| 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 | 53.3 | Low | 84.5 | Confident | 181 Ų | 181 | 88.7 Ų | 88.7 | 89% | 0.892 | 48% | 0.484 | S | S | * | . | 0 | 121.8 | 0 | -115.9 | -176.7 | -149.8 | 0 | 0 | 105.5 | F3 | M1-F3 PolarHBondContact O-N 2.99Š| |||
| 2 | D | 68.9 | Low | 85.5 | Confident | 150 Ų | 150 | 81.5 Ų | 81.5 | 80% | 0.802 | 45% | 0.445 | S | S | * | . | trans | -71.5 | 125.8 | -177.6 | -64.3 | -21 | 0 | 0 | 0 | 109 | I4 | D2-I4 PolarHBondContact O-N 2.73Š| ||
| 3 | F | 82.4 | Confident | 86.4 | Confident | 38 Ų | 38 | 75.5 Ų | 75.5 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | trans | -72.1 | 120.5 | 177.1 | 179.6 | -92.7 | 0 | 0 | 0 | 109.3 | M1 V5 I31 P153 I154 H157 | M1-F3 PolarHBondContact O-N 2.99Å; F3-V5 HydrophobicContact CD1-CG2 4.3Å; F3-V5 HydrophobicContact CE1-CG2 3.94Å; F3-I31 HydrophobicContact CD1-CB 4.11Å; F3-I31 HydrophobicContact CD1-CG2 4.17Å; F3-I31 WeakPolarHBondContact CD1-O 3.34Å; F3-I31 HydrophobicContact CE1-CB 3.59Å; F3-I31 HydrophobicContact CE1-CG2 3.34Å; F3-I31 HydrophobicContact CZ-CB 4.42Å; F3-I31 HydrophobicContact CZ-CG2 3.69Å; F3-P153 WeakPolarHBondContact CE2-O 3.46Å; F3-P153 HydrophobicContact CZ-CB 3.81Å; F3-P153 HydrophobicContact CZ-CG 4.17Å; F3-I154 HydrophobicContact CE2-CB 4.46Å; F3-I154 HydrophobicContact CE2-CG1 4.04Å; F3-I154 HydrophobicContact CZ-CG1 4.02Å; F3-H157 HydrophobicContact CD2-CB 3.79Å; F3-H157 AromaticContact CD2-CD2 3.94Å; F3-H157 AromaticContact CD2-CG 3.68Å; F3-H157 HydrophobicContact CE2-CB 3.57Å | ||
| 4 | I | 83.8 | Confident | 87.1 | Confident | 138 Ų | 138 | 73.6 Ų | 73.6 | 71% | 0.708 | 40% | 0.401 | S | S | * | . | trans | -104.7 | 118.7 | 178.9 | -55.7 | 177.4 | 0 | 0 | 0 | 108.8 | D2 | D2-I4 PolarHBondContact O-N 2.73Š| ||
| 5 | V | 88.6 | Confident | 87.7 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 126.7 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 109 | F3 Y9 I31 | F3-V5 HydrophobicContact CD1-CG2 4.3Å; F3-V5 HydrophobicContact CE1-CG2 3.94Å; V5-Y9 HydrophobicContact CG1-CD1 3.65Å; V5-Y9 HydrophobicContact CG1-CG 3.94Å; V5-I31 HydrophobicContact CG1-CD1 4.27Å; V5-I31 HydrophobicContact CG2-CB 4.2Å; V5-I31 HydrophobicContact CG2-CD1 3.98Å; V5-I31 HydrophobicContact CG2-CG1 4.29Å |
| 6 | P | 90.2 | Very high | 88.4 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 144.2 | 178 | -23.7 | 32.6 | 0 | 0 | 0 | 112.8 | G8 Y9 P153 M156 S192 | P6-G8 PolarHBondContact O-N 2.9Å; P6-Y9 WeakPolarHBondContact O-CB 3.46Å; P6-Y9 PolarHBondContact O-N 3.34Å; P6-Y9 VanDerWaalsContact O-N 3.1Å; P6-P153 HydrophobicContact CG-CB 3.97Å; P6-M156 HydrophobicContact CG-CE 3.74Å; P6-S192 VanDerWaalsContact CB-O 3.26Å; P6-S192 WeakPolarHBondContact CB-O 3.16Å |
| 7 | N | 87.8 | Confident | 88.9 | Confident | 160 Ų | 160 | 65.8 Ų | 65.8 | 86% | 0.856 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 135 | 172.9 | -73.9 | -21.3 | 0 | 0 | 0 | 110.5 | Y9 | N7-Y9 PolarHBondContact O-N 2.88Š|
| 8 | G | 88.6 | Confident | 89.3 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P6 W10 T11 A12 | P6-G8 PolarHBondContact O-N 2.9Å; G8-W10 VanDerWaalsContact C-N 3.34Å; G8-W10 PolarHBondContact O-N 3.45Å; G8-T11 PolarHBondContact O-N 3.27Å; G8-A12 PolarHBondContact O-N 3.39Å; G8-A12 VanDerWaalsContact O-N 3.1Å |
| 9 | Y | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -53.6 | -47.7 | -178.9 | 175.1 | -106.2 | 0 | 0 | 0 | 112.6 | V5 P6 N7 T11 A12 F13 I31 H150 P153 L188 S192 | V5-Y9 HydrophobicContact CG1-CD1 3.65Å; V5-Y9 HydrophobicContact CG1-CG 3.94Å; P6-Y9 WeakPolarHBondContact O-CB 3.46Å; P6-Y9 PolarHBondContact O-N 3.34Å; P6-Y9 VanDerWaalsContact O-N 3.1Å; N7-Y9 PolarHBondContact O-N 2.88Å; Y9-T11 PolarHBondContact O-N 3.38Å; Y9-A12 WeakPolarHBondContact O-CB 3.38Å; Y9-A12 PolarHBondContact O-N 3.32Å; Y9-F13 HydrophobicContact CE1-CB 4.14Å; Y9-F13 HydrophobicContact CE1-CG 4.38Å; Y9-F13 HydrophobicContact CE2-CB 4.44Å; Y9-F13 VanDerWaalsContact O-CB 3.28Å; Y9-F13 WeakPolarHBondContact O-CB 3.26Å; Y9-F13 PolarHBondContact O-N 3.47Å; Y9-F13 WeakPolarHBondContact OH-CD2 3.45Å; Y9-I31 HydrophobicContact CD1-CD1 3.82Å; Y9-I31 HydrophobicContact CE1-CD1 3.38Å; Y9-H150 AromaticContact CE1-ND1 3.71Å; Y9-H150 AromaticContact CZ-ND1 3.69Å; Y9-H150 PolarHBondContact OH-ND1 3.29Å; Y9-P153 HydrophobicContact CD2-CB 4.37Å; Y9-P153 HydrophobicContact CD2-CG 4Å; Y9-P153 HydrophobicContact CE1-CG 4.16Å; Y9-P153 HydrophobicContact CE2-CB 4.41Å; Y9-P153 HydrophobicContact CE2-CG 3.61Å; Y9-P153 HydrophobicContact CG-CG 4.46Å; Y9-L188 HydrophobicContact CD2-CD1 4.34Å; Y9-L188 HydrophobicContact CE2-CD1 3.97Å; Y9-S192 WeakPolarHBondContact CD2-OG 3.43Å |
| 10 | W | 95 | Very high | 90 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 30% | 0.295 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | -176.1 | -70.2 | 122.8 | 0 | 0 | 0 | 113.2 | G8 F13 I14 L27 E28 I31 H150 | G8-W10 VanDerWaalsContact C-N 3.34Å; G8-W10 PolarHBondContact O-N 3.45Å; W10-F13 HydrophobicContact CE3-CB 4.42Å; W10-F13 AromaticContact CE3-CD1 3.99Å; W10-F13 HydrophobicContact CE3-CD1 3.99Å; W10-F13 HydrophobicContact CE3-CG 4.43Å; W10-F13 HydrophobicContact CZ3-CD1 4.02Å; W10-F13 HydrophobicContact CZ3-CE1 4.34Å; W10-F13 PolarHBondContact O-N 3.38Å; W10-I14 WeakPolarHBondContact O-CD1 3.47Å; W10-I14 VanDerWaalsContact O-CG1 3.25Å; W10-I14 WeakPolarHBondContact O-CG1 3.23Å; W10-I14 PolarHBondContact O-N 2.9Å; W10-L27 HydrophobicContact CD2-CD2 4.41Å; W10-L27 HydrophobicContact CE3-CD2 3.55Å; W10-L27 HydrophobicContact CZ3-CB 4.29Å; W10-L27 HydrophobicContact CZ3-CD2 3.8Å; W10-E28 HydrophobicContact CH2-CB 4.37Å; W10-E28 WeakPolarHBondContact CH2-O 3.49Å; W10-E28 VanDerWaalsContact CZ2-O 3.28Å; W10-E28 WeakPolarHBondContact CZ2-O 3.43Å; W10-I31 HydrophobicContact CH2-CD1 3.59Å; W10-I31 HydrophobicContact CH2-CG1 3.88Å; W10-I31 HydrophobicContact CZ2-CD1 3.59Å; W10-I31 HydrophobicContact CZ2-CG1 3.9Å; W10-I31 HydrophobicContact CZ3-CD1 4.3Å; W10-H150 AromaticContact CH2-CE1 3.98Å; W10-H150 AromaticContact CZ3-CE1 3.64Å |
| 11 | T | 95.3 | Very high | 90.2 | Very high | 106 Ų | 106 | 69.1 Ų | 69.1 | 65% | 0.65 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 174.3 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | G8 Y9 I14 Q15 | G8-T11 PolarHBondContact O-N 3.27Å; Y9-T11 PolarHBondContact O-N 3.38Å; T11-I14 PolarHBondContact O-N 3.45Å; T11-Q15 PolarHBondContact O-N 2.84Å |
| 12 | A | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 2% | 0.017 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G8 Y9 Q15 F16 L188 Q191 | G8-A12 PolarHBondContact O-N 3.39Å; G8-A12 VanDerWaalsContact O-N 3.1Å; Y9-A12 WeakPolarHBondContact O-CB 3.38Å; Y9-A12 PolarHBondContact O-N 3.32Å; A12-Q15 PolarHBondContact O-N 3.49Å; A12-F16 WeakPolarHBondContact O-CB 3.23Å; A12-F16 PolarHBondContact O-N 2.94Å; A12-L188 HydrophobicContact CB-CD1 3.66Å; A12-Q191 HydrophobicContact CB-CB 3.46Å; A12-Q191 VanDerWaalsContact CB-CB 3.46Å; A12-Q191 HydrophobicContact CB-CG 4.41Å |
| 13 | F | 97.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 179.5 | 177.9 | -104.6 | 0 | 0 | 0 | 112 | Y9 W10 Q15 F16 A17 P25 L27 L148 H150 L188 | Y9-F13 HydrophobicContact CE1-CB 4.14Å; Y9-F13 HydrophobicContact CE1-CG 4.38Å; Y9-F13 HydrophobicContact CE2-CB 4.44Å; Y9-F13 VanDerWaalsContact O-CB 3.28Å; Y9-F13 WeakPolarHBondContact O-CB 3.26Å; Y9-F13 PolarHBondContact O-N 3.47Å; Y9-F13 WeakPolarHBondContact OH-CD2 3.45Å; W10-F13 HydrophobicContact CE3-CB 4.42Å; W10-F13 AromaticContact CE3-CD1 3.99Å; W10-F13 HydrophobicContact CE3-CD1 3.99Å; W10-F13 HydrophobicContact CE3-CG 4.43Å; W10-F13 HydrophobicContact CZ3-CD1 4.02Å; W10-F13 HydrophobicContact CZ3-CE1 4.34Å; W10-F13 PolarHBondContact O-N 3.38Å; F13-Q15 VanDerWaalsContact C-N 3.3Å; F13-Q15 PolarHBondContact O-N 2.82Å; F13-F16 HydrophobicContact CD2-CD1 4.23Å; F13-F16 HydrophobicContact CE2-CD1 4.37Å; F13-F16 PolarHBondContact O-N 3.14Å; F13-A17 WeakPolarHBondContact O-CB 3.46Å; F13-A17 PolarHBondContact O-N 2.85Å; F13-P25 HydrophobicContact CD1-CB 4.47Å; F13-P25 HydrophobicContact CE1-CB 3.81Å; F13-P25 HydrophobicContact CZ-CB 4.47Å; F13-L27 HydrophobicContact CD1-CD2 4.07Å; F13-L27 HydrophobicContact CE1-CD2 4.35Å; F13-L148 HydrophobicContact CE2-CD2 4.33Å; F13-L148 HydrophobicContact CZ-CD2 4.28Å; F13-H150 AromaticContact CD2-ND1 3.95Å; F13-H150 AromaticContact CE1-CE1 3.66Å; F13-H150 AromaticContact CE2-CE1 3.55Å; F13-H150 AromaticContact CE2-ND1 3.64Å; F13-H150 AromaticContact CZ-CE1 3.32Å; F13-H150 WeakPolarHBondContact CZ-CE1 3.22Å; F13-H150 AromaticContact CZ-ND1 3.92Å; F13-L188 HydrophobicContact CB-CD1 4.31Å |
| 14 | I | 96.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 176.3 | -69 | 163.6 | 0 | 0 | 0 | 110.4 | W10 T11 A17 R18 P25 L27 | W10-I14 WeakPolarHBondContact O-CD1 3.47Å; W10-I14 VanDerWaalsContact O-CG1 3.25Å; W10-I14 WeakPolarHBondContact O-CG1 3.23Å; W10-I14 PolarHBondContact O-N 2.9Å; T11-I14 PolarHBondContact O-N 3.45Å; I14-A17 PolarHBondContact O-N 2.63Å; I14-R18 WeakPolarHBondContact O-CG 3.2Å; I14-R18 PolarHBondContact O-N 2.79Å; I14-R18 VanDerWaalsContact O-N 3.11Å; I14-P25 HydrophobicContact CB-CG 4.49Å; I14-P25 HydrophobicContact CG1-CG 4.16Å; I14-L27 HydrophobicContact CD1-CD1 4.37Å; I14-L27 HydrophobicContact CD1-CD2 4.24Å; I14-L27 HydrophobicContact CG1-CD2 3.99Å |
| 15 | Q | 96.2 | Very high | 93.7 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 176.4 | -173.8 | 176.1 | 9.7 | 0 | 0 | 111.7 | T11 A12 F13 R18 N19 | T11-Q15 PolarHBondContact O-N 2.84Å; A12-Q15 PolarHBondContact O-N 3.49Å; F13-Q15 VanDerWaalsContact C-N 3.3Å; F13-Q15 PolarHBondContact O-N 2.82Å; Q15-R18 PolarHBondContact O-N 2.85Å; Q15-N19 PolarHBondContact O-N 3.36Å; Q15-N19 PolarHBondContact O-ND2 2.86Å |
| 16 | F | 97.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 1% | 0.013 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.9 | -50.3 | 174.7 | 161.2 | -100.9 | 0 | 0 | 0 | 111.8 | A12 F13 R18 N19 V20 N144 A147 L148 H184 V185 L188 | A12-F16 WeakPolarHBondContact O-CB 3.23Å; A12-F16 PolarHBondContact O-N 2.94Å; F13-F16 HydrophobicContact CD2-CD1 4.23Å; F13-F16 HydrophobicContact CE2-CD1 4.37Å; F13-F16 PolarHBondContact O-N 3.14Å; F16-R18 VanDerWaalsContact C-N 3.32Å; F16-R18 PolarHBondContact O-N 3.47Å; F16-N19 WeakPolarHBondContact O-CB 3.27Å; F16-N19 PolarHBondContact O-N 3.3Å; F16-N19 VanDerWaalsContact O-N 3.09Å; F16-V20 HydrophobicContact CD2-CG1 4.21Å; F16-V20 HydrophobicContact CE1-CG2 4.33Å; F16-V20 HydrophobicContact CE2-CG1 3.65Å; F16-V20 HydrophobicContact CZ-CG1 4Å; F16-V20 HydrophobicContact CZ-CG2 4.14Å; F16-V20 PolarHBondContact O-N 3.17Å; F16-N144 HydrophobicContact CZ-CB 4.36Å; F16-A147 HydrophobicContact CE1-CB 3.71Å; F16-A147 HydrophobicContact CE2-CB 4.09Å; F16-A147 HydrophobicContact CZ-CB 3.44Å; F16-A147 VanDerWaalsContact CZ-CB 3.44Å; F16-L148 HydrophobicContact CD1-CD2 4.41Å; F16-L148 HydrophobicContact CE1-CD2 3.75Å; F16-L148 HydrophobicContact CE1-CG 3.84Å; F16-L148 HydrophobicContact CZ-CG 4.36Å; F16-H184 HydrophobicContact CD2-CB 3.89Å; F16-H184 HydrophobicContact CE2-CB 4.11Å; F16-V185 HydrophobicContact CE2-CG2 3.72Å; F16-V185 HydrophobicContact CZ-CG2 4.33Å; F16-L188 HydrophobicContact CB-CB 4.12Å; F16-L188 HydrophobicContact CB-CD1 4.34Å; F16-L188 HydrophobicContact CB-CD2 4.17Å; F16-L188 HydrophobicContact CB-CG 4.45Å; F16-L188 HydrophobicContact CD1-CD2 3.92Å; F16-L188 HydrophobicContact CD2-CB 4.45Å; F16-L188 HydrophobicContact CD2-CD2 4.35Å; F16-L188 HydrophobicContact CE1-CD2 4.47Å; F16-L188 HydrophobicContact CG-CB 4.34Å; F16-L188 HydrophobicContact CG-CD2 3.86Å |
| 17 | A | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -44.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F13 I14 N19 V20 G21 I22 P25 L148 | F13-A17 WeakPolarHBondContact O-CB 3.46Å; F13-A17 PolarHBondContact O-N 2.85Å; I14-A17 PolarHBondContact O-N 2.63Å; A17-N19 PolarHBondContact O-N 3.45Å; A17-V20 CarbonylContact O-C 3.4Å; A17-V20 VanDerWaalsContact O-CG2 3.25Å; A17-V20 WeakPolarHBondContact O-CG2 3.2Å; A17-V20 PolarHBondContact O-N 2.85Å; A17-G21 PolarHBondContact O-N 3.48Å; A17-I22 CarbonylContact C-O 3.41Å; A17-I22 HydrophobicContact CB-CB 4.19Å; A17-I22 HydrophobicContact CB-CG2 4.46Å; A17-I22 WeakPolarHBondContact O-CB 3.15Å; A17-I22 PolarHBondContact O-N 3.35Å; A17-P25 HydrophobicContact CB-CB 3.52Å; A17-P25 HydrophobicContact CB-CG 3.69Å; A17-L148 HydrophobicContact CB-CD2 4.34Å |
| 18 | R | 96.7 | Very high | 93.1 | Very high | 158 Ų | 158 | 63.9 Ų | 63.9 | 60% | 0.596 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 174.8 | -72.2 | 174 | 177.1 | 172.5 | -0.2 | 112.1 | I14 Q15 F16 V20 G21 I22 | I14-R18 WeakPolarHBondContact O-CG 3.2Å; I14-R18 PolarHBondContact O-N 2.79Å; I14-R18 VanDerWaalsContact O-N 3.11Å; Q15-R18 PolarHBondContact O-N 2.85Å; F16-R18 VanDerWaalsContact C-N 3.32Å; F16-R18 PolarHBondContact O-N 3.47Å; R18-V20 PolarHBondContact O-N 2.87Å; R18-G21 PolarHBondContact O-N 3.42Å; R18-I22 WeakPolarHBondContact CA-O 3.02Å; R18-I22 PolarHBondContact N-O 3.24Å |
| 19 | N | 95.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 69 Ų | 69 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -26 | 177.7 | -70.8 | -20.7 | 0 | 0 | 0 | 113.1 | Q15 F16 A17 | Q15-N19 PolarHBondContact O-N 3.36Å; Q15-N19 PolarHBondContact O-ND2 2.86Å; F16-N19 WeakPolarHBondContact O-CB 3.27Å; F16-N19 PolarHBondContact O-N 3.3Å; F16-N19 VanDerWaalsContact O-N 3.09Å; A17-N19 PolarHBondContact O-N 3.45Å |
| 20 | V | 95.7 | Very high | 92 | Very high | 39 Ų | 39 | 75.1 Ų | 75.1 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 12.2 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | F16 A17 R18 I22 N144 L148 H184 | F16-V20 HydrophobicContact CD2-CG1 4.21Å; F16-V20 HydrophobicContact CE1-CG2 4.33Å; F16-V20 HydrophobicContact CE2-CG1 3.65Å; F16-V20 HydrophobicContact CZ-CG1 4Å; F16-V20 HydrophobicContact CZ-CG2 4.14Å; F16-V20 PolarHBondContact O-N 3.17Å; A17-V20 CarbonylContact O-C 3.4Å; A17-V20 VanDerWaalsContact O-CG2 3.25Å; A17-V20 WeakPolarHBondContact O-CG2 3.2Å; A17-V20 PolarHBondContact O-N 2.85Å; R18-V20 PolarHBondContact O-N 2.87Å; V20-I22 HydrophobicContact CG2-CD1 4.41Å; V20-N144 HydrophobicContact CG1-CB 4.47Å; V20-L148 HydrophobicContact CG2-CD2 4.48Å; V20-H184 HydrophobicContact CG1-CB 4.33Å |
| 21 | G | 95.4 | Very high | 91.6 | Very high | 65 Ų | 65 | 71.9 Ų | 71.9 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | 16.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A17 R18 | A17-G21 PolarHBondContact O-N 3.48Å; R18-G21 PolarHBondContact O-N 3.42Å |
| 22 | I | 93.9 | Very high | 91 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | trans | -107.6 | 105 | 177.4 | -61.1 | 170.1 | 0 | 0 | 0 | 109.3 | A17 R18 V20 P25 L148 | A17-I22 CarbonylContact C-O 3.41Å; A17-I22 HydrophobicContact CB-CB 4.19Å; A17-I22 HydrophobicContact CB-CG2 4.46Å; A17-I22 WeakPolarHBondContact O-CB 3.15Å; A17-I22 PolarHBondContact O-N 3.35Å; R18-I22 WeakPolarHBondContact CA-O 3.02Å; R18-I22 PolarHBondContact N-O 3.24Å; V20-I22 HydrophobicContact CG2-CD1 4.41Å; I22-P25 HydrophobicContact CG2-CB 4.19Å; I22-L148 HydrophobicContact CD1-CD1 3.41Å; I22-L148 VanDerWaalsContact CD1-CD1 3.41Å; I22-L148 HydrophobicContact CD1-CD2 3.52Å; I22-L148 HydrophobicContact CD1-CG 4.12Å | ||
