784 WeakPolarHBondContact O-CG1 3.41Å; Q780-I784 PolarHBondContact O-N 2.79Å; Q780-I784 VanDerWaalsContact O-N 3.07Å |
| 781 | L | 74.7 | Confident | 77.1 | Confident | 12 Ų | 12 | 102.2 Ų | 102.2 | 6% | 0.063 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 174.4 | -71.8 | 169.2 | 0 | 0 | 0 | 111.8 | M772 F773 M776 P777 F778 I784 Q785 | M772-L781 HydrophobicContact CE-CD2 3.77Å; M772-L781 HydrophobicContact CG-CD2 3.93Å; M772-L781 HydrophobicContact SD-CD2 4.22Å; F773-L781 HydrophobicContact CD1-CD1 3.91Å; F773-L781 HydrophobicContact CD1-CD2 4.18Å; F773-L781 HydrophobicContact CE1-CD1 4.41Å; F773-L781 HydrophobicContact CE1-CD2 4.35Å; F773-L781 HydrophobicContact CG-CD2 4.4Å; M776-L781 HydrophobicContact CB-CD1 4.48Å; M776-L781 HydrophobicContact CB-CD2 4.24Å; M776-L781 HydrophobicContact CB-CG 4.07Å; P777-L781 PolarHBondContact O-N 2.91Å; F778-L781 WeakPolarHBondContact O-CB 3.31Å; F778-L781 PolarHBondContact O-N 3.41Å; L781-I784 PolarHBondContact O-N 3.46Å; L781-Q785 WeakPolarHBondContact O-CG 3.24Å; L781-Q785 PolarHBondContact O-N 3.04Å; L781-Q785 VanDerWaalsContact O-N 3.1Å |
| 782 | V | 74.8 | Confident | 76.6 | Confident | 55 Ų | 55 | 101.8 Ų | 101.8 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 177 | 174 | 0 | 0 | 0 | 0 | 111.3 | F778 A779 Q780 I784 Q785 Q786 | F778-V782 HydrophobicContact CD1-CG2 4.04Å; F778-V782 HydrophobicContact CE1-CG2 3.61Å; F778-V782 HydrophobicContact CE2-CG2 4.31Å; F778-V782 HydrophobicContact CZ-CG2 3.76Å; F778-V782 WeakPolarHBondContact O-CG2 3.26Å; F778-V782 PolarHBondContact O-N 3.41Å; F778-V782 VanDerWaalsContact O-N 3.07Å; A779-V782 PolarHBondContact O-N 3.13Å; Q780-V782 VanDerWaalsContact C-N 3.32Å; Q780-V782 PolarHBondContact O-N 3.05Å; V782-I784 PolarHBondContact O-N 3.38Å; V782-Q785 PolarHBondContact O-N 3.12Å; V782-Q786 WeakPolarHBondContact O-CG 3.39Å; V782-Q786 PolarHBondContact O-N 3.16Å |
| 783 | E | 80 | Confident | 76.2 | Confident | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 179.2 | -166.8 | 172.8 | -168 | 0 | 0 | 111.9 | A779 Q780 Q785 Q786 Q787 | A779-E783 PolarHBondContact O-N 2.95Å; Q780-E783 PolarHBondContact O-N 3.19Å; E783-Q785 VanDerWaalsContact C-N 3.34Å; E783-Q785 PolarHBondContact O-N 3.46Å; E783-Q786 PolarHBondContact O-N 3.24Å; E783-Q787 PolarHBondContact O-N 3.35Å |
| 784 | I | 78.8 | Confident | 76.2 | Confident | 52 Ų | 52 | 101.5 Ų | 101.5 | 27% | 0.267 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.8 | -67.1 | 167.1 | 0 | 0 | 0 | 110.9 | M772 M776 Q780 L781 V782 Q787 K788 | M772-I784 HydrophobicContact SD-CD1 4.26Å; M776-I784 HydrophobicContact SD-CD1 4.21Å; Q780-I784 WeakPolarHBondContact O-CG1 3.41Å; Q780-I784 PolarHBondContact O-N 2.79Å; Q780-I784 VanDerWaalsContact O-N 3.07Å; L781-I784 PolarHBondContact O-N 3.46Å; V782-I784 PolarHBondContact O-N 3.38Å; I784-Q787 PolarHBondContact O-N 3.32Å; I784-K788 PolarHBondContact O-N 3.34Å |