| 23 | E | 89.3 | Confident | 90.2 | Very high | 147 Ų | 147 | 68.5 Ų | 68.5 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -69.6 | -40.1 | -176.7 | -67.7 | -170.5 | 157.5 | 0 | 0 | 113.2 | P25 | E23-P25 WeakPolarHBondContact O-CD 3.26Š|
| 24 | H | 88.9 | Confident | 89.3 | Confident | 167 Ų | 167 | 72 Ų | 72 | 77% | 0.773 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -122.6 | 74.3 | -176.5 | -61.2 | -58.2 | 0 | 0 | 0 | 110.6 | R26 | H24-R26 PolarHBondContact O-N 2.8Š|
| 25 | P | 89 | Confident | 88.7 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.9 | 177 | 25.1 | -32.9 | 0 | 0 | 0 | 110.6 | F13 I14 A17 I22 E23 L27 | F13-P25 HydrophobicContact CD1-CB 4.47Å; F13-P25 HydrophobicContact CE1-CB 3.81Å; F13-P25 HydrophobicContact CZ-CB 4.47Å; I14-P25 HydrophobicContact CB-CG 4.49Å; I14-P25 HydrophobicContact CG1-CG 4.16Å; A17-P25 HydrophobicContact CB-CB 3.52Å; A17-P25 HydrophobicContact CB-CG 3.69Å; I22-P25 HydrophobicContact CG2-CB 4.19Å; E23-P25 WeakPolarHBondContact O-CD 3.26Å; P25-L27 PolarHBondContact O-N 3.17Å |
| 26 | R | 84.4 | Confident | 88.1 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 125.3 | 170.6 | -177.2 | 176.6 | 170.7 | -154.7 | -18.3 | 108.4 | H24 E28 D40 | H24-R26 PolarHBondContact O-N 2.8Å; R26-E28 WeakPolarHBondContact CD-OE1 3.49Å; R26-E28 IonicContact CZ-OE1 2.9Å; R26-E28 IonicContact CZ-OE2 3.43Å; R26-E28 VanDerWaalsContact CZ-OE2 3.22Å; R26-E28 IonicContact NE-OE1 3.22Å; R26-E28 PolarHBondContact NE-OE1 2.87Å; R26-E28 IonicContact NE-OE2 2.96Å; R26-E28 PolarHBondContact NE-OE2 3.32Å; R26-E28 IonicContact NH1-OE1 2.78Å; R26-E28 PolarHBondContact NH1-OE1 2.84Å; R26-E28 IonicContact NH2-OE1 2.86Å; R26-E28 PolarHBondContact NH2-OE1 3.4Å; R26-E28 IonicContact NH2-OE2 2.85Å; R26-E28 PolarHBondContact NH2-OE2 2.94Å; R26-D40 IonicContact NH1-OD1 3.33Å; R26-D40 PolarHBondContact NH1-OD1 3.05Å |
| 27 | L | 87.3 | Confident | 87.5 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 117.3 | 170.6 | -55.6 | 179.6 | 0 | 0 | 0 | 107.4 | W10 F13 I14 P25 | W10-L27 HydrophobicContact CD2-CD2 4.41Å; W10-L27 HydrophobicContact CE3-CD2 3.55Å; W10-L27 HydrophobicContact CZ3-CB 4.29Å; W10-L27 HydrophobicContact CZ3-CD2 3.8Å; F13-L27 HydrophobicContact CD1-CD2 4.07Å; F13-L27 HydrophobicContact CE1-CD2 4.35Å; I14-L27 HydrophobicContact CD1-CD1 4.37Å; I14-L27 HydrophobicContact CD1-CD2 4.24Å; I14-L27 HydrophobicContact CG1-CD2 3.99Å; P25-L27 PolarHBondContact O-N 3.17Å |
| 28 | E | 83.1 | Confident | 86.9 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 22% | 0.22 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 146.8 | 176.2 | -59.9 | -59.8 | 162.5 | 0 | 0 | 110.7 | W10 R26 E30 | W10-E28 HydrophobicContact CH2-CB 4.37Å; W10-E28 WeakPolarHBondContact CH2-O 3.49Å; W10-E28 VanDerWaalsContact CZ2-O 3.28Å; W10-E28 WeakPolarHBondContact CZ2-O 3.43Å; R26-E28 WeakPolarHBondContact CD-OE1 3.49Å; R26-E28 IonicContact CZ-OE1 2.9Å; R26-E28 IonicContact CZ-OE2 3.43Å; R26-E28 VanDerWaalsContact CZ-OE2 3.22Å; R26-E28 IonicContact NE-OE1 3.22Å; R26-E28 PolarHBondContact NE-OE1 2.87Å; R26-E28 IonicContact NE-OE2 2.96Å; R26-E28 PolarHBondContact NE-OE2 3.32Å; R26-E28 IonicContact NH1-OE1 2.78Å; R26-E28 PolarHBondContact NH1-OE1 2.84Å; R26-E28 IonicContact NH2-OE1 2.86Å; R26-E28 PolarHBondContact NH2-OE1 3.4Å; R26-E28 IonicContact NH2-OE2 2.85Å; R26-E28 PolarHBondContact NH2-OE2 2.94Å; E28-E30 VanDerWaalsContact C-N 3.29Å |
| 29 | T | 77.4 | Confident | 86.4 | Confident | 151 Ų | 151 | 78 Ų | 78 | 93% | 0.926 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -72.8 | -26.5 | 175 | 48 | 0 | 0 | 0 | 0 | 112.2 | ||
| 30 | E | 83.6 | Confident | 86 | Confident | 130 Ų | 130 | 76.6 Ų | 76.6 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | trans | -139.3 | 132.6 | -179.5 | -170.8 | -179.2 | 173 | 0 | 0 | 109.3 | E28 A33 | E28-E30 VanDerWaalsContact C-N 3.29Å; E30-A33 HydrophobicContact CG-CB 4.43Å | ||
| 31 | I | 86 | Confident | 85.7 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 5% | 0.046 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -108.9 | 142.2 | 170.3 | -60.1 | 179.7 | 0 | 0 | 0 | 107.4 | F3 V5 Y9 W10 H150 P153 I154 | F3-I31 HydrophobicContact CD1-CB 4.11Å; F3-I31 HydrophobicContact CD1-CG2 4.17Å; F3-I31 WeakPolarHBondContact CD1-O 3.34Å; F3-I31 HydrophobicContact CE1-CB 3.59Å; F3-I31 HydrophobicContact CE1-CG2 3.34Å; F3-I31 HydrophobicContact CZ-CB 4.42Å; F3-I31 HydrophobicContact CZ-CG2 3.69Å; V5-I31 HydrophobicContact CG1-CD1 4.27Å; V5-I31 HydrophobicContact CG2-CB 4.2Å; V5-I31 HydrophobicContact CG2-CD1 3.98Å; V5-I31 HydrophobicContact CG2-CG1 4.29Å; Y9-I31 HydrophobicContact CD1-CD1 3.82Å; Y9-I31 HydrophobicContact CE1-CD1 3.38Å; W10-I31 HydrophobicContact CH2-CD1 3.59Å; W10-I31 HydrophobicContact CH2-CG1 3.88Å; W10-I31 HydrophobicContact CZ2-CD1 3.59Å; W10-I31 HydrophobicContact CZ2-CG1 3.9Å; W10-I31 HydrophobicContact CZ3-CD1 4.3Å; I31-H150 HydrophobicContact CD1-CB 4.18Å; I31-H150 HydrophobicContact CG1-CB 4.39Å; I31-H150 HydrophobicContact CG2-CB 3.71Å; I31-P153 HydrophobicContact CG2-CG 4.42Å; I31-I154 HydrophobicContact CG2-CD1 4.13Å; I31-I154 HydrophobicContact CG2-CG1 3.99Å |
| 32 | G | 81.5 | Confident | 85.5 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 78.4 | 23 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T34 L118 | G32-T34 PolarHBondContact O-N 3.27Å; G32-L118 WeakPolarHBondContact O-CD1 3.49Å |
| 33 | A | 81.1 | Confident | 85.4 | Confident | 29 Ų | 29 | 77.2 Ų | 77.2 | 24% | 0.24 | 41% | 0.408 | C | S | . | . | trans | -54.3 | 132.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E30 K35 | E30-A33 HydrophobicContact CG-CB 4.43Å; A33-K35 PolarHBondContact O-N 2.83Å | ||
| 34 | T | 78.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -81.3 | 5 | -175 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | G32 Q74 | G32-T34 PolarHBondContact O-N 3.27Å; T34-Q74 HydrophobicContact CG2-CG 4.13Å; T34-Q74 PolarHBondContact O-N 3.01Å |
| 35 | K | 83.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -142.5 | 143.3 | 172.5 | -174.9 | -169.6 | 168.9 | -166.7 | 0 | 107.2 | A33 D38 M73 | A33-K35 PolarHBondContact O-N 2.83Å; K35-D38 IonicContact NZ-OD1 3.94Å; K35-M73 HydrophobicContact CG-CB 4.48Å |
| 36 | L | 83.8 | Confident | 86 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | trans | -65.3 | 140.2 | 172.9 | -147.2 | 73 | 0 | 0 | 0 | 110.5 | D40 L69 P111 | L36-D40 HydrophobicContact CD2-CB 4.24Å; L36-D40 HydrophobicContact CG-CB 4.06Å; L36-L69 HydrophobicContact CD2-CD1 3.59Å; L36-P111 HydrophobicContact CD1-CB 4.27Å; L36-P111 VanDerWaalsContact CD1-O 3.24Å; L36-P111 WeakPolarHBondContact CD1-O 3.42Å | ||
| 37 | S | 84.8 | Confident | 86.3 | Confident | 47 Ų | 47 | 71.4 Ų | 71.4 | 33% | 0.329 | 38% | 0.379 | S | S | . | . | trans | -65.3 | 152 | 176.6 | 82.6 | 0 | 0 | 0 | 0 | 110.6 | K39 D40 T41 | S37-K39 PolarHBondContact O-N 3.46Å; S37-D40 PolarHBondContact O-N 2.91Å; S37-D40 WeakPolarHBondContact OG-CB 3.24Å; S37-D40 PolarHBondContact OG-N 3.31Å; S37-D40 PolarHBondContact OG-OD2 3.24Å; S37-T41 WeakPolarHBondContact O-CB 3.2Å; S37-T41 PolarHBondContact O-N 3.48Å; S37-T41 PolarHBondContact O-OG1 2.93Å | ||
| 38 | D | 85.2 | Confident | 86.5 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.1 | -35.1 | 177.8 | -65.9 | -22.9 | 0 | 0 | 0 | 110.8 | K35 T41 V42 | K35-D38 IonicContact NZ-OD1 3.94Å; D38-T41 PolarHBondContact O-N 2.91Å; D38-V42 WeakPolarHBondContact O-CB 3.35Å; D38-V42 VanDerWaalsContact O-CG2 3.27Å; D38-V42 WeakPolarHBondContact O-CG2 3.27Å; D38-V42 PolarHBondContact O-N 3.41Å |
| 39 | K | 86.3 | Confident | 86.8 | Confident | 128 Ų | 128 | 70.9 Ų | 70.9 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.2 | -46.8 | 175.5 | -179.3 | 177 | 173.1 | -175.2 | 0 | 111.8 | S37 T41 V42 A43 | S37-K39 PolarHBondContact O-N 3.46Å; K39-T41 VanDerWaalsContact C-N 3.35Å; K39-V42 PolarHBondContact O-N 3.15Å; K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 3.28Å |
| 40 | D | 86.3 | Confident | 87.2 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.1 | -34 | -178.9 | -55.9 | -34.9 | 0 | 0 | 0 | 111 | R26 L36 S37 A43 L44 | R26-D40 IonicContact NH1-OD1 3.33Å; R26-D40 PolarHBondContact NH1-OD1 3.05Å; L36-D40 HydrophobicContact CD2-CB 4.24Å; L36-D40 HydrophobicContact CG-CB 4.06Å; S37-D40 PolarHBondContact O-N 2.91Å; S37-D40 WeakPolarHBondContact OG-CB 3.24Å; S37-D40 PolarHBondContact OG-N 3.31Å; S37-D40 PolarHBondContact OG-OD2 3.24Å; D40-A43 PolarHBondContact O-N 2.89Å; D40-L44 VanDerWaalsContact O-CB 3.32Å; D40-L44 WeakPolarHBondContact O-CB 3.42Å; D40-L44 PolarHBondContact O-N 2.87Å |
| 41 | T | 90 | Very high | 87.2 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 172.4 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | S37 D38 K39 L44 R45 L69 | S37-T41 WeakPolarHBondContact O-CB 3.2Å; S37-T41 PolarHBondContact O-N 3.48Å; S37-T41 PolarHBondContact O-OG1 2.93Å; D38-T41 PolarHBondContact O-N 2.91Å; K39-T41 VanDerWaalsContact C-N 3.35Å; T41-L44 PolarHBondContact O-N 3.28Å; T41-R45 WeakPolarHBondContact O-CG 3.26Å; T41-R45 PolarHBondContact O-N 2.94Å; T41-L69 HydrophobicContact CG2-CD1 4.11Å; T41-L69 HydrophobicContact CG2-CD2 4.2Å; T41-L69 HydrophobicContact CG2-CG 4.34Å |
| 42 | V | 91.8 | Very high | 86.7 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 59% | 0.588 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 178.1 | 170 | 0 | 0 | 0 | 0 | 110.9 | D38 K39 L44 R45 K46 | D38-V42 WeakPolarHBondContact O-CB 3.35Å; D38-V42 VanDerWaalsContact O-CG2 3.27Å; D38-V42 WeakPolarHBondContact O-CG2 3.27Å; D38-V42 PolarHBondContact O-N 3.41Å; K39-V42 PolarHBondContact O-N 3.15Å; V42-L44 PolarHBondContact O-N 3.46Å; V42-R45 PolarHBondContact O-N 3.47Å; V42-K46 WeakPolarHBondContact O-CB 3.47Å; V42-K46 PolarHBondContact O-N 3.03Å |
| 43 | A | 91.3 | Very high | 86 | Confident | 57 Ų | 57 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K39 D40 K46 S47 | K39-A43 WeakPolarHBondContact O-CB 3.48Å; K39-A43 PolarHBondContact O-N 3.28Å; D40-A43 PolarHBondContact O-N 2.89Å; A43-K46 PolarHBondContact O-N 2.84Å; A43-S47 PolarHBondContact O-N 3.49Å |
| 44 | L | 93.3 | Very high | 85.2 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.047 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 179.4 | -177.8 | 56.4 | 0 | 0 | 0 | 111.9 | D40 T41 V42 K46 S47 L48 V65 L69 M107 A109 L112 | D40-L44 VanDerWaalsContact O-CB 3.32Å; D40-L44 WeakPolarHBondContact O-CB 3.42Å; D40-L44 PolarHBondContact O-N 2.87Å; T41-L44 PolarHBondContact O-N 3.28Å; V42-L44 PolarHBondContact O-N 3.46Å; L44-K46 PolarHBondContact O-N 3.41Å; L44-S47 WeakPolarHBondContact O-CB 3.34Å; L44-S47 PolarHBondContact O-N 3.05Å; L44-S47 VanDerWaalsContact O-N 3.11Å; L44-L48 HydrophobicContact CD1-CD1 4.18Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 3.89Å; L44-L48 HydrophobicContact CG-CG 4.49Å; L44-L48 WeakPolarHBondContact O-CD1 3.35Å; L44-L48 VanDerWaalsContact O-CG 3.32Å; L44-L48 WeakPolarHBondContact O-CG 3.34Å; L44-L48 PolarHBondContact O-N 2.85Å; L44-V65 HydrophobicContact CD1-CG1 4.36Å; L44-V65 HydrophobicContact CD2-CG1 4.17Å; L44-L69 HydrophobicContact CD2-CD1 4.25Å; L44-L69 HydrophobicContact CD2-CD2 4.21Å; L44-L69 HydrophobicContact CG-CD2 4.38Å; L44-M107 VanDerWaalsContact CD1-O 3.28Å; L44-M107 WeakPolarHBondContact CD1-O 3.39Å; L44-A109 HydrophobicContact CD1-CB 4.09Å; L44-L112 HydrophobicContact CD2-CB 4.09Å; L44-L112 HydrophobicContact CD2-CD2 4.17Å |
| 45 | R | 93.3 | Very high | 85 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 174.7 | -75.2 | -178.2 | 180 | 170.1 | 0.2 | 111.9 | T41 V42 S47 L48 D49 L69 | T41-R45 WeakPolarHBondContact O-CG 3.26Å; T41-R45 PolarHBondContact O-N 2.94Å; V42-R45 PolarHBondContact O-N 3.47Å; R45-S47 VanDerWaalsContact C-N 3.27Å; R45-S47 PolarHBondContact O-N 3.35Å; R45-L48 WeakPolarHBondContact O-CB 3.19Å; R45-L48 PolarHBondContact O-N 2.88Å; R45-L48 VanDerWaalsContact O-N 3.14Å; R45-D49 PolarHBondContact O-N 3.26Å; R45-L69 HydrophobicContact CG-CD2 3.69Å |
| 46 | K | 92.9 | Very high | 85 | Confident | 146 Ų | 146 | 75 Ų | 75 | 64% | 0.635 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.3 | -38.3 | 175.8 | -175.5 | 179.3 | 178.8 | -178.8 | 0 | 112.1 | V42 A43 L44 T50 | V42-K46 WeakPolarHBondContact O-CB 3.47Å; V42-K46 PolarHBondContact O-N 3.03Å; A43-K46 PolarHBondContact O-N 2.84Å; L44-K46 PolarHBondContact O-N 3.41Å; K46-T50 WeakPolarHBondContact O-CG2 3.46Å; K46-T50 PolarHBondContact O-N 3.42Å; K46-T50 PolarHBondContact O-OG1 3.04Å |
| 47 | S | 91.7 | Very high | 85.3 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 111.2 | A43 L44 R45 D49 T50 Y51 M107 | A43-S47 PolarHBondContact O-N 3.49Å; L44-S47 WeakPolarHBondContact O-CB 3.34Å; L44-S47 PolarHBondContact O-N 3.05Å; L44-S47 VanDerWaalsContact O-N 3.11Å; R45-S47 VanDerWaalsContact C-N 3.27Å; R45-S47 PolarHBondContact O-N 3.35Å; S47-D49 PolarHBondContact O-N 3.47Å; S47-T50 PolarHBondContact O-N 3.49Å; S47-T50 PolarHBondContact O-OG1 3.15Å; S47-Y51 VanDerWaalsContact O-CB 3.25Å; S47-Y51 WeakPolarHBondContact O-CB 3.47Å; S47-Y51 PolarHBondContact O-N 3.36Å; S47-M107 WeakPolarHBondContact CB-O 3.37Å; S47-M107 WeakPolarHBondContact OG-CA 3.5Å; S47-M107 PolarHBondContact OG-O 3.05Å; S47-M107 VanDerWaalsContact OG-O 3.1Å |
| 48 | L | 91.2 | Very high | 85.5 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 177.2 | -70.4 | 157.6 | 0 | 0 | 0 | 111.9 | L44 R45 T50 Y51 K62 V65 E66 M107 | L44-L48 HydrophobicContact CD1-CD1 4.18Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 3.89Å; L44-L48 HydrophobicContact CG-CG 4.49Å; L44-L48 WeakPolarHBondContact O-CD1 3.35Å; L44-L48 VanDerWaalsContact O-CG 3.32Å; L44-L48 WeakPolarHBondContact O-CG 3.34Å; L44-L48 PolarHBondContact O-N 2.85Å; R45-L48 WeakPolarHBondContact O-CB 3.19Å; R45-L48 PolarHBondContact O-N 2.88Å; R45-L48 VanDerWaalsContact O-N 3.14Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 2.88Å; L48-Y51 PolarHBondContact O-N 3.37Å; L48-K62 HydrophobicContact CD2-CB 4.23Å; L48-K62 HydrophobicContact CD2-CG 4.21Å; L48-K62 WeakPolarHBondContact O-CE 3.43Å; L48-K62 PolarHBondContact O-NZ 2.94Å; L48-V65 HydrophobicContact CD1-CG1 3.96Å; L48-V65 HydrophobicContact CD2-CB 4.08Å; L48-V65 HydrophobicContact CD2-CG1 3.94Å; L48-V65 HydrophobicContact CG-CG1 4.47Å; L48-E66 HydrophobicContact CB-CG 4.46Å; L48-E66 HydrophobicContact CD1-CG 3.74Å; L48-E66 HydrophobicContact CD2-CG 4.49Å; L48-E66 HydrophobicContact CG-CG 4.45Å; L48-M107 HydrophobicContact CD2-SD 3.8Å |
| 49 | D | 88 | Confident | 85.6 | Confident | 123 Ų | 123 | 72 Ų | 72 | 66% | 0.658 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.7 | -35 | 178 | -66.4 | -26.1 | 0 | 0 | 0 | 112.5 | R45 S47 | R45-D49 PolarHBondContact O-N 3.26Å; S47-D49 PolarHBondContact O-N 3.47Å |