| 785 | Q | 75.8 | Confident | 75.9 | Confident | 92 Ų | 92 | 98 Ų | 98 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 178.4 | -72.8 | -66.4 | -15.7 | 0 | 0 | 112.1 | L781 V782 E783 K788 R789 | L781-Q785 WeakPolarHBondContact O-CG 3.24Å; L781-Q785 PolarHBondContact O-N 3.04Å; L781-Q785 VanDerWaalsContact O-N 3.1Å; V782-Q785 PolarHBondContact O-N 3.12Å; E783-Q785 VanDerWaalsContact C-N 3.34Å; E783-Q785 PolarHBondContact O-N 3.46Å; Q785-K788 PolarHBondContact O-N 3.49Å; Q785-R789 WeakPolarHBondContact O-CB 3.32Å; Q785-R789 PolarHBondContact O-N 3.47Å |
| 786 | Q | 77.2 | Confident | 75 | Confident | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 174.8 | -77 | 179.2 | -7.2 | 0 | 0 | 112 | V782 E783 K788 R789 S790 | V782-Q786 WeakPolarHBondContact O-CG 3.39Å; V782-Q786 PolarHBondContact O-N 3.16Å; E783-Q786 PolarHBondContact O-N 3.24Å; Q786-K788 PolarHBondContact O-N 3.05Å; Q786-R789 PolarHBondContact O-N 3.25Å; Q786-S790 PolarHBondContact O-N 3.34Å; Q786-S790 PolarHBondContact O-OG 3.4Å |
| 787 | Q | 77.6 | Confident | 74.6 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 174.8 | -74.5 | -174.6 | 0.9 | 0 | 0 | 112.9 | E783 I784 S790 R791 | E783-Q787 PolarHBondContact O-N 3.35Å; I784-Q787 PolarHBondContact O-N 3.32Å; Q787-S790 PolarHBondContact O-OG 2.88Å; Q787-R791 PolarHBondContact O-N 3.37Å |
| 788 | K | 75.3 | Confident | 74 | Confident | 127 Ų | 127 | 103.8 Ų | 103.8 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 174.3 | -75.5 | -176.3 | 178.2 | -177.9 | 0 | 111.5 | I784 Q785 Q786 R791 L792 | I784-K788 PolarHBondContact O-N 3.34Å; Q785-K788 PolarHBondContact O-N 3.49Å; Q786-K788 PolarHBondContact O-N 3.05Å; K788-R791 PolarHBondContact O-N 2.76Å; K788-L792 PolarHBondContact O-N 3.22Å |
| 789 | R | 67.7 | Low | 73.3 | Confident | 182 Ų | 182 | 101.9 Ų | 101.9 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -39.1 | 179.2 | -158.5 | 174.8 | -174 | -176.1 | 1.8 | 112.3 | Q785 Q786 L792 N793 | Q785-R789 WeakPolarHBondContact O-CB 3.32Å; Q785-R789 PolarHBondContact O-N 3.47Å; Q786-R789 PolarHBondContact O-N 3.25Å; R789-L792 PolarHBondContact O-N 2.85Å; R789-N793 PolarHBondContact O-N 3.15Å |
| 790 | S | 74.1 | Confident | 72.2 | Confident | 71 Ų | 71 | 105.4 Ų | 105.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.4 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | Q786 Q787 N793 A794 | Q786-S790 PolarHBondContact O-N 3.34Å; Q786-S790 PolarHBondContact O-OG 3.4Å; Q787-S790 PolarHBondContact O-OG 2.88Å; S790-N793 PolarHBondContact O-N 2.98Å; S790-A794 WeakPolarHBondContact O-CB 2.88Å; S790-A794 PolarHBondContact O-N 3.08Å |
| 791 | R | 73.8 | Confident | 71.3 | Confident | 193 Ų | 193 | 107.4 Ų | 107.4 | 73% | 0.728 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 172.8 | -76.4 | -175.6 | 176.8 | -177.9 | 0.9 | 112.5 | Q787 K788 A794 T795 | Q787-R791 PolarHBondContact O-N 3.37Å; K788-R791 PolarHBondContact O-N 2.76Å; R791-A794 PolarHBondContact O-N 3.32Å; R791-T795 PolarHBondContact O-N 3.15Å; R791-T795 PolarHBondContact O-OG1 3.46Å |
| 792 | L | 70.8 | Confident | 70.3 | Confident | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.7 | -49 | 176.6 | -171.5 | 73.1 | 0 | 0 | 0 | 110.7 | K788 R789 A794 T795 V796 | K788-L792 PolarHBondContact O-N 3.22Å; R789-L792 PolarHBondContact O-N 2.85Å; L792-A794 PolarHBondContact O-N 3.42Å; L792-T795 WeakPolarHBondContact O-CB 3.12Å; L792-T795 PolarHBondContact O-N 3.11Å; L792-T795 VanDerWaalsContact O-N 3.1Å; L792-V796 WeakPolarHBondContact O-CG2 3.31Å; L792-V796 PolarHBondContact O-N 3.14Å |
| 793 | N | 71.1 | Confident | 69 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.2 | -44.1 | 178.4 | -73.7 | -2.7 | 0 | 0 | 0 | 112.2 | R789 S790 T795 V796 E797 | R789-N793 PolarHBondContact O-N 3.15Å; S790-N793 PolarHBondContact O-N 2.98Å; N793-T795 VanDerWaalsContact C-N 3.28Å; N793-T795 PolarHBondContact O-N 3.44Å; N793-V796 PolarHBondContact O-N 3.17Å; N793-E797 PolarHBondContact O-N 3.01Å |
| 794 | A | 73.6 | Confident | 67.2 | Low | 56 Ų | 56 | 114.5 Ų | 114.5 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.8 | -34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S790 R791 L792 R798 | S790-A794 WeakPolarHBondContact O-CB 2.88Å; S790-A794 PolarHBondContact O-N 3.08Å; R791-A794 PolarHBondContact O-N 3.32Å; L792-A794 PolarHBondContact O-N 3.42Å; A794-R798 WeakPolarHBondContact O-CB 3.38Å; A794-R798 PolarHBondContact O-N 3.41Å |
| 795 | T | 71.8 | Confident | 65.5 | Low | 81 Ų | 81 | 119 Ų | 119 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.8 | -41.9 | 176.8 | -49.4 | 0 | 0 | 0 | 0 | 110.9 | R791 L792 N793 R798 L799 | R791-T795 PolarHBondContact O-N 3.15Å; R791-T795 PolarHBondContact O-OG1 3.46Å; L792-T795 WeakPolarHBondContact O-CB 3.12Å; L792-T795 PolarHBondContact O-N 3.11Å; L792-T795 VanDerWaalsContact O-N 3.1Å; N793-T795 VanDerWaalsContact C-N 3.28Å; N793-T795 PolarHBondContact O-N 3.44Å; T795-R798 WeakPolarHBondContact O-CB 3.3Å; T795-R798 PolarHBondContact O-N 2.9Å; T795-L799 WeakPolarHBondContact O-CG 3.35Å; T795-L799 PolarHBondContact O-N 3.36Å; T795-L799 VanDerWaalsContact O-N 3.15Å |
| 796 | V | 65 | Low | 63.7 | Low | 59 Ų | 59 | 123.3 Ų | 123.3 | 36% | 0.358 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -45 | 176.8 | 171 | 0 | 0 | 0 | 0 | 111.3 | L792 N793 R798 L799 F800 | L792-V796 WeakPolarHBondContact O-CG2 3.31Å; L792-V796 PolarHBondContact O-N 3.14Å; N793-V796 PolarHBondContact O-N 3.17Å; V796-R798 VanDerWaalsContact C-N 3.28Å; V796-R798 PolarHBondContact O-N 3.46Å; V796-L799 PolarHBondContact O-N 3.12Å; V796-F800 HydrophobicContact CG1-CD2 3.62Å; V796-F800 HydrophobicContact CG1-CE2 3.33Å; V796-F800 WeakPolarHBondContact O-CD2 3.27Å; V796-F800 PolarHBondContact O-N 3.2Å |