| 50 | T | 87 | Confident | 85.9 | Confident | 103 Ų | 103 | 71.6 Ų | 71.6 | 63% | 0.632 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -93.3 | -17.8 | -176.1 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | K46 S47 L48 G52 | K46-T50 WeakPolarHBondContact O-CG2 3.46Å; K46-T50 PolarHBondContact O-N 3.42Å; K46-T50 PolarHBondContact O-OG1 3.04Å; S47-T50 PolarHBondContact O-N 3.49Å; S47-T50 PolarHBondContact O-OG1 3.15Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 2.88Å; T50-G52 PolarHBondContact O-N 3.32Å |
| 51 | Y | 83.6 | Confident | 86.3 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -71.5 | 113.4 | 179.1 | -154.1 | -99.9 | 0 | 0 | 0 | 109 | S47 L48 I58 K62 D103 K106 M107 | S47-Y51 VanDerWaalsContact O-CB 3.25Å; S47-Y51 WeakPolarHBondContact O-CB 3.47Å; S47-Y51 PolarHBondContact O-N 3.36Å; L48-Y51 PolarHBondContact O-N 3.37Å; Y51-I58 HydrophobicContact CD1-CG2 4.23Å; Y51-I58 HydrophobicContact CE1-CG2 4.33Å; Y51-K62 PolarHBondContact O-NZ 3.46Å; Y51-D103 HydrophobicContact CE1-CB 3.97Å; Y51-D103 WeakPolarHBondContact OH-CA 3.35Å; Y51-D103 PolarHBondContact OH-OD1 2.98Å; Y51-K106 HydrophobicContact CE2-CB 3.77Å; Y51-K106 WeakPolarHBondContact OH-CB 3.41Å; Y51-K106 WeakPolarHBondContact OH-CD 3.44Å; Y51-M107 HydrophobicContact CD1-CG 3.69Å; Y51-M107 HydrophobicContact CD1-SD 3.85Å; Y51-M107 HydrophobicContact CD2-CG 3.58Å; Y51-M107 HydrophobicContact CE1-CG 4.01Å; Y51-M107 HydrophobicContact CE1-SD 4.34Å; Y51-M107 HydrophobicContact CE2-CG 3.92Å; Y51-M107 HydrophobicContact CG-CG 3.46Å; Y51-M107 VanDerWaalsContact CG-CG 3.46Å; Y51-M107 HydrophobicContact CG-SD 4.07Å |
| 52 | G | 75.4 | Confident | 86.4 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | trans | -42.6 | 155.3 | -158.6 | 0 | 0 | 0 | 0 | 0 | 118 | T50 N54 | T50-G52 PolarHBondContact O-N 3.32Å; G52-N54 PolarHBondContact O-N 2.88Å | ||
| 53 | D | 66 | Low | 86.5 | Confident | 140 Ų | 140 | 72 Ų | 72 | 75% | 0.749 | 38% | 0.375 | S | S | * | . | trans | -73 | 69.4 | -179.6 | -68.8 | -32.6 | 0 | 0 | 0 | 112.1 | ||||
| 54 | N | 66.2 | Low | 86.7 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 43% | 0.428 | 35% | 0.353 | S | S | . | . | trans | -92.2 | 119 | 179.9 | -71.9 | -30.2 | 0 | 0 | 0 | 110.8 | G52 I58 N59 | G52-N54 PolarHBondContact O-N 2.88Å; N54-I58 HydrophobicContact CB-CB 3.88Å; N54-I58 HydrophobicContact CB-CD1 3.64Å; N54-I58 HydrophobicContact CB-CG1 4.29Å; N54-I58 HydrophobicContact CB-CG2 4.08Å; N54-I58 WeakPolarHBondContact ND2-CD1 3.4Å; N54-N59 PolarHBondContact O-ND2 3.11Å; N54-N59 VanDerWaalsContact O-ND2 3.14Å; N54-N59 PolarHBondContact O-OD1 2.95Å | ||
| 55 | I | 73 | Confident | 86.8 | Confident | 168 Ų | 168 | 68.9 Ų | 68.9 | 86% | 0.862 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 143.4 | 177.8 | -56.5 | 173.2 | 0 | 0 | 0 | 110 | ||
| 56 | G | 84.5 | Confident | 86.8 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -124.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | I58 N59 R60 | G56-I58 PolarHBondContact O-N 3.08Å; G56-N59 PolarHBondContact O-N 3.1Å; G56-R60 PolarHBondContact O-N 3.32Å |
| 57 | T | 89.5 | Confident | 87 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | -167.4 | -51 | 0 | 0 | 0 | 0 | 113.4 | R60 M61 L94 F97 V100 | T57-R60 WeakPolarHBondContact O-CB 3.18Å; T57-R60 PolarHBondContact O-N 3.35Å; T57-M61 PolarHBondContact O-N 2.95Å; T57-L94 HydrophobicContact CG2-CD2 3.74Å; T57-F97 HydrophobicContact CG2-CB 3.85Å; T57-F97 HydrophobicContact CG2-CD2 3.98Å; T57-F97 HydrophobicContact CG2-CG 3.89Å; T57-V100 HydrophobicContact CG2-CG2 3.5Å; T57-V100 VanDerWaalsContact CG2-CG2 3.5Å |
| 58 | I | 88.3 | Confident | 87.2 | Confident | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.138 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 179.6 | -67.4 | 172.3 | 0 | 0 | 0 | 110.5 | Y51 N54 G56 R60 M61 K62 | Y51-I58 HydrophobicContact CD1-CG2 4.23Å; Y51-I58 HydrophobicContact CE1-CG2 4.33Å; N54-I58 HydrophobicContact CB-CB 3.88Å; N54-I58 HydrophobicContact CB-CD1 3.64Å; N54-I58 HydrophobicContact CB-CG1 4.29Å; N54-I58 HydrophobicContact CB-CG2 4.08Å; N54-I58 WeakPolarHBondContact ND2-CD1 3.4Å; G56-I58 PolarHBondContact O-N 3.08Å; I58-R60 VanDerWaalsContact C-N 3.26Å; I58-R60 PolarHBondContact O-N 3.19Å; I58-M61 HydrophobicContact CG2-CE 4.26Å; I58-M61 WeakPolarHBondContact O-CB 3.32Å; I58-M61 PolarHBondContact O-N 3.09Å; I58-M61 VanDerWaalsContact O-N 3.11Å; I58-K62 HydrophobicContact CG2-CD 4.25Å; I58-K62 HydrophobicContact CG2-CG 4.37Å; I58-K62 WeakPolarHBondContact O-CG 3.13Å; I58-K62 PolarHBondContact O-N 3.25Å |
| 59 | N | 89.2 | Confident | 87.3 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63 | -30.7 | 174.7 | -83.5 | -14 | 0 | 0 | 0 | 113.5 | N54 G56 R63 | N54-N59 PolarHBondContact O-ND2 3.11Å; N54-N59 VanDerWaalsContact O-ND2 3.14Å; N54-N59 PolarHBondContact O-OD1 2.95Å; G56-N59 PolarHBondContact O-N 3.1Å; N59-R63 WeakPolarHBondContact O-CG 3.35Å; N59-R63 PolarHBondContact O-N 3.02Å; N59-R63 PolarHBondContact O-NE 3.5Å |
| 60 | R | 92.2 | Very high | 87.5 | Confident | 118 Ų | 118 | 59.5 Ų | 59.5 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 172.4 | -71.6 | -179.4 | 62 | -166 | -4.4 | 111.7 | G56 T57 I58 A64 L94 | G56-R60 PolarHBondContact O-N 3.32Å; T57-R60 WeakPolarHBondContact O-CB 3.18Å; T57-R60 PolarHBondContact O-N 3.35Å; I58-R60 VanDerWaalsContact C-N 3.26Å; I58-R60 PolarHBondContact O-N 3.19Å; R60-A64 WeakPolarHBondContact O-CB 3.46Å; R60-A64 PolarHBondContact O-N 3.13Å; R60-A64 VanDerWaalsContact O-N 3.1Å; R60-L94 HydrophobicContact CB-CD1 4.19Å; R60-L94 HydrophobicContact CB-CD2 4.17Å |
| 61 | M | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -49.3 | 175.9 | 178.9 | -170.1 | 55.1 | 0 | 0 | 111 | T57 I58 R63 A64 V65 L91 L94 V100 D103 F104 M107 | T57-M61 PolarHBondContact O-N 2.95Å; I58-M61 HydrophobicContact CG2-CE 4.26Å; I58-M61 WeakPolarHBondContact O-CB 3.32Å; I58-M61 PolarHBondContact O-N 3.09Å; I58-M61 VanDerWaalsContact O-N 3.11Å; M61-R63 VanDerWaalsContact C-N 3.33Å; M61-R63 PolarHBondContact O-N 3.01Å; M61-A64 PolarHBondContact O-N 3.02Å; M61-A64 VanDerWaalsContact O-N 3.09Å; M61-V65 HydrophobicContact CG-CG2 4.34Å; M61-V65 WeakPolarHBondContact O-CG2 3.35Å; M61-V65 PolarHBondContact O-N 3.05Å; M61-L91 HydrophobicContact CG-CD2 4.03Å; M61-L94 HydrophobicContact CB-CD1 4.16Å; M61-V100 HydrophobicContact CG-CG1 4.37Å; M61-V100 HydrophobicContact SD-CG1 3.71Å; M61-D103 HydrophobicContact CE-CB 3.47Å; M61-D103 VanDerWaalsContact CE-CB 3.47Å; M61-D103 HydrophobicContact SD-CB 4.22Å; M61-F104 HydrophobicContact SD-CB 3.93Å; M61-F104 HydrophobicContact SD-CD2 4.41Å; M61-M107 HydrophobicContact CE-CE 3.13Å; M61-M107 HydrophobicContact CE-SD 3.9Å; M61-M107 HydrophobicContact CG-CE 3.96Å; M61-M107 HydrophobicContact SD-CE 3.5Å; M61-M107 WeakPolarHBondContact SD-CE 3.32Å |
| 62 | K | 93 | Very high | 88.2 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.1 | -51.5 | 177.2 | -73.5 | 178.4 | 63.2 | 170 | 0 | 111.4 | L48 Y51 I58 A64 V65 E66 M107 | L48-K62 HydrophobicContact CD2-CB 4.23Å; L48-K62 HydrophobicContact CD2-CG 4.21Å; L48-K62 WeakPolarHBondContact O-CE 3.43Å; L48-K62 PolarHBondContact O-NZ 2.94Å; Y51-K62 PolarHBondContact O-NZ 3.46Å; I58-K62 HydrophobicContact CG2-CD 4.25Å; I58-K62 HydrophobicContact CG2-CG 4.37Å; I58-K62 WeakPolarHBondContact O-CG 3.13Å; I58-K62 PolarHBondContact O-N 3.25Å; K62-A64 PolarHBondContact O-N 3.27Å; K62-V65 PolarHBondContact O-N 3.36Å; K62-V65 VanDerWaalsContact O-N 3.14Å; K62-E66 WeakPolarHBondContact O-CG 3.36Å; K62-E66 PolarHBondContact O-N 3.45Å; K62-M107 HydrophobicContact CG-SD 3.93Å |
| 63 | R | 93.1 | Very high | 88.9 | Confident | 155 Ų | 155 | 55.1 Ų | 55.1 | 59% | 0.585 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -57.5 | -46.2 | 176.4 | -79.7 | -174.8 | -99.4 | -176.9 | -13 | 112.5 | N59 M61 V65 E66 E67 | N59-R63 WeakPolarHBondContact O-CG 3.35Å; N59-R63 PolarHBondContact O-N 3.02Å; N59-R63 PolarHBondContact O-NE 3.5Å; M61-R63 VanDerWaalsContact C-N 3.33Å; M61-R63 PolarHBondContact O-N 3.01Å; R63-V65 VanDerWaalsContact C-N 3.3Å; R63-V65 PolarHBondContact O-N 3.43Å; R63-E66 PolarHBondContact O-N 3.1Å; R63-E67 WeakPolarHBondContact O-CB 3.2Å; R63-E67 WeakPolarHBondContact O-CG 3.32Å; R63-E67 PolarHBondContact O-N 3.38Å |
| 64 | A | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -34.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R60 M61 K62 L68 Q90 L91 | R60-A64 WeakPolarHBondContact O-CB 3.46Å; R60-A64 PolarHBondContact O-N 3.13Å; R60-A64 VanDerWaalsContact O-N 3.1Å; M61-A64 PolarHBondContact O-N 3.02Å; M61-A64 VanDerWaalsContact O-N 3.09Å; K62-A64 PolarHBondContact O-N 3.27Å; A64-L68 WeakPolarHBondContact O-CB 3.39Å; A64-L68 PolarHBondContact O-N 3.44Å; A64-Q90 HydrophobicContact CB-CG 4.44Å; A64-L91 HydrophobicContact CB-CD1 4.39Å; A64-L91 HydrophobicContact CB-CD2 3.75Å; A64-L91 HydrophobicContact CB-CG 3.77Å |
| 65 | V | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.2 | -44 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | L44 L48 M61 K62 R63 L68 L69 L91 F104 M107 A109 L112 | L44-V65 HydrophobicContact CD1-CG1 4.36Å; L44-V65 HydrophobicContact CD2-CG1 4.17Å; L48-V65 HydrophobicContact CD1-CG1 3.96Å; L48-V65 HydrophobicContact CD2-CB 4.08Å; L48-V65 HydrophobicContact CD2-CG1 3.94Å; L48-V65 HydrophobicContact CG-CG1 4.47Å; M61-V65 HydrophobicContact CG-CG2 4.34Å; M61-V65 WeakPolarHBondContact O-CG2 3.35Å; M61-V65 PolarHBondContact O-N 3.05Å; K62-V65 PolarHBondContact O-N 3.36Å; K62-V65 VanDerWaalsContact O-N 3.14Å; R63-V65 VanDerWaalsContact C-N 3.3Å; R63-V65 PolarHBondContact O-N 3.43Å; V65-L68 PolarHBondContact O-N 2.98Å; V65-L69 WeakPolarHBondContact O-CB 3.44Å; V65-L69 PolarHBondContact O-N 2.93Å; V65-L91 HydrophobicContact CG2-CD2 4.1Å; V65-F104 HydrophobicContact CG2-CD2 4.02Å; V65-F104 HydrophobicContact CG2-CE2 3.78Å; V65-M107 HydrophobicContact CG2-CE 4.3Å; V65-A109 HydrophobicContact CG1-CB 4.08Å; V65-L112 HydrophobicContact CG1-CD2 3.71Å |
| 66 | E | 94.5 | Very high | 91.6 | Very high | 78 Ų | 78 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.5 | -74.9 | 168.5 | -174.5 | 0 | 0 | 111.8 | L48 K62 R63 L69 A70 | L48-E66 HydrophobicContact CB-CG 4.46Å; L48-E66 HydrophobicContact CD1-CG 3.74Å; L48-E66 HydrophobicContact CD2-CG 4.49Å; L48-E66 HydrophobicContact CG-CG 4.45Å; K62-E66 WeakPolarHBondContact O-CG 3.36Å; K62-E66 PolarHBondContact O-N 3.45Å; R63-E66 PolarHBondContact O-N 3.1Å; E66-L69 WeakPolarHBondContact O-CB 3.17Å; E66-L69 PolarHBondContact O-N 3.11Å; E66-A70 PolarHBondContact O-N 3.1Å; E66-A70 VanDerWaalsContact O-N 3.14Å |
| 67 | E | 95.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 45.9 Ų | 45.9 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 179.1 | -70.7 | -71.3 | 159.3 | 0 | 0 | 111.7 | R63 L69 A70 Y87 | R63-E67 WeakPolarHBondContact O-CB 3.2Å; R63-E67 WeakPolarHBondContact O-CG 3.32Å; R63-E67 PolarHBondContact O-N 3.38Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.4Å; E67-A70 WeakPolarHBondContact O-CB 3.26Å; E67-A70 PolarHBondContact O-N 3.4Å; E67-Y87 HydrophobicContact CB-CD1 4.04Å; E67-Y87 HydrophobicContact CB-CD2 3.73Å; E67-Y87 HydrophobicContact CB-CE1 3.78Å; E67-Y87 HydrophobicContact CB-CE2 3.45Å; E67-Y87 VanDerWaalsContact CB-CE2 3.45Å; E67-Y87 HydrophobicContact CB-CG 4.03Å; E67-Y87 VanDerWaalsContact CB-CZ 3.45Å; E67-Y87 VanDerWaalsContact CD-OH 3.29Å; E67-Y87 HydrophobicContact CG-CE1 3.96Å; E67-Y87 HydrophobicContact CG-CE2 4.19Å; E67-Y87 PolarHBondContact OE2-OH 3.28Å |
| 68 | L | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 175.1 | -169.1 | 68.3 | 0 | 0 | 0 | 111.2 | A64 V65 A70 V71 A72 L88 L91 L112 L113 F116 | A64-L68 WeakPolarHBondContact O-CB 3.39Å; A64-L68 PolarHBondContact O-N 3.44Å; V65-L68 PolarHBondContact O-N 2.98Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 3Å; L68-V71 HydrophobicContact CD1-CG2 4.19Å; L68-V71 CarbonylContact O-C 3.6Å; L68-V71 VanDerWaalsContact O-CG2 3.29Å; L68-V71 WeakPolarHBondContact O-CG2 3.29Å; L68-V71 PolarHBondContact O-N 3.49Å; L68-V71 VanDerWaalsContact O-N 3.08Å; L68-A72 PolarHBondContact O-N 3.41Å; L68-L88 HydrophobicContact CD1-CD2 4.19Å; L68-L88 HydrophobicContact CD1-CG 4.1Å; L68-L88 HydrophobicContact CD2-CD2 3.92Å; L68-L91 HydrophobicContact CD2-CD1 3.85Å; L68-L112 HydrophobicContact CB-CD2 4.23Å; L68-L112 HydrophobicContact CD2-CD2 4.01Å; L68-L112 HydrophobicContact CD2-CG 4.27Å; L68-L112 HydrophobicContact CG-CD2 4.29Å; L68-L113 HydrophobicContact CD2-CD2 3.88Å; L68-F116 HydrophobicContact CD1-CD1 4.2Å; L68-F116 HydrophobicContact CD1-CD2 4.46Å; L68-F116 HydrophobicContact CD1-CE1 3.59Å; L68-F116 HydrophobicContact CD1-CE2 3.88Å; L68-F116 HydrophobicContact CD1-CZ 3.4Å; L68-F116 HydrophobicContact CD2-CD2 4.34Å; L68-F116 HydrophobicContact CD2-CE2 4Å; L68-F116 HydrophobicContact CD2-CZ 4.37Å; L68-F116 HydrophobicContact CG-CD2 4.34Å; L68-F116 HydrophobicContact CG-CE1 4.22Å; L68-F116 HydrophobicContact CG-CE2 3.59Å; L68-F116 HydrophobicContact CG-CZ 3.52Å; L68-F116 WeakPolarHBondContact O-CZ 3.24Å |
| 69 | L | 94.5 | Very high | 92.6 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 174.5 | -179.5 | 62.4 | 0 | 0 | 0 | 112.4 | L36 T41 L44 R45 V65 E66 E67 V71 A72 L112 | L36-L69 HydrophobicContact CD2-CD1 3.59Å; T41-L69 HydrophobicContact CG2-CD1 4.11Å; T41-L69 HydrophobicContact CG2-CD2 4.2Å; T41-L69 HydrophobicContact CG2-CG 4.34Å; L44-L69 HydrophobicContact CD2-CD1 4.25Å; L44-L69 HydrophobicContact CD2-CD2 4.21Å; L44-L69 HydrophobicContact CG-CD2 4.38Å; R45-L69 HydrophobicContact CG-CD2 3.69Å; V65-L69 WeakPolarHBondContact O-CB 3.44Å; V65-L69 PolarHBondContact O-N 2.93Å; E66-L69 WeakPolarHBondContact O-CB 3.17Å; E66-L69 PolarHBondContact O-N 3.11Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 3.4Å; L69-V71 PolarHBondContact O-N 3.35Å; L69-A72 PolarHBondContact O-N 2.95Å; L69-L112 HydrophobicContact CB-CD1 4.06Å; L69-L112 HydrophobicContact CD1-CD1 3.85Å |
| 70 | A | 92.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 48% | 0.479 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -20.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E66 E67 L68 | E66-A70 PolarHBondContact O-N 3.1Å; E66-A70 VanDerWaalsContact O-N 3.14Å; E67-A70 WeakPolarHBondContact O-CB 3.26Å; E67-A70 PolarHBondContact O-N 3.4Å; L68-A70 VanDerWaalsContact C-N 3.27Å; L68-A70 PolarHBondContact O-N 3Å |
| 71 | V | 93.7 | Very high | 93.1 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 19.6 | 180 | -61 | 0 | 0 | 0 | 0 | 113.1 | L68 L69 M73 L76 Q80 A84 F116 | L68-V71 HydrophobicContact CD1-CG2 4.19Å; L68-V71 CarbonylContact O-C 3.6Å; L68-V71 VanDerWaalsContact O-CG2 3.29Å; L68-V71 WeakPolarHBondContact O-CG2 3.29Å; L68-V71 PolarHBondContact O-N 3.49Å; L68-V71 VanDerWaalsContact O-N 3.08Å; L69-V71 PolarHBondContact O-N 3.35Å; V71-M73 PolarHBondContact O-N 3.25Å; V71-L76 HydrophobicContact CB-CD1 4.41Å; V71-L76 HydrophobicContact CB-CD2 4.09Å; V71-L76 WeakPolarHBondContact O-CD2 3.25Å; V71-Q80 HydrophobicContact CG1-CB 4.23Å; V71-Q80 HydrophobicContact CG1-CG 4.27Å; V71-A84 HydrophobicContact CG2-CB 4Å; V71-F116 HydrophobicContact CG2-CE1 4.17Å; V71-F116 HydrophobicContact CG2-CZ 4.16Å; V71-F116 WeakPolarHBondContact O-CE1 3.48Å |