| 797 | E | 69.5 | Low | 61.8 | Low | 126 Ų | 126 | 122 Ų | 122 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59 | -39.4 | 175.2 | -79.5 | -177.2 | 173 | 0 | 0 | 112.4 | N793 F800 Q801 | N793-E797 PolarHBondContact O-N 3.01Å; E797-F800 PolarHBondContact O-N 2.84Å; E797-Q801 WeakPolarHBondContact O-CG 3.49Å; E797-Q801 PolarHBondContact O-N 2.6Å |
| 798 | R | 69.4 | Low | 59.9 | Low | 180 Ų | 180 | 123.7 Ų | 123.7 | 68% | 0.679 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 177.3 | -160.4 | 176.9 | -169.9 | 154.5 | 2.2 | 111.8 | A794 T795 V796 F800 Q801 D802 | A794-R798 WeakPolarHBondContact O-CB 3.38Å; A794-R798 PolarHBondContact O-N 3.41Å; T795-R798 WeakPolarHBondContact O-CB 3.3Å; T795-R798 PolarHBondContact O-N 2.9Å; V796-R798 VanDerWaalsContact C-N 3.28Å; V796-R798 PolarHBondContact O-N 3.46Å; R798-F800 VanDerWaalsContact C-N 3.33Å; R798-F800 PolarHBondContact O-N 3.29Å; R798-Q801 PolarHBondContact O-N 2.88Å; R798-D802 PolarHBondContact O-N 3.25Å |
| 799 | L | 59.5 | Low | 57.9 | Low | 124 Ų | 124 | 121.6 Ų | 121.6 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.3 | -37.6 | 175.8 | -69.9 | 168.7 | 0 | 0 | 0 | 112 | T795 V796 G803 | T795-L799 WeakPolarHBondContact O-CG 3.35Å; T795-L799 PolarHBondContact O-N 3.36Å; T795-L799 VanDerWaalsContact O-N 3.15Å; V796-L799 PolarHBondContact O-N 3.12Å; L799-G803 PolarHBondContact O-N 2.77Å |
| 800 | F | 57.2 | Low | 56.3 | Low | 150 Ų | 150 | 116.7 Ų | 116.7 | 66% | 0.658 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.7 | -32.8 | 176.9 | -78.7 | -63 | 0 | 0 | 0 | 113.4 | V796 E797 R798 | V796-F800 HydrophobicContact CG1-CD2 3.62Å; V796-F800 HydrophobicContact CG1-CE2 3.33Å; V796-F800 WeakPolarHBondContact O-CD2 3.27Å; V796-F800 PolarHBondContact O-N 3.2Å; E797-F800 PolarHBondContact O-N 2.84Å; R798-F800 VanDerWaalsContact C-N 3.33Å; R798-F800 PolarHBondContact O-N 3.29Å |
| 801 | Q | 60.6 | Low | 54.5 | Low | 137 Ų | 137 | 123 Ų | 123 | 64% | 0.64 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 175.4 | -74.2 | 178.9 | 8.1 | 0 | 0 | 112.3 | E797 R798 G803 H804 | E797-Q801 WeakPolarHBondContact O-CG 3.49Å; E797-Q801 PolarHBondContact O-N 2.6Å; R798-Q801 PolarHBondContact O-N 2.88Å; Q801-G803 VanDerWaalsContact C-N 3.28Å; Q801-G803 PolarHBondContact O-N 3.16Å; Q801-H804 PolarHBondContact O-N 3.1Å |
| 802 | D | 52.5 | Low | 52.7 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 58% | 0.583 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.3 | -29.3 | 178.8 | -75.5 | -20.4 | 0 | 0 | 0 | 112.3 | R798 H804 | R798-D802 PolarHBondContact O-N 3.25Å; D802-H804 VanDerWaalsContact C-N 3.32Å; D802-H804 PolarHBondContact O-N 3.18Å |
| 803 | G | 48 | Very low | 51 | Low | 60 Ų | 60 | 125.2 Ų | 125.2 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.9 | -23.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L799 Q801 | L799-G803 PolarHBondContact O-N 2.77Å; Q801-G803 VanDerWaalsContact C-N 3.28Å; Q801-G803 PolarHBondContact O-N 3.16Å |
| 804 | H | 42.5 | Very low | 49.5 | Very low | 162 Ų | 162 | 128 Ų | 128 | 75% | 0.75 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8.7 | -175 | -101.8 | -55.1 | 0 | 0 | 0 | 115 | Q801 D802 Q806 | Q801-H804 PolarHBondContact O-N 3.1Å; D802-H804 VanDerWaalsContact C-N 3.32Å; D802-H804 PolarHBondContact O-N 3.18Å; H804-Q806 VanDerWaalsContact C-N 3.28Å; H804-Q806 PolarHBondContact O-N 3.1Å |
| 805 | L | 42.2 | Very low | 47.5 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.4 | -178.6 | -79.5 | 162.5 | 0 | 0 | 0 | 114.6 | ||
| 806 | Q | 39.1 | Very low | 45.7 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -121.6 | 58.6 | 177 | -65.7 | -174.3 | 14.8 | 0 | 0 | 112.8 | H804 | H804-Q806 VanDerWaalsContact C-N 3.28Å; H804-Q806 PolarHBondContact O-N 3.1Å |
| 807 | S | 36.9 | Very low | 44.1 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -158.1 | 99.4 | 147 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | G809 | S807-G809 PolarHBondContact O-N 3.46Š| ||
| 808 | T | 36.6 | Very low | 42.3 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | trans | -67.9 | 115 | 165.7 | 45.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 809 | G | 33.7 | Very low | 40.4 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 87.9 | 101.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | S807 | S807-G809 PolarHBondContact O-N 3.46Š|
| 810 | G | 33.9 | Very low | 39.5 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 149.2 | 77.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 811 | K | 36.6 | Very low | 38.6 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | trans | 19.4 | 102.2 | 162.6 | -67.4 | -179.1 | 178.4 | 178.5 | 0 | 117.2 | R813 | K811-R813 PolarHBondContact O-N 3.09Š| ||
| 812 | S | 36.1 | Very low | 37.4 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -33.4 | 110.9 | 166.5 | 57 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 813 | R | 35.8 | Very low | 36.2 | Very low | 244 Ų | 244 | 145.4 Ų | 145.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -91.5 | 101.6 | 149.7 | -83.1 | -175.2 | 174.4 | 178.7 | -1.2 | 107.6 | K811 C815 | K811-R813 PolarHBondContact O-N 3.09Å; R813-C815 PolarHBondContact O-N 3.31Å; R813-C815 VanDerWaalsContact O-N 3.08Å | ||
| 814 | I | 39.5 | Very low | 35.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -66.9 | 101.3 | 168.2 | -62.2 | 168.8 | 0 | 0 | 0 | 106.3 | K816 | I814-K816 PolarHBondContact O-N 3.04Š| ||
| 815 | C | 31.4 | Very low | 35.1 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -77 | 101 | 167.3 | -104.1 | 0 | 0 | 0 | 0 | 107.8 | R813 V817 | R813-C815 PolarHBondContact O-N 3.31Å; R813-C815 VanDerWaalsContact O-N 3.08Å; C815-V817 PolarHBondContact O-N 3.17Å; C815-V817 VanDerWaalsContact O-N 3.15Å | ||