| 72 | A | 92.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 56.8 Ų | 56.8 | 5% | 0.05 | 29% | 0.287 | C | S | . | . | trans | -79.1 | 61.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L68 L69 L112 F116 | L68-A72 PolarHBondContact O-N 3.41Å; L69-A72 PolarHBondContact O-N 2.95Å; A72-L112 HydrophobicContact CB-CD1 3.79Å; A72-F116 HydrophobicContact CB-CE2 3.93Å; A72-F116 HydrophobicContact CB-CZ 3.96Å | ||
| 73 | M | 88.4 | Confident | 93.4 | Very high | 71 Ų | 71 | 58.1 Ų | 58.1 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -148.6 | 160.5 | 177.4 | 65.5 | -171.2 | 80.7 | 0 | 0 | 110.6 | K35 V71 L76 H119 | K35-M73 HydrophobicContact CG-CB 4.48Å; V71-M73 PolarHBondContact O-N 3.25Å; M73-L76 HydrophobicContact CG-CD2 3.5Å; M73-L76 WeakPolarHBondContact O-CG 3.28Å; M73-L76 HydrophobicContact SD-CD2 4.41Å; M73-H119 PolarHBondContact O-NE2 3.39Å |
| 74 | Q | 83.4 | Confident | 93.6 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -69 | -51.3 | 179.6 | -72 | -76.2 | -26.9 | 0 | 0 | 113.2 | T34 L76 L118 H119 F120 | T34-Q74 HydrophobicContact CG2-CG 4.13Å; T34-Q74 PolarHBondContact O-N 3.01Å; Q74-L76 PolarHBondContact O-N 2.76Å; Q74-L118 PolarHBondContact NE2-O 3.3Å; Q74-H119 PolarHBondContact O-CE1 2.96Å; Q74-H119 VanDerWaalsContact O-CE1 3.29Å; Q74-H119 PolarHBondContact O-NE2 3.37Å; Q74-F120 HydrophobicContact CB-CD1 4.22Å; Q74-F120 HydrophobicContact CB-CE1 4.33Å; Q74-F120 WeakPolarHBondContact O-CE1 3.47Å |
| 75 | N | 88.2 | Confident | 93.7 | Very high | 135 Ų | 135 | 51.6 Ų | 51.6 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | trans | -84.5 | 69.6 | -165.4 | -64.3 | -26 | 0 | 0 | 0 | 111.3 | ||||
| 76 | L | 91 | Very high | 93.8 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | trans | -82.3 | 138.7 | 178 | -60.7 | -175.6 | 0 | 0 | 0 | 111.3 | V71 M73 Q74 Q80 V81 A84 I124 | V71-L76 HydrophobicContact CB-CD1 4.41Å; V71-L76 HydrophobicContact CB-CD2 4.09Å; V71-L76 WeakPolarHBondContact O-CD2 3.25Å; M73-L76 HydrophobicContact CG-CD2 3.5Å; M73-L76 WeakPolarHBondContact O-CG 3.28Å; M73-L76 HydrophobicContact SD-CD2 4.41Å; Q74-L76 PolarHBondContact O-N 2.76Å; L76-Q80 HydrophobicContact CB-CB 3.84Å; L76-Q80 HydrophobicContact CD2-CB 4Å; L76-Q80 HydrophobicContact CG-CB 4.32Å; L76-V81 HydrophobicContact CB-CG2 3.74Å; L76-V81 HydrophobicContact CD1-CG2 4.49Å; L76-A84 HydrophobicContact CD1-CB 4.12Å; L76-I124 HydrophobicContact CD1-CD1 3.95Å | ||
| 77 | S | 94.4 | Very high | 93.9 | Very high | 59 Ų | 59 | 55.4 Ų | 55.4 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | trans | -66 | 162.3 | 164.3 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | E79 Q80 V81 | S77-E79 PolarHBondContact O-N 3.23Å; S77-E79 VanDerWaalsContact O-N 3.17Å; S77-Q80 CarbonylContact O-C 3.53Å; S77-Q80 WeakPolarHBondContact O-CA 3.26Å; S77-Q80 WeakPolarHBondContact O-CB 3.45Å; S77-Q80 PolarHBondContact O-N 3.34Å; S77-Q80 WeakPolarHBondContact OG-CG 3.36Å; S77-Q80 PolarHBondContact OG-N 3.45Å; S77-Q80 PolarHBondContact OG-OE1 3.23Å; S77-V81 WeakPolarHBondContact O-CG2 3.4Å; S77-V81 PolarHBondContact O-N 3.1Å | ||
| 78 | N | 93.6 | Very high | 94.1 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 72% | 0.722 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55 | -36.9 | 179.2 | -70.9 | -17.2 | 0 | 0 | 0 | 113.1 | V81 K82 | N78-V81 PolarHBondContact O-N 3.42Å; N78-K82 WeakPolarHBondContact O-CG 2.99Å; N78-K82 PolarHBondContact O-N 3.07Å; N78-K82 VanDerWaalsContact O-N 3.16Å |
| 79 | E | 94.8 | Very high | 94.2 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 54% | 0.537 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 176.5 | -66.7 | -53.3 | 127.4 | 0 | 0 | 111.8 | S77 V81 K82 S83 | S77-E79 PolarHBondContact O-N 3.23Å; S77-E79 VanDerWaalsContact O-N 3.17Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-V81 PolarHBondContact O-N 2.87Å; E79-K82 PolarHBondContact O-N 3.22Å; E79-K82 IonicContact OE1-NZ 2.76Å; E79-K82 PolarHBondContact OE1-NZ 3.19Å; E79-K82 IonicContact OE2-NZ 3.84Å; E79-S83 PolarHBondContact O-N 2.95Å; E79-S83 PolarHBondContact O-OG 3.34Å |
| 80 | Q | 95.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 55.7 Ų | 55.7 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 174.8 | -71 | 168.7 | -56.6 | 0 | 0 | 112.3 | V71 L76 S77 S83 A84 | V71-Q80 HydrophobicContact CG1-CB 4.23Å; V71-Q80 HydrophobicContact CG1-CG 4.27Å; L76-Q80 HydrophobicContact CB-CB 3.84Å; L76-Q80 HydrophobicContact CD2-CB 4Å; L76-Q80 HydrophobicContact CG-CB 4.32Å; S77-Q80 CarbonylContact O-C 3.53Å; S77-Q80 WeakPolarHBondContact O-CA 3.26Å; S77-Q80 WeakPolarHBondContact O-CB 3.45Å; S77-Q80 PolarHBondContact O-N 3.34Å; S77-Q80 WeakPolarHBondContact OG-CG 3.36Å; S77-Q80 PolarHBondContact OG-N 3.45Å; S77-Q80 PolarHBondContact OG-OE1 3.23Å; Q80-S83 PolarHBondContact O-N 3.4Å; Q80-A84 WeakPolarHBondContact O-CB 3.41Å; Q80-A84 PolarHBondContact O-N 3.22Å |
| 81 | V | 96.4 | Very high | 94.5 | Very high | 22 Ų | 22 | 53 Ų | 53 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 172.5 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L76 S77 N78 E79 S83 A84 V85 V121 I124 | L76-V81 HydrophobicContact CB-CG2 3.74Å; L76-V81 HydrophobicContact CD1-CG2 4.49Å; S77-V81 WeakPolarHBondContact O-CG2 3.4Å; S77-V81 PolarHBondContact O-N 3.1Å; N78-V81 PolarHBondContact O-N 3.42Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-V81 PolarHBondContact O-N 2.87Å; V81-S83 VanDerWaalsContact C-N 3.31Å; V81-S83 PolarHBondContact O-N 2.97Å; V81-A84 PolarHBondContact O-N 3.2Å; V81-V85 WeakPolarHBondContact O-CG2 3.3Å; V81-V85 PolarHBondContact O-N 2.85Å; V81-V121 HydrophobicContact CG1-CG1 4.28Å; V81-V121 HydrophobicContact CG2-CG2 4.26Å; V81-I124 HydrophobicContact CB-CD1 4.3Å; V81-I124 HydrophobicContact CG1-CD1 3.99Å; V81-I124 HydrophobicContact CG1-CG1 4.4Å; V81-I124 HydrophobicContact CG2-CD1 4.11Å |
| 82 | K | 96.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 54.1 Ų | 54.1 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 176.1 | -69.7 | 172.8 | -172.4 | 167.3 | 0 | 111.7 | N78 E79 V85 K86 | N78-K82 WeakPolarHBondContact O-CG 2.99Å; N78-K82 PolarHBondContact O-N 3.07Å; N78-K82 VanDerWaalsContact O-N 3.16Å; E79-K82 PolarHBondContact O-N 3.22Å; E79-K82 IonicContact OE1-NZ 2.76Å; E79-K82 PolarHBondContact OE1-NZ 3.19Å; E79-K82 IonicContact OE2-NZ 3.84Å; K82-V85 PolarHBondContact O-N 2.61Å; K82-K86 WeakPolarHBondContact O-CB 3.32Å; K82-K86 PolarHBondContact O-N 3.44Å |
| 83 | S | 96.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 175.4 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | E79 Q80 V81 V85 K86 Y87 | E79-S83 PolarHBondContact O-N 2.95Å; E79-S83 PolarHBondContact O-OG 3.34Å; Q80-S83 PolarHBondContact O-N 3.4Å; V81-S83 VanDerWaalsContact C-N 3.31Å; V81-S83 PolarHBondContact O-N 2.97Å; S83-V85 PolarHBondContact O-N 3.16Å; S83-K86 WeakPolarHBondContact O-CB 3.49Å; S83-K86 PolarHBondContact O-N 3.12Å; S83-Y87 WeakPolarHBondContact O-CD2 3.38Å; S83-Y87 PolarHBondContact O-N 3.41Å |
| 84 | A | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -47 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V71 L76 Q80 V81 K86 Y87 L88 F116 I124 | V71-A84 HydrophobicContact CG2-CB 4Å; L76-A84 HydrophobicContact CD1-CB 4.12Å; Q80-A84 WeakPolarHBondContact O-CB 3.41Å; Q80-A84 PolarHBondContact O-N 3.22Å; V81-A84 PolarHBondContact O-N 3.2Å; A84-K86 PolarHBondContact O-N 3.43Å; A84-Y87 PolarHBondContact O-N 3.3Å; A84-L88 WeakPolarHBondContact O-CB 3.34Å; A84-L88 VanDerWaalsContact O-CG 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.11Å; A84-L88 PolarHBondContact O-N 3.48Å; A84-F116 HydrophobicContact CB-CE1 4.19Å; A84-I124 HydrophobicContact CB-CD1 3.99Å; A84-I124 HydrophobicContact CB-CG1 4.38Å |
| 85 | V | 97.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 175.6 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | V81 K82 S83 Y87 L88 N89 E123 I124 L127 | V81-V85 WeakPolarHBondContact O-CG2 3.3Å; V81-V85 PolarHBondContact O-N 2.85Å; K82-V85 PolarHBondContact O-N 2.61Å; S83-V85 PolarHBondContact O-N 3.16Å; V85-Y87 PolarHBondContact O-N 2.99Å; V85-L88 PolarHBondContact O-N 3.01Å; V85-N89 PolarHBondContact O-N 3.07Å; V85-N89 PolarHBondContact O-ND2 3.28Å; V85-E123 HydrophobicContact CG2-CG 4.02Å; V85-I124 HydrophobicContact CG2-CG1 4.07Å; V85-L127 HydrophobicContact CB-CD1 4.19Å; V85-L127 HydrophobicContact CG1-CD1 3.72Å; V85-L127 HydrophobicContact CG2-CD1 4.14Å |
| 86 | K | 97.5 | Very high | 95.7 | Very high | 127 Ų | 127 | 54.7 Ų | 54.7 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.9 | -47.6 | 177.7 | 178.8 | -172.4 | 174.4 | -172 | 0 | 111.7 | K82 S83 A84 N89 Q90 | K82-K86 WeakPolarHBondContact O-CB 3.32Å; K82-K86 PolarHBondContact O-N 3.44Å; S83-K86 WeakPolarHBondContact O-CB 3.49Å; S83-K86 PolarHBondContact O-N 3.12Å; A84-K86 PolarHBondContact O-N 3.43Å; K86-N89 PolarHBondContact O-N 3.42Å; K86-Q90 WeakPolarHBondContact O-CB 3.34Å; K86-Q90 PolarHBondContact O-N 3.45Å |
| 87 | Y | 97.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 12% | 0.122 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.1 | -33.8 | -176.3 | -60.1 | -48.6 | 0 | 0 | 0 | 112.9 | E67 S83 A84 V85 Q90 L91 | E67-Y87 HydrophobicContact CB-CD1 4.04Å; E67-Y87 HydrophobicContact CB-CD2 3.73Å; E67-Y87 HydrophobicContact CB-CE1 3.78Å; E67-Y87 HydrophobicContact CB-CE2 3.45Å; E67-Y87 VanDerWaalsContact CB-CE2 3.45Å; E67-Y87 HydrophobicContact CB-CG 4.03Å; E67-Y87 VanDerWaalsContact CB-CZ 3.45Å; E67-Y87 VanDerWaalsContact CD-OH 3.29Å; E67-Y87 HydrophobicContact CG-CE1 3.96Å; E67-Y87 HydrophobicContact CG-CE2 4.19Å; E67-Y87 PolarHBondContact OE2-OH 3.28Å; S83-Y87 WeakPolarHBondContact O-CD2 3.38Å; S83-Y87 PolarHBondContact O-N 3.41Å; A84-Y87 PolarHBondContact O-N 3.3Å; V85-Y87 PolarHBondContact O-N 2.99Å; Y87-Q90 PolarHBondContact O-N 2.95Å; Y87-L91 WeakPolarHBondContact O-CB 3.37Å; Y87-L91 WeakPolarHBondContact O-CG 3.43Å; Y87-L91 PolarHBondContact O-N 2.96Å |
| 88 | L | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 172.3 | -72.4 | 170.7 | 0 | 0 | 0 | 111.8 | L68 A84 V85 L91 T92 L113 I124 L127 A128 L131 | L68-L88 HydrophobicContact CD1-CD2 4.19Å; L68-L88 HydrophobicContact CD1-CG 4.1Å; L68-L88 HydrophobicContact CD2-CD2 3.92Å; A84-L88 WeakPolarHBondContact O-CB 3.34Å; A84-L88 VanDerWaalsContact O-CG 3.27Å; A84-L88 WeakPolarHBondContact O-CG 3.11Å; A84-L88 PolarHBondContact O-N 3.48Å; V85-L88 PolarHBondContact O-N 3.01Å; L88-L91 PolarHBondContact O-N 3.43Å; L88-T92 WeakPolarHBondContact O-CB 3.4Å; L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.36Å; L88-L113 HydrophobicContact CD2-CD2 4.16Å; L88-I124 HydrophobicContact CD1-CG2 4.08Å; L88-L127 HydrophobicContact CB-CB 4.05Å; L88-L127 HydrophobicContact CD1-CB 4Å; L88-A128 HydrophobicContact CD1-CB 4.32Å; L88-A128 HydrophobicContact CD2-CB 4.26Å; L88-L131 HydrophobicContact CD2-CD2 3.89Å |
| 89 | N | 97.4 | Very high | 94.8 | Very high | 64 Ų | 64 | 62.6 Ų | 62.6 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 174 | -76.3 | -33.6 | 0 | 0 | 0 | 111.1 | V85 K86 L91 T92 D93 L127 | V85-N89 PolarHBondContact O-N 3.07Å; V85-N89 PolarHBondContact O-ND2 3.28Å; K86-N89 PolarHBondContact O-N 3.42Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.47Å; N89-T92 WeakPolarHBondContact O-CA 3.22Å; N89-T92 WeakPolarHBondContact O-CB 3.14Å; N89-T92 PolarHBondContact O-N 2.9Å; N89-D93 VanDerWaalsContact O-CG 3.32Å; N89-D93 PolarHBondContact O-N 3.42Å; N89-L127 VanDerWaalsContact OD1-CD2 3.24Å; N89-L127 WeakPolarHBondContact OD1-CD2 3.48Å |
| 90 | Q | 96.3 | Very high | 94.6 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 21% | 0.206 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 178.4 | -178.8 | 178.2 | -18 | 0 | 0 | 112.4 | A64 K86 Y87 T92 L94 | A64-Q90 HydrophobicContact CB-CG 4.44Å; K86-Q90 WeakPolarHBondContact O-CB 3.34Å; K86-Q90 PolarHBondContact O-N 3.45Å; Y87-Q90 PolarHBondContact O-N 2.95Å; Q90-T92 VanDerWaalsContact C-N 3.33Å; Q90-L94 HydrophobicContact CG-CD1 4.22Å; Q90-L94 WeakPolarHBondContact O-CB 3.36Å; Q90-L94 WeakPolarHBondContact O-CG 3.4Å; Q90-L94 PolarHBondContact O-N 3.37Å |
| 91 | L | 97 | Very high | 94.6 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 176.3 | -77.3 | 168.7 | 0 | 0 | 0 | 112.3 | M61 A64 V65 L68 Y87 L88 N89 L94 C95 F104 L131 | M61-L91 HydrophobicContact CG-CD2 4.03Å; A64-L91 HydrophobicContact CB-CD1 4.39Å; A64-L91 HydrophobicContact CB-CD2 3.75Å; A64-L91 HydrophobicContact CB-CG 3.77Å; V65-L91 HydrophobicContact CG2-CD2 4.1Å; L68-L91 HydrophobicContact CD2-CD1 3.85Å; Y87-L91 WeakPolarHBondContact O-CB 3.37Å; Y87-L91 WeakPolarHBondContact O-CG 3.43Å; Y87-L91 PolarHBondContact O-N 2.96Å; L88-L91 PolarHBondContact O-N 3.43Å; N89-L91 VanDerWaalsContact C-N 3.31Å; N89-L91 PolarHBondContact O-N 3.47Å; L91-L94 PolarHBondContact O-N 2.81Å; L91-C95 PolarHBondContact O-N 3.29Å; L91-C95 PolarHBondContact O-SG 3.1Å; L91-F104 HydrophobicContact CD1-CE2 4.24Å; L91-F104 HydrophobicContact CD2-CD2 4.39Å; L91-F104 HydrophobicContact CD2-CE2 4.3Å; L91-L131 HydrophobicContact CB-CD1 3.91Å; L91-L131 HydrophobicContact CB-CD2 3.75Å; L91-L131 HydrophobicContact CD1-CD2 4.03Å |
| 92 | T | 96.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | L88 N89 Q90 L94 C95 | L88-T92 WeakPolarHBondContact O-CB 3.4Å; L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.36Å; N89-T92 WeakPolarHBondContact O-CA 3.22Å; N89-T92 WeakPolarHBondContact O-CB 3.14Å; N89-T92 PolarHBondContact O-N 2.9Å; Q90-T92 VanDerWaalsContact C-N 3.33Å; T92-L94 PolarHBondContact O-N 3.11Å; T92-C95 VanDerWaalsContact O-CB 3.25Å; T92-C95 WeakPolarHBondContact O-CB 3.47Å; T92-C95 PolarHBondContact O-N 3Å |
| 93 | D | 95.7 | Very high | 94.3 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -34.5 | 176.5 | -61.3 | -18.5 | 0 | 0 | 0 | 111.9 | N89 C95 D96 | N89-D93 VanDerWaalsContact O-CG 3.32Å; N89-D93 PolarHBondContact O-N 3.42Å; D93-C95 PolarHBondContact O-N 3.33Å; D93-D96 PolarHBondContact O-N 3.48Å |
| 94 | L | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -23 | 176.9 | -72.3 | 169.5 | 0 | 0 | 0 | 112.5 | T57 R60 M61 Q90 L91 T92 D96 F97 V100 | T57-L94 HydrophobicContact CG2-CD2 3.74Å; R60-L94 HydrophobicContact CB-CD1 4.19Å; R60-L94 HydrophobicContact CB-CD2 4.17Å; M61-L94 HydrophobicContact CB-CD1 4.16Å; Q90-L94 HydrophobicContact CG-CD1 4.22Å; Q90-L94 WeakPolarHBondContact O-CB 3.36Å; Q90-L94 WeakPolarHBondContact O-CG 3.4Å; Q90-L94 PolarHBondContact O-N 3.37Å; L91-L94 PolarHBondContact O-N 2.81Å; T92-L94 PolarHBondContact O-N 3.11Å; L94-D96 PolarHBondContact O-N 3.37Å; L94-F97 HydrophobicContact CD2-CD2 4.25Å; L94-F97 HydrophobicContact CD2-CE2 4.31Å; L94-F97 WeakPolarHBondContact O-CD2 3.41Å; L94-F97 PolarHBondContact O-N 3.33Å; L94-F97 VanDerWaalsContact O-N 3.12Å; L94-V100 HydrophobicContact CB-CG1 4.08Å; L94-V100 WeakPolarHBondContact O-CB 3.18Å; L94-V100 WeakPolarHBondContact O-CG1 3.29Å; L94-V100 WeakPolarHBondContact O-CG2 3.29Å |
| 95 | C | 93.7 | Very high | 94 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.8 | 177.5 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | L91 T92 D93 F97 Q101 A134 | L91-C95 PolarHBondContact O-N 3.29Å; L91-C95 PolarHBondContact O-SG 3.1Å; T92-C95 VanDerWaalsContact O-CB 3.25Å; T92-C95 WeakPolarHBondContact O-CB 3.47Å; T92-C95 PolarHBondContact O-N 3Å; D93-C95 PolarHBondContact O-N 3.33Å; C95-F97 PolarHBondContact O-N 3.25Å; C95-Q101 HydrophobicContact CB-CG 4.23Å; C95-Q101 PolarHBondContact O-NE2 3.3Å; C95-A134 HydrophobicContact CB-CB 3.98Å |
| 96 | D | 89.7 | Confident | 93.8 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 78% | 0.775 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.9 | 174.5 | -67.7 | -22.7 | 0 | 0 | 0 | 112.5 | D93 L94 | D93-D96 PolarHBondContact O-N 3.48Å; L94-D96 PolarHBondContact O-N 3.37Å |
| 97 | F | 89.4 | Confident | 93.5 | Very high | 99 Ų | 99 | 50.2 Ų | 50.2 | 43% | 0.434 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -84.2 | 135.5 | 176.9 | -61.4 | -86.2 | 0 | 0 | 0 | 111.8 | T57 L94 C95 G99 V100 | T57-F97 HydrophobicContact CG2-CB 3.85Å; T57-F97 HydrophobicContact CG2-CD2 3.98Å; T57-F97 HydrophobicContact CG2-CG 3.89Å; L94-F97 HydrophobicContact CD2-CD2 4.25Å; L94-F97 HydrophobicContact CD2-CE2 4.31Å; L94-F97 WeakPolarHBondContact O-CD2 3.41Å; L94-F97 PolarHBondContact O-N 3.33Å; L94-F97 VanDerWaalsContact O-N 3.12Å; C95-F97 PolarHBondContact O-N 3.25Å; F97-G99 PolarHBondContact O-N 3.02Å; F97-V100 HydrophobicContact CB-CG2 3.79Å; F97-V100 PolarHBondContact O-N 3.05Å |
| 98 | R | 84.1 | Confident | 93.3 | Very high | 252 Ų | 252 | 50.8 Ų | 50.8 | 95% | 0.951 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 126 | -178.3 | -165.5 | -178.9 | -163.3 | -168.5 | 5.3 | 111.2 | ||
| 99 | G | 86.8 | Confident | 93.1 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 24% | 0.237 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -20.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | F97 Q101 T102 D103 | F97-G99 PolarHBondContact O-N 3.02Å; G99-Q101 VanDerWaalsContact C-N 3.33Å; G99-Q101 PolarHBondContact O-N 3.37Å; G99-T102 WeakPolarHBondContact O-CA 3.5Å; G99-T102 WeakPolarHBondContact O-CB 3.38Å; G99-T102 PolarHBondContact O-N 3.02Å; G99-D103 PolarHBondContact O-N 3.24Å |
| 100 | V | 92 | Very high | 93 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | -174.1 | 170.9 | 0 | 0 | 0 | 0 | 112.6 | T57 M61 L94 F97 T102 D103 F104 | T57-V100 HydrophobicContact CG2-CG2 3.5Å; T57-V100 VanDerWaalsContact CG2-CG2 3.5Å; M61-V100 HydrophobicContact CG-CG1 4.37Å; M61-V100 HydrophobicContact SD-CG1 3.71Å; L94-V100 HydrophobicContact CB-CG1 4.08Å; L94-V100 WeakPolarHBondContact O-CB 3.18Å; L94-V100 WeakPolarHBondContact O-CG1 3.29Å; L94-V100 WeakPolarHBondContact O-CG2 3.29Å; F97-V100 HydrophobicContact CB-CG2 3.79Å; F97-V100 PolarHBondContact O-N 3.05Å; V100-T102 VanDerWaalsContact C-N 3.27Å; V100-T102 PolarHBondContact O-N 3.32Å; V100-D103 PolarHBondContact O-N 3.49Å; V100-F104 WeakPolarHBondContact O-CB 3.4Å; V100-F104 PolarHBondContact O-N 2.9Å |
| 101 | Q | 94 | Very high | 92.9 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 178.5 | -56.1 | 87.7 | -18.9 | 0 | 0 | 112.4 | C95 G99 F104 C105 A134 L135 R139 | C95-Q101 HydrophobicContact CB-CG 4.23Å; C95-Q101 PolarHBondContact O-NE2 3.3Å; G99-Q101 VanDerWaalsContact C-N 3.33Å; G99-Q101 PolarHBondContact O-N 3.37Å; Q101-F104 PolarHBondContact O-N 2.92Å; Q101-C105 PolarHBondContact O-N 3.07Å; Q101-C105 VanDerWaalsContact O-N 3.1Å; Q101-C105 PolarHBondContact O-SG 3.37Å; Q101-A134 WeakPolarHBondContact CG-O 3.28Å; Q101-L135 HydrophobicContact CB-CD2 4.02Å; Q101-L135 HydrophobicContact CG-CD2 4.04Å; Q101-R139 VanDerWaalsContact CD-NH1 3.26Å |
| 102 | T | 93.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 30% | 0.301 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.5 | -42.2 | 177.7 | -56.4 | 0 | 0 | 0 | 0 | 110 | G99 V100 C105 K106 | G99-T102 WeakPolarHBondContact O-CA 3.5Å; G99-T102 WeakPolarHBondContact O-CB 3.38Å; G99-T102 PolarHBondContact O-N 3.02Å; V100-T102 VanDerWaalsContact C-N 3.27Å; V100-T102 PolarHBondContact O-N 3.32Å; T102-C105 PolarHBondContact O-N 2.75Å; T102-K106 HydrophobicContact CG2-CD 4.13Å; T102-K106 HydrophobicContact CG2-CG 4.42Å; T102-K106 WeakPolarHBondContact O-CB 3.43Å; T102-K106 VanDerWaalsContact O-CG 3.3Å; T102-K106 WeakPolarHBondContact O-CG 3.28Å; T102-K106 PolarHBondContact O-N 3.49Å |
| 103 | D | 93.3 | Very high | 92.8 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 177.2 | -64.8 | -47.3 | 0 | 0 | 0 | 111.7 | Y51 M61 G99 V100 C105 K106 M107 | Y51-D103 HydrophobicContact CE1-CB 3.97Å; Y51-D103 WeakPolarHBondContact OH-CA 3.35Å; Y51-D103 PolarHBondContact OH-OD1 2.98Å; M61-D103 HydrophobicContact CE-CB 3.47Å; M61-D103 VanDerWaalsContact CE-CB 3.47Å; M61-D103 HydrophobicContact SD-CB 4.22Å; G99-D103 PolarHBondContact O-N 3.24Å; V100-D103 PolarHBondContact O-N 3.49Å; D103-C105 VanDerWaalsContact C-N 3.3Å; D103-C105 PolarHBondContact O-N 3.02Å; D103-K106 PolarHBondContact O-N 3.17Å; D103-M107 WeakPolarHBondContact O-CG 3.44Å; D103-M107 PolarHBondContact O-N 3.2Å |
| 104 | F | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.4 | -47.7 | 172.8 | -171.8 | -84.1 | 0 | 0 | 0 | 111.6 | M61 V65 L91 V100 Q101 A109 L113 L135 F146 | M61-F104 HydrophobicContact SD-CB 3.93Å; M61-F104 HydrophobicContact SD-CD2 4.41Å; V65-F104 HydrophobicContact CG2-CD2 4.02Å; V65-F104 HydrophobicContact CG2-CE2 3.78Å; L91-F104 HydrophobicContact CD1-CE2 4.24Å; L91-F104 HydrophobicContact CD2-CD2 4.39Å; L91-F104 HydrophobicContact CD2-CE2 4.3Å; V100-F104 WeakPolarHBondContact O-CB 3.4Å; V100-F104 PolarHBondContact O-N 2.9Å; Q101-F104 PolarHBondContact O-N 2.92Å; F104-A109 HydrophobicContact CD1-CB 3.93Å; F104-A109 HydrophobicContact CD2-CB 4.19Å; F104-A109 HydrophobicContact CE1-CB 3.61Å; F104-A109 WeakPolarHBondContact CE1-O 3.38Å; F104-A109 HydrophobicContact CE2-CB 3.89Å; F104-A109 HydrophobicContact CG-CB 4.21Å; F104-A109 HydrophobicContact CZ-CB 3.59Å; F104-A109 WeakPolarHBondContact O-CB 3.19Å; F104-A109 PolarHBondContact O-N 3.11Å; F104-L113 HydrophobicContact CE1-CD1 4.35Å; F104-L113 HydrophobicContact CZ-CD1 4.17Å; F104-L113 HydrophobicContact CZ-CG 4.2Å; F104-L135 HydrophobicContact CB-CD2 3.83Å; F104-L135 HydrophobicContact CD1-CD1 3.7Å; F104-L135 HydrophobicContact CD1-CD2 3.88Å; F104-L135 HydrophobicContact CD1-CG 4.45Å; F104-L135 HydrophobicContact CD2-CD2 4.36Å; F104-L135 HydrophobicContact CE1-CD1 3.6Å; F104-L135 HydrophobicContact CE2-CD1 4.48Å; F104-L135 HydrophobicContact CG-CD1 4.21Å; F104-L135 HydrophobicContact CG-CD2 3.76Å; F104-L135 HydrophobicContact CZ-CD1 4.02Å; F104-F146 HydrophobicContact CE1-CZ 4.21Å |
| 105 | C | 94.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 14% | 0.142 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.8 | -38.6 | 178.6 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | Q101 T102 D103 M107 G108 A145 | Q101-C105 PolarHBondContact O-N 3.07Å; Q101-C105 VanDerWaalsContact O-N 3.1Å; Q101-C105 PolarHBondContact O-SG 3.37Å; T102-C105 PolarHBondContact O-N 2.75Å; D103-C105 VanDerWaalsContact C-N 3.3Å; D103-C105 PolarHBondContact O-N 3.02Å; C105-M107 VanDerWaalsContact C-N 3.3Å; C105-M107 PolarHBondContact O-N 3.33Å; C105-G108 PolarHBondContact O-N 2.66Å; C105-A145 HydrophobicContact CB-CB 3.98Å |
| 106 | K | 91.8 | Very high | 92.8 | Very high | 138 Ų | 138 | 41.8 Ų | 41.8 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.1 | -29.9 | 178.7 | -78.3 | 177.3 | 174.2 | -179.2 | 0 | 113.4 | Y51 T102 D103 G108 | Y51-K106 HydrophobicContact CE2-CB 3.77Å; Y51-K106 WeakPolarHBondContact OH-CB 3.41Å; Y51-K106 WeakPolarHBondContact OH-CD 3.44Å; T102-K106 HydrophobicContact CG2-CD 4.13Å; T102-K106 HydrophobicContact CG2-CG 4.42Å; T102-K106 WeakPolarHBondContact O-CB 3.43Å; T102-K106 VanDerWaalsContact O-CG 3.3Å; T102-K106 WeakPolarHBondContact O-CG 3.28Å; T102-K106 PolarHBondContact O-N 3.49Å; D103-K106 PolarHBondContact O-N 3.17Å; K106-G108 PolarHBondContact O-N 2.87Å |
| 107 | M | 91.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.7 | 171.2 | -68.3 | -178.5 | -59.2 | 0 | 0 | 113.1 | L44 S47 L48 Y51 M61 K62 V65 D103 C105 A109 | L44-M107 VanDerWaalsContact CD1-O 3.28Å; L44-M107 WeakPolarHBondContact CD1-O 3.39Å; S47-M107 WeakPolarHBondContact CB-O 3.37Å; S47-M107 WeakPolarHBondContact OG-CA 3.5Å; S47-M107 PolarHBondContact OG-O 3.05Å; S47-M107 VanDerWaalsContact OG-O 3.1Å; L48-M107 HydrophobicContact CD2-SD 3.8Å; Y51-M107 HydrophobicContact CD1-CG 3.69Å; Y51-M107 HydrophobicContact CD1-SD 3.85Å; Y51-M107 HydrophobicContact CD2-CG 3.58Å; Y51-M107 HydrophobicContact CE1-CG 4.01Å; Y51-M107 HydrophobicContact CE1-SD 4.34Å; Y51-M107 HydrophobicContact CE2-CG 3.92Å; Y51-M107 HydrophobicContact CG-CG 3.46Å; Y51-M107 VanDerWaalsContact CG-CG 3.46Å; Y51-M107 HydrophobicContact CG-SD 4.07Å; M61-M107 HydrophobicContact CE-CE 3.13Å; M61-M107 HydrophobicContact CE-SD 3.9Å; M61-M107 HydrophobicContact CG-CE 3.96Å; M61-M107 HydrophobicContact SD-CE 3.5Å; M61-M107 WeakPolarHBondContact SD-CE 3.32Å; K62-M107 HydrophobicContact CG-SD 3.93Å; V65-M107 HydrophobicContact CG2-CE 4.3Å; D103-M107 WeakPolarHBondContact O-CG 3.44Å; D103-M107 PolarHBondContact O-N 3.2Å; C105-M107 VanDerWaalsContact C-N 3.3Å; C105-M107 PolarHBondContact O-N 3.33Å; M107-A109 VanDerWaalsContact C-N 3.29Å; M107-A109 PolarHBondContact O-N 3.31Å |
| 108 | G | 92.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 43% | 0.433 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 25.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C105 K106 A110 P111 | C105-G108 PolarHBondContact O-N 2.66Å; K106-G108 PolarHBondContact O-N 2.87Å; G108-A110 VanDerWaalsContact C-N 3.32Å; G108-A110 PolarHBondContact O-N 3.38Å; G108-P111 VanDerWaalsContact O-CD 3.29Å; G108-P111 WeakPolarHBondContact O-CD 3.42Å |
| 109 | A | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -81.7 | -2.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L44 V65 F104 M107 L112 | L44-A109 HydrophobicContact CD1-CB 4.09Å; V65-A109 HydrophobicContact CG1-CB 4.08Å; F104-A109 HydrophobicContact CD1-CB 3.93Å; F104-A109 HydrophobicContact CD2-CB 4.19Å; F104-A109 HydrophobicContact CE1-CB 3.61Å; F104-A109 WeakPolarHBondContact CE1-O 3.38Å; F104-A109 HydrophobicContact CE2-CB 3.89Å; F104-A109 HydrophobicContact CG-CB 4.21Å; F104-A109 HydrophobicContact CZ-CB 3.59Å; F104-A109 WeakPolarHBondContact O-CB 3.19Å; F104-A109 PolarHBondContact O-N 3.11Å; M107-A109 VanDerWaalsContact C-N 3.29Å; M107-A109 PolarHBondContact O-N 3.31Å; A109-L112 WeakPolarHBondContact O-CB 3.36Å; A109-L112 PolarHBondContact O-N 3.37Å; A109-L112 VanDerWaalsContact O-N 3.15Å | ||
| 110 | A | 95.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -57.9 | -46.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G108 L112 L113 F146 A149 F151 | G108-A110 VanDerWaalsContact C-N 3.32Å; G108-A110 PolarHBondContact O-N 3.38Å; A110-L112 PolarHBondContact O-N 2.82Å; A110-L113 PolarHBondContact O-N 2.98Å; A110-F146 HydrophobicContact CB-CD1 4.38Å; A110-F146 HydrophobicContact CB-CD2 3.92Å; A110-F146 HydrophobicContact CB-CE1 4.26Å; A110-F146 HydrophobicContact CB-CE2 3.83Å; A110-F146 HydrophobicContact CB-CG 4.21Å; A110-F146 HydrophobicContact CB-CZ 3.99Å; A110-A149 HydrophobicContact CB-CB 3.96Å; A110-F151 WeakPolarHBondContact O-CE2 3.38Å |
| 111 | P | 93.7 | Very high | 94 | Very high | 42 Ų | 42 | 25 Ų | 25 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -61.1 | -24.9 | 177.3 | -23.2 | 35.4 | 0 | 0 | 0 | 114.1 | L36 G108 L113 V114 A149 | L36-P111 HydrophobicContact CD1-CB 4.27Å; L36-P111 VanDerWaalsContact CD1-O 3.24Å; L36-P111 WeakPolarHBondContact CD1-O 3.42Å; G108-P111 VanDerWaalsContact O-CD 3.29Å; G108-P111 WeakPolarHBondContact O-CD 3.42Å; P111-L113 PolarHBondContact O-N 3.22Å; P111-L113 VanDerWaalsContact O-N 3.13Å; P111-V114 WeakPolarHBondContact O-CB 3.48Å; P111-V114 WeakPolarHBondContact O-CG2 3.39Å; P111-V114 PolarHBondContact O-N 3.25Å; P111-V114 VanDerWaalsContact O-N 3.1Å; P111-A149 HydrophobicContact CG-CB 3.91Å |
| 112 | L | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -56.1 | -31.2 | 177.5 | 175 | 61.3 | 0 | 0 | 0 | 112 | L44 V65 L68 L69 A72 A109 A110 V114 P115 F116 | L44-L112 HydrophobicContact CD2-CB 4.09Å; L44-L112 HydrophobicContact CD2-CD2 4.17Å; V65-L112 HydrophobicContact CG1-CD2 3.71Å; L68-L112 HydrophobicContact CB-CD2 4.23Å; L68-L112 HydrophobicContact CD2-CD2 4.01Å; L68-L112 HydrophobicContact CD2-CG 4.27Å; L68-L112 HydrophobicContact CG-CD2 4.29Å; L69-L112 HydrophobicContact CB-CD1 4.06Å; L69-L112 HydrophobicContact CD1-CD1 3.85Å; A72-L112 HydrophobicContact CB-CD1 3.79Å; A109-L112 WeakPolarHBondContact O-CB 3.36Å; A109-L112 PolarHBondContact O-N 3.37Å; A109-L112 VanDerWaalsContact O-N 3.15Å; A110-L112 PolarHBondContact O-N 2.82Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-V114 PolarHBondContact O-N 2.96Å; L112-P115 WeakPolarHBondContact O-CD 3.18Å; L112-F116 HydrophobicContact CD1-CE2 4.02Å; L112-F116 HydrophobicContact CG-CE2 4.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.27Å; L112-F116 VanDerWaalsContact O-CE2 3.28Å; L112-F116 WeakPolarHBondContact O-CE2 3.18Å |
| 113 | L | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -79.4 | -11.9 | -176.6 | -64.4 | -175 | 0 | 0 | 0 | 113.8 | L68 L88 F104 A110 P111 F116 V117 L131 V132 L135 F146 F151 | L68-L113 HydrophobicContact CD2-CD2 3.88Å; L88-L113 HydrophobicContact CD2-CD2 4.16Å; F104-L113 HydrophobicContact CE1-CD1 4.35Å; F104-L113 HydrophobicContact CZ-CD1 4.17Å; F104-L113 HydrophobicContact CZ-CG 4.2Å; A110-L113 PolarHBondContact O-N 2.98Å; P111-L113 PolarHBondContact O-N 3.22Å; P111-L113 VanDerWaalsContact O-N 3.13Å; L113-F116 PolarHBondContact O-N 3Å; L113-V117 PolarHBondContact O-N 2.63Å; L113-L131 HydrophobicContact CD1-CD2 3.96Å; L113-L131 HydrophobicContact CD1-CG 4Å; L113-L131 HydrophobicContact CD2-CD2 3.8Å; L113-V132 HydrophobicContact CD1-CG2 4.01Å; L113-L135 HydrophobicContact CD1-CD1 3.77Å; L113-F146 HydrophobicContact CD1-CE1 4.06Å; L113-F146 HydrophobicContact CD1-CZ 3.99Å; L113-F151 HydrophobicContact CB-CE1 4.44Å; L113-F151 HydrophobicContact CB-CZ 3.84Å |
| 114 | V | 94.7 | Very high | 94.2 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -50.6 | -177.3 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | P111 L112 F116 V117 L118 F151 I154 | P111-V114 WeakPolarHBondContact O-CB 3.48Å; P111-V114 WeakPolarHBondContact O-CG2 3.39Å; P111-V114 PolarHBondContact O-N 3.25Å; P111-V114 VanDerWaalsContact O-N 3.1Å; L112-V114 VanDerWaalsContact C-N 3.32Å; L112-V114 PolarHBondContact O-N 2.96Å; V114-F116 PolarHBondContact O-N 3.27Å; V114-V117 PolarHBondContact O-N 2.75Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 PolarHBondContact O-N 3.17Å; V114-L118 VanDerWaalsContact O-N 3.14Å; V114-F151 HydrophobicContact CG2-CD2 4.44Å; V114-F151 HydrophobicContact CG2-CE2 3.6Å; V114-F151 HydrophobicContact CG2-CZ 3.81Å; V114-I154 HydrophobicContact CB-CD1 4.36Å; V114-I154 HydrophobicContact CG1-CD1 3.79Å; V114-I154 HydrophobicContact CG2-CD1 3.7Å |
| 115 | P | 93.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -30.2 | 177.5 | -25.6 | 36.6 | 0 | 0 | 0 | 113.8 | L112 H119 | L112-P115 WeakPolarHBondContact O-CD 3.18Å; P115-H119 PolarHBondContact O-N 3.45Å |