| 816 | K | 33.1 | Very low | 34.7 | Very low | 177 Ų | 177 | 155.9 Ų | 155.9 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -65.9 | 106.7 | 160.4 | -97.5 | -175.1 | 169.8 | -171.7 | 0 | 107.3 | I814 E818 | I814-K816 PolarHBondContact O-N 3.04Å; K816-E818 PolarHBondContact O-N 3.05Å | ||
| 817 | V | 31.2 | Very low | 34.5 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 66% | 0.661 | 82% | 0.819 | S | S | * | * | trans | -85 | 98.6 | 166.9 | -178.7 | 0 | 0 | 0 | 0 | 106.1 | C815 F819 | C815-V817 PolarHBondContact O-N 3.17Å; C815-V817 VanDerWaalsContact O-N 3.15Å; V817-F819 HydrophobicContact CG1-CD2 4.02Å; V817-F819 HydrophobicContact CG1-CE2 3.84Å; V817-F819 PolarHBondContact O-N 3.17Å | ||
| 818 | E | 31.9 | Very low | 34.3 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -75.6 | 110.4 | 168.3 | -79.8 | 177.4 | 174.1 | 0 | 0 | 108 | K816 | K816-E818 PolarHBondContact O-N 3.05Š| ||
| 819 | F | 30.5 | Very low | 34.2 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 77% | 0.768 | 82% | 0.82 | S | S | * | * | trans | -74.6 | 137.4 | 172 | -89.4 | -94 | 0 | 0 | 0 | 109.4 | V817 E821 | V817-F819 HydrophobicContact CG1-CD2 4.02Å; V817-F819 HydrophobicContact CG1-CE2 3.84Å; V817-F819 PolarHBondContact O-N 3.17Å; F819-E821 PolarHBondContact O-N 2.95Å | ||
| 820 | P | 40.1 | Very low | 34.2 | Very low | 110 Ų | 110 | 162.6 Ų | 162.6 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | trans | -63.7 | 126.2 | 179.8 | -14.3 | 27.1 | 0 | 0 | 0 | 110.5 | L822 | P820-L822 VanDerWaalsContact C-N 3.29Å; P820-L822 PolarHBondContact O-N 3.26Å | ||
| 821 | E | 38.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 168.2 Ų | 168.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -60.7 | 85.7 | 171.6 | -67 | 179 | 160.6 | 0 | 0 | 110.3 | F819 | F819-E821 PolarHBondContact O-N 2.95Š| ||
| 822 | L | 35 | Very low | 34.1 | Very low | 141 Ų | 141 | 165.6 Ų | 165.6 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | -90 | 136.8 | 159.7 | -77.4 | 157.3 | 0 | 0 | 0 | 106.8 | P820 | P820-L822 VanDerWaalsContact C-N 3.29Å; P820-L822 PolarHBondContact O-N 3.26Å | ||
| 823 | F | 28.6 | Very low | 33.9 | Very low | 205 Ų | 205 | 170.2 Ų | 170.2 | 90% | 0.899 | 82% | 0.819 | S | S | * | * | trans | 91.2 | 73.1 | -175.2 | -48.3 | -70.1 | 0 | 0 | 0 | 115.7 | ||||
| 824 | V | 35.4 | Very low | 33.8 | Very low | 136 Ų | 136 | 164 Ų | 164 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -90.2 | 128.2 | 143 | -179.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 825 | Y | 30.7 | Very low | 33.3 | Very low | 295 Ų | 295 | 165.3 Ų | 165.3 | 100% | 1.157 | 82% | 0.815 | S | S | * | * | trans | -55.1 | 0 | 179.6 | -102.5 | -87.4 | 0 | 0 | 0 | 114 |
Retrieved 825 of 825 residues in 593.6 ms
(Link to these results)