| 116 | F | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -81.4 | -38.8 | -178 | -58.6 | -79.9 | 0 | 0 | 0 | 112.4 | L68 V71 A72 A84 L112 L113 V114 L118 H119 I124 R125 A128 | L68-F116 HydrophobicContact CD1-CD1 4.2Å; L68-F116 HydrophobicContact CD1-CD2 4.46Å; L68-F116 HydrophobicContact CD1-CE1 3.59Å; L68-F116 HydrophobicContact CD1-CE2 3.88Å; L68-F116 HydrophobicContact CD1-CZ 3.4Å; L68-F116 HydrophobicContact CD2-CD2 4.34Å; L68-F116 HydrophobicContact CD2-CE2 4Å; L68-F116 HydrophobicContact CD2-CZ 4.37Å; L68-F116 HydrophobicContact CG-CD2 4.34Å; L68-F116 HydrophobicContact CG-CE1 4.22Å; L68-F116 HydrophobicContact CG-CE2 3.59Å; L68-F116 HydrophobicContact CG-CZ 3.52Å; L68-F116 WeakPolarHBondContact O-CZ 3.24Å; V71-F116 HydrophobicContact CG2-CE1 4.17Å; V71-F116 HydrophobicContact CG2-CZ 4.16Å; V71-F116 WeakPolarHBondContact O-CE1 3.48Å; A72-F116 HydrophobicContact CB-CE2 3.93Å; A72-F116 HydrophobicContact CB-CZ 3.96Å; A84-F116 HydrophobicContact CB-CE1 4.19Å; L112-F116 HydrophobicContact CD1-CE2 4.02Å; L112-F116 HydrophobicContact CG-CE2 4.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.27Å; L112-F116 VanDerWaalsContact O-CE2 3.28Å; L112-F116 WeakPolarHBondContact O-CE2 3.18Å; L113-F116 PolarHBondContact O-N 3Å; V114-F116 PolarHBondContact O-N 3.27Å; F116-L118 PolarHBondContact O-N 3.19Å; F116-H119 WeakPolarHBondContact O-CB 3.36Å; F116-H119 PolarHBondContact O-N 2.82Å; F116-I124 HydrophobicContact CB-CG2 4.01Å; F116-I124 HydrophobicContact CD1-CG2 3.73Å; F116-I124 HydrophobicContact CG-CG2 4.37Å; F116-R125 VanDerWaalsContact O-CA 3.31Å; F116-R125 WeakPolarHBondContact O-CA 3.5Å; F116-A128 HydrophobicContact CB-CB 3.56Å |
| 117 | V | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.3 | -29.1 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L113 V114 R125 A128 L129 V132 F151 I154 L155 T158 | L113-V117 PolarHBondContact O-N 2.63Å; V114-V117 PolarHBondContact O-N 2.75Å; V117-R125 WeakPolarHBondContact O-CD 3.26Å; V117-R125 WeakPolarHBondContact O-CG 3.37Å; V117-A128 HydrophobicContact CG2-CB 3.79Å; V117-L129 HydrophobicContact CG1-CD2 3.62Å; V117-L129 HydrophobicContact CG1-CG 4.22Å; V117-L129 HydrophobicContact CG2-CD2 4.17Å; V117-L129 HydrophobicContact CG2-CG 4.39Å; V117-V132 HydrophobicContact CG2-CG2 4.02Å; V117-F151 HydrophobicContact CG2-CE1 4.11Å; V117-I154 HydrophobicContact CG1-CG2 3.94Å; V117-L155 HydrophobicContact CG1-CD2 4.31Å; V117-T158 HydrophobicContact CG1-CG2 4.31Å |
| 118 | L | 93.1 | Very high | 94.9 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 14% | 0.141 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 13.1 | 176.3 | -62.4 | 176.1 | 0 | 0 | 0 | 113 | G32 Q74 V114 F116 I154 | G32-L118 WeakPolarHBondContact O-CD1 3.49Å; Q74-L118 PolarHBondContact NE2-O 3.3Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 PolarHBondContact O-N 3.17Å; V114-L118 VanDerWaalsContact O-N 3.14Å; F116-L118 PolarHBondContact O-N 3.19Å; L118-I154 HydrophobicContact CD1-CG2 4.4Å; L118-I154 HydrophobicContact CD2-CG2 4.16Å; L118-I154 HydrophobicContact CG-CG2 4.22Å |
| 119 | H | 93.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -70.6 | 142.1 | -174.2 | -155.6 | -84.7 | 0 | 0 | 0 | 112.7 | M73 Q74 P115 F116 V121 I124 | M73-H119 PolarHBondContact O-NE2 3.39Å; Q74-H119 PolarHBondContact O-CE1 2.96Å; Q74-H119 VanDerWaalsContact O-CE1 3.29Å; Q74-H119 PolarHBondContact O-NE2 3.37Å; P115-H119 PolarHBondContact O-N 3.45Å; F116-H119 WeakPolarHBondContact O-CB 3.36Å; F116-H119 PolarHBondContact O-N 2.82Å; H119-V121 VanDerWaalsContact C-N 3.3Å; H119-V121 WeakPolarHBondContact ND1-CB 3.44Å; H119-V121 PolarHBondContact ND1-N 3.37Å; H119-V121 PolarHBondContact O-N 3.27Å; H119-I124 HydrophobicContact CB-CB 4.21Å; H119-I124 HydrophobicContact CB-CG2 3.68Å | ||
| 120 | F | 91.7 | Very high | 95.3 | Very high | 114 Ų | 114 | 26.5 Ų | 26.5 | 50% | 0.5 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -67.3 | -30.2 | 177.7 | 69 | -104.2 | 0 | 0 | 0 | 113.2 | Q74 K122 | Q74-F120 HydrophobicContact CB-CD1 4.22Å; Q74-F120 HydrophobicContact CB-CE1 4.33Å; Q74-F120 WeakPolarHBondContact O-CE1 3.47Å; F120-K122 PolarHBondContact O-N 2.87Å |
| 121 | V | 93.3 | Very high | 95.4 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 19% | 0.194 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -71.9 | 111.4 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | V81 H119 E123 I124 R125 | V81-V121 HydrophobicContact CG1-CG1 4.28Å; V81-V121 HydrophobicContact CG2-CG2 4.26Å; H119-V121 VanDerWaalsContact C-N 3.3Å; H119-V121 WeakPolarHBondContact ND1-CB 3.44Å; H119-V121 PolarHBondContact ND1-N 3.37Å; H119-V121 PolarHBondContact O-N 3.27Å; V121-E123 HydrophobicContact CG1-CB 4.23Å; V121-E123 PolarHBondContact O-N 3.44Å; V121-I124 HydrophobicContact CB-CB 4.29Å; V121-I124 HydrophobicContact CB-CD1 4.13Å; V121-I124 HydrophobicContact CB-CG1 4.24Å; V121-I124 HydrophobicContact CG1-CB 4.49Å; V121-I124 HydrophobicContact CG1-CD1 4.39Å; V121-I124 HydrophobicContact CG1-CG1 4.18Å; V121-I124 HydrophobicContact CG2-CD1 4.48Å; V121-I124 PolarHBondContact O-N 3.31Å; V121-R125 PolarHBondContact O-N 2.87Å; V121-R125 VanDerWaalsContact O-N 3.09Å |
| 122 | K | 94.1 | Very high | 95.6 | Very high | 112 Ų | 112 | 24.3 Ų | 24.3 | 49% | 0.487 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -54.9 | -36.6 | -177.2 | -58.7 | -179.2 | -174.7 | -165.7 | 0 | 113.4 | F120 S126 S163 C164 | F120-K122 PolarHBondContact O-N 2.87Å; K122-S126 WeakPolarHBondContact O-CB 3.36Å; K122-S126 PolarHBondContact O-N 3.38Å; K122-S163 WeakPolarHBondContact CE-O 3.22Å; K122-S163 PolarHBondContact NZ-O 3.41Å; K122-C164 HydrophobicContact CD-CB 3.85Å; K122-C164 HydrophobicContact CG-CB 4.09Å |
| 123 | E | 95.1 | Very high | 95.7 | Very high | 111 Ų | 111 | 24.8 Ų | 24.8 | 52% | 0.519 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 178.3 | -175.1 | 179.2 | -169.5 | 0 | 0 | 112 | V85 V121 R125 S126 L127 | V85-E123 HydrophobicContact CG2-CG 4.02Å; V121-E123 HydrophobicContact CG1-CB 4.23Å; V121-E123 PolarHBondContact O-N 3.44Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.18Å; E123-S126 PolarHBondContact O-N 3.21Å; E123-L127 HydrophobicContact CG-CD1 4.19Å; E123-L127 WeakPolarHBondContact O-CG 3.42Å; E123-L127 PolarHBondContact O-N 3.38Å |
| 124 | I | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.9 | -49.3 | 175.9 | -71.1 | 178 | 0 | 0 | 0 | 109.9 | L76 V81 A84 V85 L88 F116 H119 V121 S126 L127 A128 | L76-I124 HydrophobicContact CD1-CD1 3.95Å; V81-I124 HydrophobicContact CB-CD1 4.3Å; V81-I124 HydrophobicContact CG1-CD1 3.99Å; V81-I124 HydrophobicContact CG1-CG1 4.4Å; V81-I124 HydrophobicContact CG2-CD1 4.11Å; A84-I124 HydrophobicContact CB-CD1 3.99Å; A84-I124 HydrophobicContact CB-CG1 4.38Å; V85-I124 HydrophobicContact CG2-CG1 4.07Å; L88-I124 HydrophobicContact CD1-CG2 4.08Å; F116-I124 HydrophobicContact CB-CG2 4.01Å; F116-I124 HydrophobicContact CD1-CG2 3.73Å; F116-I124 HydrophobicContact CG-CG2 4.37Å; H119-I124 HydrophobicContact CB-CB 4.21Å; H119-I124 HydrophobicContact CB-CG2 3.68Å; V121-I124 HydrophobicContact CB-CB 4.29Å; V121-I124 HydrophobicContact CB-CD1 4.13Å; V121-I124 HydrophobicContact CB-CG1 4.24Å; V121-I124 HydrophobicContact CG1-CB 4.49Å; V121-I124 HydrophobicContact CG1-CD1 4.39Å; V121-I124 HydrophobicContact CG1-CG1 4.18Å; V121-I124 HydrophobicContact CG2-CD1 4.48Å; V121-I124 PolarHBondContact O-N 3.31Å; I124-S126 PolarHBondContact O-N 2.74Å; I124-L127 PolarHBondContact O-N 2.85Å; I124-A128 VanDerWaalsContact O-CB 3.3Å; I124-A128 WeakPolarHBondContact O-CB 3.24Å; I124-A128 PolarHBondContact O-N 3.22Å |
| 125 | R | 95.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 6% | 0.057 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 178.6 | 176.4 | 162.4 | 65.7 | -172.5 | 8.6 | 112.5 | F116 V117 V121 E123 L127 A128 L129 D161 S163 S167 | F116-R125 VanDerWaalsContact O-CA 3.31Å; F116-R125 WeakPolarHBondContact O-CA 3.5Å; V117-R125 WeakPolarHBondContact O-CD 3.26Å; V117-R125 WeakPolarHBondContact O-CG 3.37Å; V121-R125 PolarHBondContact O-N 2.87Å; V121-R125 VanDerWaalsContact O-N 3.09Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.18Å; R125-L127 PolarHBondContact O-N 3.48Å; R125-A128 PolarHBondContact O-N 3.07Å; R125-L129 HydrophobicContact CG-CD1 4.04Å; R125-L129 WeakPolarHBondContact O-CB 3.43Å; R125-L129 WeakPolarHBondContact O-CD1 3.4Å; R125-L129 VanDerWaalsContact O-CG 3.26Å; R125-L129 WeakPolarHBondContact O-CG 3.31Å; R125-L129 PolarHBondContact O-N 3.09Å; R125-D161 IonicContact CZ-OD2 3.35Å; R125-D161 IonicContact NH1-OD2 2.69Å; R125-D161 PolarHBondContact NH1-OD2 3.28Å; R125-D161 IonicContact NH2-OD2 3.47Å; R125-D161 PolarHBondContact NH2-OD2 3.02Å; R125-S163 PolarHBondContact NH2-OG 2.87Å; R125-S167 PolarHBondContact NE-OG 3.45Å |
| 126 | S | 96.1 | Very high | 96.1 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 178.1 | 179.8 | 0 | 0 | 0 | 0 | 112.4 | K122 E123 I124 S130 K170 | K122-S126 WeakPolarHBondContact O-CB 3.36Å; K122-S126 PolarHBondContact O-N 3.38Å; E123-S126 PolarHBondContact O-N 3.21Å; I124-S126 PolarHBondContact O-N 2.74Å; S126-S130 PolarHBondContact O-N 3.23Å; S126-S130 VanDerWaalsContact O-N 3.15Å; S126-S130 PolarHBondContact O-OG 3.46Å; S126-K170 WeakPolarHBondContact O-CD 3.39Å; S126-K170 PolarHBondContact O-NZ 2.91Å; S126-K170 WeakPolarHBondContact OG-CD 3.48Å; S126-K170 VanDerWaalsContact OG-CE 3.22Å; S126-K170 WeakPolarHBondContact OG-CE 3.42Å; S126-K170 PolarHBondContact OG-NZ 3.49Å |
| 127 | L | 97.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 30 Ų | 30 | 14% | 0.141 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.4 | -40.8 | 178.4 | -70.1 | 176.6 | 0 | 0 | 0 | 112.2 | V85 L88 N89 E123 I124 R125 L129 S130 L131 | V85-L127 HydrophobicContact CB-CD1 4.19Å; V85-L127 HydrophobicContact CG1-CD1 3.72Å; V85-L127 HydrophobicContact CG2-CD1 4.14Å; L88-L127 HydrophobicContact CB-CB 4.05Å; L88-L127 HydrophobicContact CD1-CB 4Å; N89-L127 VanDerWaalsContact OD1-CD2 3.24Å; N89-L127 WeakPolarHBondContact OD1-CD2 3.48Å; E123-L127 HydrophobicContact CG-CD1 4.19Å; E123-L127 WeakPolarHBondContact O-CG 3.42Å; E123-L127 PolarHBondContact O-N 3.38Å; I124-L127 PolarHBondContact O-N 2.85Å; R125-L127 PolarHBondContact O-N 3.48Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.19Å; L127-S130 WeakPolarHBondContact O-CB 2.97Å; L127-S130 PolarHBondContact O-N 3.43Å; L127-L131 PolarHBondContact O-N 2.91Å |
| 128 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L88 F116 V117 I124 R125 S130 L131 V132 | L88-A128 HydrophobicContact CD1-CB 4.32Å; L88-A128 HydrophobicContact CD2-CB 4.26Å; F116-A128 HydrophobicContact CB-CB 3.56Å; V117-A128 HydrophobicContact CG2-CB 3.79Å; I124-A128 VanDerWaalsContact O-CB 3.3Å; I124-A128 WeakPolarHBondContact O-CB 3.24Å; I124-A128 PolarHBondContact O-N 3.22Å; R125-A128 PolarHBondContact O-N 3.07Å; A128-S130 PolarHBondContact O-N 2.91Å; A128-L131 PolarHBondContact O-N 2.71Å; A128-V132 WeakPolarHBondContact O-CG2 3.25Å; A128-V132 PolarHBondContact O-N 3.08Å |
| 129 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 174.4 | -71.9 | 166 | 0 | 0 | 0 | 112.4 | V117 R125 L127 L131 V132 C133 L155 T158 S167 K170 A174 | V117-L129 HydrophobicContact CG1-CD2 3.62Å; V117-L129 HydrophobicContact CG1-CG 4.22Å; V117-L129 HydrophobicContact CG2-CD2 4.17Å; V117-L129 HydrophobicContact CG2-CG 4.39Å; R125-L129 HydrophobicContact CG-CD1 4.04Å; R125-L129 WeakPolarHBondContact O-CB 3.43Å; R125-L129 WeakPolarHBondContact O-CD1 3.4Å; R125-L129 VanDerWaalsContact O-CG 3.26Å; R125-L129 WeakPolarHBondContact O-CG 3.31Å; R125-L129 PolarHBondContact O-N 3.09Å; L127-L129 VanDerWaalsContact C-N 3.33Å; L127-L129 PolarHBondContact O-N 3.19Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-L131 PolarHBondContact O-N 3.01Å; L129-V132 WeakPolarHBondContact O-CB 3.46Å; L129-V132 PolarHBondContact O-N 3.45Å; L129-C133 PolarHBondContact O-N 3.36Å; L129-C133 PolarHBondContact O-SG 3.41Å; L129-L155 HydrophobicContact CD2-CD2 3.49Å; L129-L155 VanDerWaalsContact CD2-CD2 3.49Å; L129-T158 HydrophobicContact CD1-CG2 3.8Å; L129-T158 HydrophobicContact CD2-CG2 4.14Å; L129-T158 HydrophobicContact CG-CG2 4.46Å; L129-S167 WeakPolarHBondContact CD1-O 3.47Å; L129-K170 HydrophobicContact CB-CB 3.76Å; L129-K170 HydrophobicContact CB-CD 4.44Å; L129-K170 HydrophobicContact CD1-CB 3.81Å; L129-K170 HydrophobicContact CG-CB 4.41Å; L129-A174 HydrophobicContact CD2-CB 4.3Å |
| 130 | S | 97.5 | Very high | 96.2 | Very high | 38 Ų | 38 | 46 Ų | 46 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 174 | -80.1 | 0 | 0 | 0 | 0 | 112.5 | S126 L127 A128 C133 A134 K170 | S126-S130 PolarHBondContact O-N 3.23Å; S126-S130 VanDerWaalsContact O-N 3.15Å; S126-S130 PolarHBondContact O-OG 3.46Å; L127-S130 WeakPolarHBondContact O-CB 2.97Å; L127-S130 PolarHBondContact O-N 3.43Å; A128-S130 PolarHBondContact O-N 2.91Å; S130-C133 WeakPolarHBondContact O-CB 3.34Å; S130-C133 PolarHBondContact O-N 3.32Å; S130-A134 PolarHBondContact O-N 3.32Å; S130-K170 WeakPolarHBondContact OG-CE 3.39Å; S130-K170 PolarHBondContact OG-NZ 3.14Å |
| 131 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.3 | 177.8 | 57.1 | 0 | 0 | 0 | 111.5 | L88 L91 L113 L127 A128 L129 C133 A134 L135 | L88-L131 HydrophobicContact CD2-CD2 3.89Å; L91-L131 HydrophobicContact CB-CD1 3.91Å; L91-L131 HydrophobicContact CB-CD2 3.75Å; L91-L131 HydrophobicContact CD1-CD2 4.03Å; L113-L131 HydrophobicContact CD1-CD2 3.96Å; L113-L131 HydrophobicContact CD1-CG 4Å; L113-L131 HydrophobicContact CD2-CD2 3.8Å; L127-L131 PolarHBondContact O-N 2.91Å; A128-L131 PolarHBondContact O-N 2.71Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-L131 PolarHBondContact O-N 3.01Å; L131-C133 VanDerWaalsContact C-N 3.33Å; L131-C133 PolarHBondContact O-N 3.06Å; L131-A134 PolarHBondContact O-N 2.88Å; L131-L135 HydrophobicContact CD1-CD1 3.91Å; L131-L135 HydrophobicContact CD1-CG 3.99Å; L131-L135 HydrophobicContact CG-CD1 3.83Å; L131-L135 HydrophobicContact CG-CG 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 VanDerWaalsContact O-CG 3.27Å; L131-L135 WeakPolarHBondContact O-CG 3.24Å; L131-L135 PolarHBondContact O-N 3.28Å |
| 132 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.8 | -48.6 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | L113 V117 A128 L129 A134 L135 V136 F146 F151 L155 A174 | L113-V132 HydrophobicContact CD1-CG2 4.01Å; V117-V132 HydrophobicContact CG2-CG2 4.02Å; A128-V132 WeakPolarHBondContact O-CG2 3.25Å; A128-V132 PolarHBondContact O-N 3.08Å; L129-V132 WeakPolarHBondContact O-CB 3.46Å; L129-V132 PolarHBondContact O-N 3.45Å; V132-A134 PolarHBondContact O-N 3.34Å; V132-L135 PolarHBondContact O-N 3.48Å; V132-V136 HydrophobicContact CG1-CG1 4.47Å; V132-V136 VanDerWaalsContact O-CG2 3.31Å; V132-V136 WeakPolarHBondContact O-CG2 3.41Å; V132-V136 PolarHBondContact O-N 3.04Å; V132-F146 HydrophobicContact CB-CE1 4.45Å; V132-F146 HydrophobicContact CG1-CD1 4.08Å; V132-F146 HydrophobicContact CG1-CE1 4.14Å; V132-F146 HydrophobicContact CG2-CE1 3.95Å; V132-F151 HydrophobicContact CG1-CD1 4.23Å; V132-F151 HydrophobicContact CG1-CE1 4.46Å; V132-F151 HydrophobicContact CG2-CD1 4.17Å; V132-F151 HydrophobicContact CG2-CE1 3.61Å; V132-F151 HydrophobicContact CG2-CZ 4.45Å; V132-L155 HydrophobicContact CG1-CD1 4.43Å; V132-A174 HydrophobicContact CB-CB 4.5Å; V132-A174 HydrophobicContact CG1-CB 4.17Å |
| 133 | C | 97.8 | Very high | 96.8 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.081 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.7 | -51.5 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | L129 S130 L131 L135 V136 Q137 A174 | L129-C133 PolarHBondContact O-N 3.36Å; L129-C133 PolarHBondContact O-SG 3.41Å; S130-C133 WeakPolarHBondContact O-CB 3.34Å; S130-C133 PolarHBondContact O-N 3.32Å; L131-C133 VanDerWaalsContact C-N 3.33Å; L131-C133 PolarHBondContact O-N 3.06Å; C133-L135 PolarHBondContact O-N 3.36Å; C133-V136 PolarHBondContact O-N 2.94Å; C133-Q137 VanDerWaalsContact O-CB 3.23Å; C133-Q137 WeakPolarHBondContact O-CB 3.42Å; C133-Q137 PolarHBondContact O-N 3.39Å; C133-A174 WeakPolarHBondContact SG-CA 3.42Å; C133-A174 VanDerWaalsContact SG-CB 3.59Å |
| 134 | A | 97.2 | Very high | 96.9 | Very high | 27 Ų | 27 | 33.7 Ų | 33.7 | 22% | 0.223 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.4 | -31.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C95 Q101 S130 L131 V132 | C95-A134 HydrophobicContact CB-CB 3.98Å; Q101-A134 WeakPolarHBondContact CG-O 3.28Å; S130-A134 PolarHBondContact O-N 3.32Å; L131-A134 PolarHBondContact O-N 2.88Å; V132-A134 PolarHBondContact O-N 3.34Å |
| 135 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -76.1 | -39.3 | 178.3 | -71.6 | 168.7 | 0 | 0 | 0 | 112.7 | Q101 F104 L113 L131 V132 C133 C142 F146 | Q101-L135 HydrophobicContact CB-CD2 4.02Å; Q101-L135 HydrophobicContact CG-CD2 4.04Å; F104-L135 HydrophobicContact CB-CD2 3.83Å; F104-L135 HydrophobicContact CD1-CD1 3.7Å; F104-L135 HydrophobicContact CD1-CD2 3.88Å; F104-L135 HydrophobicContact CD1-CG 4.45Å; F104-L135 HydrophobicContact CD2-CD2 4.36Å; F104-L135 HydrophobicContact CE1-CD1 3.6Å; F104-L135 HydrophobicContact CE2-CD1 4.48Å; F104-L135 HydrophobicContact CG-CD1 4.21Å; F104-L135 HydrophobicContact CG-CD2 3.76Å; F104-L135 HydrophobicContact CZ-CD1 4.02Å; L113-L135 HydrophobicContact CD1-CD1 3.77Å; L131-L135 HydrophobicContact CD1-CD1 3.91Å; L131-L135 HydrophobicContact CD1-CG 3.99Å; L131-L135 HydrophobicContact CG-CD1 3.83Å; L131-L135 HydrophobicContact CG-CG 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.4Å; L131-L135 VanDerWaalsContact O-CG 3.27Å; L131-L135 WeakPolarHBondContact O-CG 3.24Å; L131-L135 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 3.48Å; C133-L135 PolarHBondContact O-N 3.36Å; L135-C142 VanDerWaalsContact O-CB 3.23Å; L135-C142 WeakPolarHBondContact O-CB 3.31Å; L135-F146 HydrophobicContact CB-CE2 3.99Å; L135-F146 HydrophobicContact CB-CZ 4.14Å; L135-F146 HydrophobicContact CD1-CE2 4.08Å; L135-F146 HydrophobicContact CD1-CZ 3.59Å |
| 136 | V | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -100.4 | -22.2 | -169.6 | -53.3 | 0 | 0 | 0 | 0 | 114.7 | V132 C133 N138 R139 Q143 F146 C177 L178 | V132-V136 HydrophobicContact CG1-CG1 4.47Å; V132-V136 VanDerWaalsContact O-CG2 3.31Å; V132-V136 WeakPolarHBondContact O-CG2 3.41Å; V132-V136 PolarHBondContact O-N 3.04Å; C133-V136 PolarHBondContact O-N 2.94Å; V136-N138 PolarHBondContact O-N 3.27Å; V136-N138 VanDerWaalsContact O-N 3.15Å; V136-R139 PolarHBondContact O-N 2.83Å; V136-Q143 HydrophobicContact CB-CG 3.97Å; V136-Q143 VanDerWaalsContact O-CG 3.29Å; V136-Q143 WeakPolarHBondContact O-CG 3.47Å; V136-F146 HydrophobicContact CG1-CB 3.93Å; V136-F146 HydrophobicContact CG1-CD1 4.16Å; V136-F146 HydrophobicContact CG1-CD2 3.49Å; V136-F146 VanDerWaalsContact CG1-CD2 3.49Å; V136-F146 HydrophobicContact CG1-CE2 4.03Å; V136-F146 HydrophobicContact CG1-CG 3.57Å; V136-C177 HydrophobicContact CG2-CB 3.71Å; V136-L178 HydrophobicContact CG1-CD1 4.38Å; V136-L178 HydrophobicContact CG2-CB 4.4Å |
| 137 | Q | 95.2 | Very high | 97.1 | Very high | 97 Ų | 97 | 33.3 Ų | 33.3 | 45% | 0.453 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 121.2 | -172.6 | -175.2 | 176.9 | 12.9 | 0 | 0 | 112 | C133 R139 C177 | C133-Q137 VanDerWaalsContact O-CB 3.23Å; C133-Q137 WeakPolarHBondContact O-CB 3.42Å; C133-Q137 PolarHBondContact O-N 3.39Å; Q137-R139 WeakPolarHBondContact O-CG 3.36Å; Q137-R139 PolarHBondContact O-N 3.24Å; Q137-C177 HydrophobicContact CB-CB 4.42Å |
| 138 | N | 93.4 | Very high | 97 | Very high | 115 Ų | 115 | 34.5 Ų | 34.5 | 62% | 0.615 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.2 | 179.5 | -59.9 | -38.8 | 0 | 0 | 0 | 114.5 | V136 | V136-N138 PolarHBondContact O-N 3.27Å; V136-N138 VanDerWaalsContact O-N 3.15Å |
| 139 | R | 94.8 | Very high | 96.9 | Very high | 78 Ų | 78 | 35 Ų | 35 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | trans | -133.1 | 89.7 | -175.4 | -70.4 | 171.4 | -176.2 | -119.7 | 8.1 | 112.5 | Q101 V136 Q137 A141 C142 Q143 | Q101-R139 VanDerWaalsContact CD-NH1 3.26Å; V136-R139 PolarHBondContact O-N 2.83Å; Q137-R139 WeakPolarHBondContact O-CG 3.36Å; Q137-R139 PolarHBondContact O-N 3.24Å; R139-A141 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 3.22Å; R139-C142 HydrophobicContact CB-CB 3.92Å; R139-C142 WeakPolarHBondContact O-CB 3.03Å; R139-C142 PolarHBondContact O-N 3.08Å; R139-Q143 WeakPolarHBondContact O-CG 3.48Å; R139-Q143 PolarHBondContact O-N 2.88Å | ||
| 140 | R | 96.6 | Very high | 96.8 | Very high | 169 Ų | 169 | 35.7 Ų | 35.7 | 64% | 0.638 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -50.9 | -44 | -177.1 | -69 | -174.3 | -177.8 | 161.3 | 3.3 | 114.8 | C142 Q143 N144 G181 N182 | R140-C142 VanDerWaalsContact C-N 3.33Å; R140-C142 PolarHBondContact O-N 3.46Å; R140-Q143 VanDerWaalsContact CA-OE1 3.23Å; R140-Q143 PolarHBondContact O-N 3.24Å; R140-N144 WeakPolarHBondContact O-CB 3.48Å; R140-N144 PolarHBondContact O-N 3.44Å; R140-N144 PolarHBondContact O-OD1 3.26Å; R140-G181 PolarHBondContact NE-O 3.2Å; R140-G181 PolarHBondContact NH2-O 2.91Å; R140-N182 HydrophobicContact CG-CB 4.42Å |
| 141 | A | 95.8 | Very high | 96.8 | Very high | 73 Ų | 73 | 33.9 Ų | 33.9 | 60% | 0.603 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -63.1 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R139 A145 | R139-A141 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 3.22Å; A141-A145 PolarHBondContact O-N 2.59Å; A141-A145 VanDerWaalsContact O-N 3.07Å |
| 142 | C | 97.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.8 | -43.5 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | L135 R139 R140 N144 A145 F146 | L135-C142 VanDerWaalsContact O-CB 3.23Å; L135-C142 WeakPolarHBondContact O-CB 3.31Å; R139-C142 HydrophobicContact CB-CB 3.92Å; R139-C142 WeakPolarHBondContact O-CB 3.03Å; R139-C142 PolarHBondContact O-N 3.08Å; R140-C142 VanDerWaalsContact C-N 3.33Å; R140-C142 PolarHBondContact O-N 3.46Å; C142-N144 VanDerWaalsContact C-N 3.28Å; C142-N144 PolarHBondContact O-N 3.39Å; C142-A145 WeakPolarHBondContact O-CB 3.41Å; C142-A145 PolarHBondContact O-N 3.46Å; C142-A145 VanDerWaalsContact O-N 3.12Å; C142-F146 WeakPolarHBondContact O-CD2 3.44Å; C142-F146 PolarHBondContact O-N 3.29Å |
| 143 | Q | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 173.8 | -68.7 | 167.7 | -33.7 | 0 | 0 | 111.5 | V136 R139 R140 F146 A147 C177 L178 F180 N182 V185 | V136-Q143 HydrophobicContact CB-CG 3.97Å; V136-Q143 VanDerWaalsContact O-CG 3.29Å; V136-Q143 WeakPolarHBondContact O-CG 3.47Å; R139-Q143 WeakPolarHBondContact O-CG 3.48Å; R139-Q143 PolarHBondContact O-N 2.88Å; R140-Q143 VanDerWaalsContact CA-OE1 3.23Å; R140-Q143 PolarHBondContact O-N 3.24Å; Q143-F146 PolarHBondContact O-N 3.33Å; Q143-A147 WeakPolarHBondContact O-CB 3.19Å; Q143-A147 PolarHBondContact O-N 3.3Å; Q143-C177 PolarHBondContact NE2-O 3.29Å; Q143-L178 HydrophobicContact CB-CD1 4.13Å; Q143-L178 WeakPolarHBondContact CB-O 3.49Å; Q143-L178 HydrophobicContact CG-CD1 4.48Å; Q143-L178 VanDerWaalsContact CG-O 3.31Å; Q143-L178 WeakPolarHBondContact CG-O 3.29Å; Q143-L178 PolarHBondContact NE2-O 3.21Å; Q143-L178 VanDerWaalsContact O-CD1 3.29Å; Q143-L178 WeakPolarHBondContact O-CD1 3.45Å; Q143-F180 PolarHBondContact NE2-O 3.34Å; Q143-N182 VanDerWaalsContact OE1-CB 3.27Å; Q143-N182 PolarHBondContact OE1-ND2 3Å; Q143-V185 HydrophobicContact CB-CG2 4.46Å |
| 144 | N | 97.6 | Very high | 96.5 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 176.5 | -68.8 | -7.9 | 0 | 0 | 0 | 111.6 | F16 V20 R140 C142 F146 A147 L148 N182 | F16-N144 HydrophobicContact CZ-CB 4.36Å; V20-N144 HydrophobicContact CG1-CB 4.47Å; R140-N144 WeakPolarHBondContact O-CB 3.48Å; R140-N144 PolarHBondContact O-N 3.44Å; R140-N144 PolarHBondContact O-OD1 3.26Å; C142-N144 VanDerWaalsContact C-N 3.28Å; C142-N144 PolarHBondContact O-N 3.39Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 PolarHBondContact O-N 2.78Å; N144-A147 PolarHBondContact O-N 2.78Å; N144-L148 WeakPolarHBondContact O-CB 3.48Å; N144-L148 VanDerWaalsContact O-CG 3.26Å; N144-L148 WeakPolarHBondContact O-CG 3.33Å; N144-L148 PolarHBondContact O-N 2.9Å; N144-N182 PolarHBondContact OD1-ND2 3.47Å |
| 145 | A | 96.7 | Very high | 96.5 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C105 A141 C142 L148 A149 | C105-A145 HydrophobicContact CB-CB 3.98Å; A141-A145 PolarHBondContact O-N 2.59Å; A141-A145 VanDerWaalsContact O-N 3.07Å; C142-A145 WeakPolarHBondContact O-CB 3.41Å; C142-A145 PolarHBondContact O-N 3.46Å; C142-A145 VanDerWaalsContact O-N 3.12Å; A145-L148 PolarHBondContact O-N 3.36Å; A145-A149 PolarHBondContact O-N 2.95Å |
| 146 | F | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.5 | -38.3 | 176.4 | -87.4 | -99.1 | 0 | 0 | 0 | 112.6 | F104 A110 L113 V132 L135 V136 C142 Q143 N144 L148 A149 H150 F151 L178 | F104-F146 HydrophobicContact CE1-CZ 4.21Å; A110-F146 HydrophobicContact CB-CD1 4.38Å; A110-F146 HydrophobicContact CB-CD2 3.92Å; A110-F146 HydrophobicContact CB-CE1 4.26Å; A110-F146 HydrophobicContact CB-CE2 3.83Å; A110-F146 HydrophobicContact CB-CG 4.21Å; A110-F146 HydrophobicContact CB-CZ 3.99Å; L113-F146 HydrophobicContact CD1-CE1 4.06Å; L113-F146 HydrophobicContact CD1-CZ 3.99Å; V132-F146 HydrophobicContact CB-CE1 4.45Å; V132-F146 HydrophobicContact CG1-CD1 4.08Å; V132-F146 HydrophobicContact CG1-CE1 4.14Å; V132-F146 HydrophobicContact CG2-CE1 3.95Å; L135-F146 HydrophobicContact CB-CE2 3.99Å; L135-F146 HydrophobicContact CB-CZ 4.14Å; L135-F146 HydrophobicContact CD1-CE2 4.08Å; L135-F146 HydrophobicContact CD1-CZ 3.59Å; V136-F146 HydrophobicContact CG1-CB 3.93Å; V136-F146 HydrophobicContact CG1-CD1 4.16Å; V136-F146 HydrophobicContact CG1-CD2 3.49Å; V136-F146 VanDerWaalsContact CG1-CD2 3.49Å; V136-F146 HydrophobicContact CG1-CE2 4.03Å; V136-F146 HydrophobicContact CG1-CG 3.57Å; C142-F146 WeakPolarHBondContact O-CD2 3.44Å; C142-F146 PolarHBondContact O-N 3.29Å; Q143-F146 PolarHBondContact O-N 3.33Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 PolarHBondContact O-N 2.78Å; F146-L148 VanDerWaalsContact C-N 3.32Å; F146-L148 PolarHBondContact O-N 3.43Å; F146-A149 CarbonylContact O-C 3.49Å; F146-A149 WeakPolarHBondContact O-CA 3.16Å; F146-A149 PolarHBondContact O-N 2.77Å; F146-A149 VanDerWaalsContact O-N 3.14Å; F146-H150 PolarHBondContact O-N 3.4Å; F146-F151 HydrophobicContact CB-CB 4.28Å; F146-F151 HydrophobicContact CB-CD2 4.34Å; F146-F151 HydrophobicContact CB-CG 4.35Å; F146-F151 HydrophobicContact CD1-CB 4.38Å; F146-F151 AromaticContact CD1-CD1 3.82Å; F146-F151 HydrophobicContact CD1-CD1 3.82Å; F146-F151 AromaticContact CD1-CD2 3.59Å; F146-F151 HydrophobicContact CD1-CD2 3.59Å; F146-F151 AromaticContact CD1-CE1 3.95Å; F146-F151 HydrophobicContact CD1-CE1 3.95Å; F146-F151 AromaticContact CD1-CE2 3.73Å; F146-F151 HydrophobicContact CD1-CE2 3.73Å; F146-F151 AromaticContact CD1-CG 3.64Å; F146-F151 HydrophobicContact CD1-CG 3.64Å; F146-F151 AromaticContact CD1-CZ 3.91Å; F146-F151 HydrophobicContact CD1-CZ 3.91Å; F146-F151 HydrophobicContact CE1-CD1 4.33Å; F146-F151 HydrophobicContact CE1-CD2 4.31Å; F146-F151 HydrophobicContact CE1-CE1 4.01Å; F146-F151 AromaticContact CE1-CE2 3.98Å; F146-F151 HydrophobicContact CE1-CE2 3.98Å; F146-F151 HydrophobicContact CE1-CG 4.48Å; F146-F151 AromaticContact CE1-CZ 3.83Å; F146-F151 HydrophobicContact CE1-CZ 3.83Å; F146-F151 HydrophobicContact CG-CD2 4.37Å; F146-F151 HydrophobicContact CG-CG 4.49Å; F146-F151 WeakPolarHBondContact O-CB 3.43Å; F146-F151 WeakPolarHBondContact O-CD2 3.34Å; F146-F151 PolarHBondContact O-N 3.27Å; F146-L178 HydrophobicContact CB-CD1 3.76Å |
| 147 | A | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F16 Q143 N144 A149 H150 V152 V185 L188 | F16-A147 HydrophobicContact CE1-CB 3.71Å; F16-A147 HydrophobicContact CE2-CB 4.09Å; F16-A147 HydrophobicContact CZ-CB 3.44Å; F16-A147 VanDerWaalsContact CZ-CB 3.44Å; Q143-A147 WeakPolarHBondContact O-CB 3.19Å; Q143-A147 PolarHBondContact O-N 3.3Å; N144-A147 PolarHBondContact O-N 2.78Å; A147-A149 VanDerWaalsContact C-N 3.28Å; A147-A149 PolarHBondContact O-N 2.97Å; A147-H150 PolarHBondContact O-N 3.33Å; A147-V152 HydrophobicContact CB-CG2 4.44Å; A147-V185 HydrophobicContact CB-CG1 4.28Å; A147-V185 HydrophobicContact CB-CG2 3.93Å; A147-L188 HydrophobicContact CB-CD2 4.23Å |
| 148 | L | 95.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 29.8 Ų | 29.8 | 27% | 0.272 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.1 | -31 | 171.1 | -72.3 | 168.8 | 0 | 0 | 0 | 112.7 | F13 F16 A17 V20 I22 N144 A145 F146 H150 | F13-L148 HydrophobicContact CE2-CD2 4.33Å; F13-L148 HydrophobicContact CZ-CD2 4.28Å; F16-L148 HydrophobicContact CD1-CD2 4.41Å; F16-L148 HydrophobicContact CE1-CD2 3.75Å; F16-L148 HydrophobicContact CE1-CG 3.84Å; F16-L148 HydrophobicContact CZ-CG 4.36Å; A17-L148 HydrophobicContact CB-CD2 4.34Å; V20-L148 HydrophobicContact CG2-CD2 4.48Å; I22-L148 HydrophobicContact CD1-CD1 3.41Å; I22-L148 VanDerWaalsContact CD1-CD1 3.41Å; I22-L148 HydrophobicContact CD1-CD2 3.52Å; I22-L148 HydrophobicContact CD1-CG 4.12Å; N144-L148 WeakPolarHBondContact O-CB 3.48Å; N144-L148 VanDerWaalsContact O-CG 3.26Å; N144-L148 WeakPolarHBondContact O-CG 3.33Å; N144-L148 PolarHBondContact O-N 2.9Å; A145-L148 PolarHBondContact O-N 3.36Å; F146-L148 VanDerWaalsContact C-N 3.32Å; F146-L148 PolarHBondContact O-N 3.43Å; L148-H150 PolarHBondContact O-N 3.41Å |
| 149 | A | 94.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 18.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A110 P111 A145 F146 A147 F151 | A110-A149 HydrophobicContact CB-CB 3.96Å; P111-A149 HydrophobicContact CG-CB 3.91Å; A145-A149 PolarHBondContact O-N 2.95Å; F146-A149 CarbonylContact O-C 3.49Å; F146-A149 WeakPolarHBondContact O-CA 3.16Å; F146-A149 PolarHBondContact O-N 2.77Å; F146-A149 VanDerWaalsContact O-N 3.14Å; A147-A149 VanDerWaalsContact C-N 3.28Å; A147-A149 PolarHBondContact O-N 2.97Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 HydrophobicContact CB-CD2 3.91Å; A149-F151 HydrophobicContact CB-CE2 4.03Å; A149-F151 WeakPolarHBondContact O-CD2 3.28Å; A149-F151 PolarHBondContact O-N 3.22Å |
| 150 | H | 95.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 22 Ų | 22 | 7% | 0.069 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 26.3 | 174.8 | -50.6 | -62.7 | 0 | 0 | 0 | 115.8 | Y9 W10 F13 I31 F146 A147 L148 V152 P153 I154 | Y9-H150 AromaticContact CE1-ND1 3.71Å; Y9-H150 AromaticContact CZ-ND1 3.69Å; Y9-H150 PolarHBondContact OH-ND1 3.29Å; W10-H150 AromaticContact CH2-CE1 3.98Å; W10-H150 AromaticContact CZ3-CE1 3.64Å; F13-H150 AromaticContact CD2-ND1 3.95Å; F13-H150 AromaticContact CE1-CE1 3.66Å; F13-H150 AromaticContact CE2-CE1 3.55Å; F13-H150 AromaticContact CE2-ND1 3.64Å; F13-H150 AromaticContact CZ-CE1 3.32Å; F13-H150 WeakPolarHBondContact CZ-CE1 3.22Å; F13-H150 AromaticContact CZ-ND1 3.92Å; I31-H150 HydrophobicContact CD1-CB 4.18Å; I31-H150 HydrophobicContact CG1-CB 4.39Å; I31-H150 HydrophobicContact CG2-CB 3.71Å; F146-H150 PolarHBondContact O-N 3.4Å; A147-H150 PolarHBondContact O-N 3.33Å; L148-H150 PolarHBondContact O-N 3.41Å; H150-V152 VanDerWaalsContact C-N 3.27Å; H150-V152 PolarHBondContact O-N 3.24Å; H150-P153 WeakPolarHBondContact O-CD 3.44Å; H150-P153 WeakPolarHBondContact O-CG 3.26Å; H150-I154 HydrophobicContact CB-CD1 4.44Å; H150-I154 WeakPolarHBondContact O-CD1 3.29Å; H150-I154 VanDerWaalsContact O-CG1 3.31Å; H150-I154 WeakPolarHBondContact O-CG1 3.42Å; H150-I154 PolarHBondContact O-N 3.48Å |
| 151 | F | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.4 | -22.7 | -179.5 | -87.5 | -104.3 | 0 | 0 | 0 | 114.4 | A110 L113 V114 V117 V132 F146 A149 I154 L155 L178 | A110-F151 WeakPolarHBondContact O-CE2 3.38Å; L113-F151 HydrophobicContact CB-CE1 4.44Å; L113-F151 HydrophobicContact CB-CZ 3.84Å; V114-F151 HydrophobicContact CG2-CD2 4.44Å; V114-F151 HydrophobicContact CG2-CE2 3.6Å; V114-F151 HydrophobicContact CG2-CZ 3.81Å; V117-F151 HydrophobicContact CG2-CE1 4.11Å; V132-F151 HydrophobicContact CG1-CD1 4.23Å; V132-F151 HydrophobicContact CG1-CE1 4.46Å; V132-F151 HydrophobicContact CG2-CD1 4.17Å; V132-F151 HydrophobicContact CG2-CE1 3.61Å; V132-F151 HydrophobicContact CG2-CZ 4.45Å; F146-F151 HydrophobicContact CB-CB 4.28Å; F146-F151 HydrophobicContact CB-CD2 4.34Å; F146-F151 HydrophobicContact CB-CG 4.35Å; F146-F151 HydrophobicContact CD1-CB 4.38Å; F146-F151 AromaticContact CD1-CD1 3.82Å; F146-F151 HydrophobicContact CD1-CD1 3.82Å; F146-F151 AromaticContact CD1-CD2 3.59Å; F146-F151 HydrophobicContact CD1-CD2 3.59Å; F146-F151 AromaticContact CD1-CE1 3.95Å; F146-F151 HydrophobicContact CD1-CE1 3.95Å; F146-F151 AromaticContact CD1-CE2 3.73Å; F146-F151 HydrophobicContact CD1-CE2 3.73Å; F146-F151 AromaticContact CD1-CG 3.64Å; F146-F151 HydrophobicContact CD1-CG 3.64Å; F146-F151 AromaticContact CD1-CZ 3.91Å; F146-F151 HydrophobicContact CD1-CZ 3.91Å; F146-F151 HydrophobicContact CE1-CD1 4.33Å; F146-F151 HydrophobicContact CE1-CD2 4.31Å; F146-F151 HydrophobicContact CE1-CE1 4.01Å; F146-F151 AromaticContact CE1-CE2 3.98Å; F146-F151 HydrophobicContact CE1-CE2 3.98Å; F146-F151 HydrophobicContact CE1-CG 4.48Å; F146-F151 AromaticContact CE1-CZ 3.83Å; F146-F151 HydrophobicContact CE1-CZ 3.83Å; F146-F151 HydrophobicContact CG-CD2 4.37Å; F146-F151 HydrophobicContact CG-CG 4.49Å; F146-F151 WeakPolarHBondContact O-CB 3.43Å; F146-F151 WeakPolarHBondContact O-CD2 3.34Å; F146-F151 PolarHBondContact O-N 3.27Å; A149-F151 VanDerWaalsContact C-N 3.31Å; A149-F151 HydrophobicContact CB-CD2 3.91Å; A149-F151 HydrophobicContact CB-CE2 4.03Å; A149-F151 WeakPolarHBondContact O-CD2 3.28Å; A149-F151 PolarHBondContact O-N 3.22Å; F151-I154 PolarHBondContact O-N 3.43Å; F151-L155 HydrophobicContact CB-CD1 4.18Å; F151-L155 HydrophobicContact CB-CG 4.4Å; F151-L155 HydrophobicContact CD1-CD1 4.3Å; F151-L155 HydrophobicContact CD1-CD2 4.34Å; F151-L155 HydrophobicContact CD1-CG 4.17Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.47Å; F151-L155 WeakPolarHBondContact O-CG 3.43Å; F151-L155 PolarHBondContact O-N 3.32Å; F151-L178 HydrophobicContact CB-CD2 3.8Å |
| 152 | V | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.3 | -58.7 | 178.4 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | A147 H150 I154 M156 L178 V185 L188 F189 | A147-V152 HydrophobicContact CB-CG2 4.44Å; H150-V152 VanDerWaalsContact C-N 3.27Å; H150-V152 PolarHBondContact O-N 3.24Å; V152-I154 PolarHBondContact O-N 3.43Å; V152-M156 HydrophobicContact CG1-CE 4.15Å; V152-M156 WeakPolarHBondContact O-CG 3.4Å; V152-M156 PolarHBondContact O-N 3.45Å; V152-M156 VanDerWaalsContact O-N 3.13Å; V152-L178 HydrophobicContact CG2-CD2 3.81Å; V152-V185 HydrophobicContact CG2-CG1 4.08Å; V152-L188 HydrophobicContact CB-CD2 4.35Å; V152-L188 HydrophobicContact CG1-CG 4.45Å; V152-L188 HydrophobicContact CG2-CD2 3.88Å; V152-L188 HydrophobicContact CG2-CG 4.26Å; V152-F189 HydrophobicContact CG1-CB 4.17Å; V152-F189 HydrophobicContact CG1-CD2 4.27Å |
| 153 | P | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.013 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70 | -30.5 | 178 | 31.5 | -40.2 | 0 | 0 | 0 | 112.9 | F3 P6 Y9 I31 H150 M156 H157 | F3-P153 WeakPolarHBondContact CE2-O 3.46Å; F3-P153 HydrophobicContact CZ-CB 3.81Å; F3-P153 HydrophobicContact CZ-CG 4.17Å; P6-P153 HydrophobicContact CG-CB 3.97Å; Y9-P153 HydrophobicContact CD2-CB 4.37Å; Y9-P153 HydrophobicContact CD2-CG 4Å; Y9-P153 HydrophobicContact CE1-CG 4.16Å; Y9-P153 HydrophobicContact CE2-CB 4.41Å; Y9-P153 HydrophobicContact CE2-CG 3.61Å; Y9-P153 HydrophobicContact CG-CG 4.46Å; I31-P153 HydrophobicContact CG2-CG 4.42Å; H150-P153 WeakPolarHBondContact O-CD 3.44Å; H150-P153 WeakPolarHBondContact O-CG 3.26Å; P153-M156 HydrophobicContact CB-CE 4.2Å; P153-M156 PolarHBondContact O-N 3.41Å; P153-H157 WeakPolarHBondContact O-CB 3.29Å; P153-H157 PolarHBondContact O-N 3.13Å |
| 154 | I | 96.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 175.5 | -67.4 | 167.6 | 0 | 0 | 0 | 111.8 | F3 I31 V114 V117 L118 H150 F151 V152 H157 T158 | F3-I154 HydrophobicContact CE2-CB 4.46Å; F3-I154 HydrophobicContact CE2-CG1 4.04Å; F3-I154 HydrophobicContact CZ-CG1 4.02Å; I31-I154 HydrophobicContact CG2-CD1 4.13Å; I31-I154 HydrophobicContact CG2-CG1 3.99Å; V114-I154 HydrophobicContact CB-CD1 4.36Å; V114-I154 HydrophobicContact CG1-CD1 3.79Å; V114-I154 HydrophobicContact CG2-CD1 3.7Å; V117-I154 HydrophobicContact CG1-CG2 3.94Å; L118-I154 HydrophobicContact CD1-CG2 4.4Å; L118-I154 HydrophobicContact CD2-CG2 4.16Å; L118-I154 HydrophobicContact CG-CG2 4.22Å; H150-I154 HydrophobicContact CB-CD1 4.44Å; H150-I154 WeakPolarHBondContact O-CD1 3.29Å; H150-I154 VanDerWaalsContact O-CG1 3.31Å; H150-I154 WeakPolarHBondContact O-CG1 3.42Å; H150-I154 PolarHBondContact O-N 3.48Å; F151-I154 PolarHBondContact O-N 3.43Å; V152-I154 PolarHBondContact O-N 3.43Å; I154-H157 PolarHBondContact O-N 2.96Å; I154-T158 WeakPolarHBondContact O-CB 3.26Å; I154-T158 PolarHBondContact O-N 3.33Å; I154-T158 PolarHBondContact O-OG1 3.06Å |
| 155 | L | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.2 | -34.7 | -180 | -65.3 | 173.3 | 0 | 0 | 0 | 111.6 | V117 L129 V132 F151 H157 T158 A159 A174 L175 L178 | V117-L155 HydrophobicContact CG1-CD2 4.31Å; L129-L155 HydrophobicContact CD2-CD2 3.49Å; L129-L155 VanDerWaalsContact CD2-CD2 3.49Å; V132-L155 HydrophobicContact CG1-CD1 4.43Å; F151-L155 HydrophobicContact CB-CD1 4.18Å; F151-L155 HydrophobicContact CB-CG 4.4Å; F151-L155 HydrophobicContact CD1-CD1 4.3Å; F151-L155 HydrophobicContact CD1-CD2 4.34Å; F151-L155 HydrophobicContact CD1-CG 4.17Å; F151-L155 VanDerWaalsContact O-CB 3.28Å; F151-L155 WeakPolarHBondContact O-CB 3.47Å; F151-L155 WeakPolarHBondContact O-CG 3.43Å; F151-L155 PolarHBondContact O-N 3.32Å; L155-H157 VanDerWaalsContact C-N 3.33Å; L155-H157 PolarHBondContact O-N 3.28Å; L155-T158 PolarHBondContact O-N 3.27Å; L155-A159 VanDerWaalsContact O-CB 3.29Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 2.84Å; L155-A174 HydrophobicContact CD1-CB 3.99Å; L155-A174 HydrophobicContact CD2-CB 3.79Å; L155-L175 HydrophobicContact CB-CB 3.97Å; L155-L175 HydrophobicContact CB-CD1 4.03Å; L155-L175 HydrophobicContact CB-CG 4.49Å; L155-L175 HydrophobicContact CD1-CB 4.39Å; L155-L178 HydrophobicContact CD1-CB 4.41Å; L155-L178 HydrophobicContact CD1-CD2 3.81Å |
| 156 | M | 95.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.02 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 170.2 | -73.5 | -168.2 | -62.9 | 0 | 0 | 112.1 | P6 V152 P153 S160 L175 F189 K197 | P6-M156 HydrophobicContact CG-CE 3.74Å; V152-M156 HydrophobicContact CG1-CE 4.15Å; V152-M156 WeakPolarHBondContact O-CG 3.4Å; V152-M156 PolarHBondContact O-N 3.45Å; V152-M156 VanDerWaalsContact O-N 3.13Å; P153-M156 HydrophobicContact CB-CE 4.2Å; P153-M156 PolarHBondContact O-N 3.41Å; M156-S160 PolarHBondContact O-N 3.39Å; M156-S160 PolarHBondContact O-OG 3.42Å; M156-L175 HydrophobicContact CG-CD1 4.37Å; M156-L175 HydrophobicContact CG-CD2 3.76Å; M156-F189 HydrophobicContact CG-CD2 4.41Å; M156-F189 HydrophobicContact CG-CE2 4.1Å; M156-F189 HydrophobicContact SD-CD2 3.96Å; M156-F189 HydrophobicContact SD-CE2 3.78Å; M156-K197 HydrophobicContact SD-CB 4.39Å; M156-K197 HydrophobicContact SD-CG 4.12Å |
| 157 | H | 94.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 19% | 0.19 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | 174.6 | 177.4 | 80.8 | 0 | 0 | 0 | 111.2 | F3 P153 I154 L155 A159 S160 D161 | F3-H157 HydrophobicContact CD2-CB 3.79Å; F3-H157 AromaticContact CD2-CD2 3.94Å; F3-H157 AromaticContact CD2-CG 3.68Å; F3-H157 HydrophobicContact CE2-CB 3.57Å; P153-H157 WeakPolarHBondContact O-CB 3.29Å; P153-H157 PolarHBondContact O-N 3.13Å; I154-H157 PolarHBondContact O-N 2.96Å; L155-H157 VanDerWaalsContact C-N 3.33Å; L155-H157 PolarHBondContact O-N 3.28Å; H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.04Å; H157-S160 CarbonylContact O-C 3.35Å; H157-S160 WeakPolarHBondContact O-CA 3.45Å; H157-S160 WeakPolarHBondContact O-CB 3.21Å; H157-S160 PolarHBondContact O-N 3.13Å; H157-D161 PolarHBondContact O-N 3.48Å |
| 158 | T | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | -178.7 | -52.3 | 0 | 0 | 0 | 0 | 112.3 | V117 L129 I154 L155 S160 D161 | V117-T158 HydrophobicContact CG1-CG2 4.31Å; L129-T158 HydrophobicContact CD1-CG2 3.8Å; L129-T158 HydrophobicContact CD2-CG2 4.14Å; L129-T158 HydrophobicContact CG-CG2 4.46Å; I154-T158 WeakPolarHBondContact O-CB 3.26Å; I154-T158 PolarHBondContact O-N 3.33Å; I154-T158 PolarHBondContact O-OG1 3.06Å; L155-T158 PolarHBondContact O-N 3.27Å; T158-S160 PolarHBondContact O-N 2.95Å; T158-D161 PolarHBondContact O-N 3.39Å |
| 159 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -24.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L155 H157 Q168 L172 F201 | L155-A159 VanDerWaalsContact O-CB 3.29Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 2.84Å; H157-A159 VanDerWaalsContact C-N 3.34Å; H157-A159 PolarHBondContact O-N 3.04Å; A159-Q168 WeakPolarHBondContact O-CG 3.49Å; A159-Q168 PolarHBondContact O-NE2 3.49Å; A159-L172 HydrophobicContact CB-CB 4.29Å; A159-F201 HydrophobicContact CB-CE1 4.29Å; A159-F201 HydrophobicContact CB-CE2 3.75Å; A159-F201 HydrophobicContact CB-CZ 3.53Å |
| 160 | S | 93.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 21% | 0.21 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.2 | 176.3 | -51 | 0 | 0 | 0 | 0 | 113.5 | M156 H157 T158 E162 K197 F201 | M156-S160 PolarHBondContact O-N 3.39Å; M156-S160 PolarHBondContact O-OG 3.42Å; H157-S160 CarbonylContact O-C 3.35Å; H157-S160 WeakPolarHBondContact O-CA 3.45Å; H157-S160 WeakPolarHBondContact O-CB 3.21Å; H157-S160 PolarHBondContact O-N 3.13Å; T158-S160 PolarHBondContact O-N 2.95Å; S160-E162 PolarHBondContact O-N 2.85Å; S160-K197 PolarHBondContact OG-NZ 3.18Å; S160-K197 VanDerWaalsContact OG-NZ 3.11Å; S160-F201 WeakPolarHBondContact OG-CE1 3.44Å |
| 161 | D | 89.5 | Confident | 93.9 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.08 | 15% | 0.146 | C | C | . | . | trans | -82.6 | 99.8 | -176.4 | 178.1 | 5.8 | 0 | 0 | 0 | 112.2 | R125 H157 T158 S163 Q168 | R125-D161 IonicContact CZ-OD2 3.35Å; R125-D161 IonicContact NH1-OD2 2.69Å; R125-D161 PolarHBondContact NH1-OD2 3.28Å; R125-D161 IonicContact NH2-OD2 3.47Å; R125-D161 PolarHBondContact NH2-OD2 3.02Å; H157-D161 PolarHBondContact O-N 3.48Å; T158-D161 PolarHBondContact O-N 3.39Å; D161-S163 PolarHBondContact O-N 3.14Å; D161-S163 VanDerWaalsContact O-N 3.08Å; D161-S163 WeakPolarHBondContact OD1-CB 3.41Å; D161-S163 PolarHBondContact OD1-N 2.91Å; D161-S163 PolarHBondContact OD1-OG 3.49Å; D161-S163 PolarHBondContact OD2-OG 2.88Å; D161-Q168 VanDerWaalsContact O-CD 3.32Å; D161-Q168 WeakPolarHBondContact O-CG 3.36Å; D161-Q168 PolarHBondContact O-NE2 3.08Å | ||
| 162 | E | 88.2 | Confident | 93.9 | Very high | 122 Ų | 122 | 29.3 Ų | 29.3 | 57% | 0.57 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -3.2 | -179.3 | -60.7 | -179.4 | -179.3 | 0 | 0 | 114.4 | S160 C164 Y204 | S160-E162 PolarHBondContact O-N 2.85Å; E162-C164 PolarHBondContact O-N 3.48Å; E162-Y204 HydrophobicContact CG-CE1 4.31Å; E162-Y204 WeakPolarHBondContact OE1-CE1 3.44Å; E162-Y204 PolarHBondContact OE1-OH 3.2Å |
| 163 | S | 87.3 | Confident | 93.9 | Very high | 58 Ų | 58 | 33.6 Ų | 33.6 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19 | 178.7 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | K122 R125 D161 | K122-S163 WeakPolarHBondContact CE-O 3.22Å; K122-S163 PolarHBondContact NZ-O 3.41Å; R125-S163 PolarHBondContact NH2-OG 2.87Å; D161-S163 PolarHBondContact O-N 3.14Å; D161-S163 VanDerWaalsContact O-N 3.08Å; D161-S163 WeakPolarHBondContact OD1-CB 3.41Å; D161-S163 PolarHBondContact OD1-N 2.91Å; D161-S163 PolarHBondContact OD1-OG 3.49Å; D161-S163 PolarHBondContact OD2-OG 2.88Å |
| 164 | C | 87.2 | Confident | 94 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 12% | 0.122 | 17% | 0.167 | C | C | . | . | trans | -157.4 | 104.2 | -178.4 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | K122 E162 M166 S167 Q168 | K122-C164 HydrophobicContact CD-CB 3.85Å; K122-C164 HydrophobicContact CG-CB 4.09Å; E162-C164 PolarHBondContact O-N 3.48Å; C164-M166 PolarHBondContact O-N 2.9Å; C164-M166 VanDerWaalsContact O-N 3.13Å; C164-S167 WeakPolarHBondContact O-CA 2.99Å; C164-S167 WeakPolarHBondContact O-CB 3.47Å; C164-S167 PolarHBondContact O-N 3.35Å; C164-S167 PolarHBondContact SG-N 3.23Å; C164-S167 PolarHBondContact SG-OG 2.92Å; C164-Q168 PolarHBondContact O-N 3.4Å | ||
| 165 | N | 91.2 | Very high | 94.1 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 40% | 0.401 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -47.5 | -43.2 | 173.9 | -66.9 | 19.9 | 0 | 0 | 0 | 113.3 | S167 Q168 R169 E206 | N165-S167 VanDerWaalsContact C-N 3.33Å; N165-S167 PolarHBondContact O-N 3.1Å; N165-Q168 WeakPolarHBondContact O-CB 3.49Å; N165-Q168 PolarHBondContact O-N 3.25Å; N165-R169 WeakPolarHBondContact O-CG 3.11Å; N165-R169 PolarHBondContact O-N 3.31Å; N165-E206 VanDerWaalsContact CB-OE2 3.3Å; N165-E206 WeakPolarHBondContact CB-OE2 3.16Å; N165-E206 VanDerWaalsContact ND2-CD 3.34Å; N165-E206 PolarHBondContact ND2-OE1 3.22Å; N165-E206 PolarHBondContact ND2-OE2 3.36Å |
| 166 | M | 92.2 | Very high | 94.2 | Very high | 81 Ų | 81 | 35.2 Ų | 35.2 | 40% | 0.399 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 178.5 | -166.7 | 67.8 | -93.7 | 0 | 0 | 112.6 | C164 R169 K170 | C164-M166 PolarHBondContact O-N 2.9Å; C164-M166 VanDerWaalsContact O-N 3.13Å; M166-R169 HydrophobicContact CE-CB 3.82Å; M166-K170 HydrophobicContact CE-CD 4.47Å; M166-K170 HydrophobicContact CE-CG 3.76Å; M166-K170 WeakPolarHBondContact O-CB 3.42Å; M166-K170 WeakPolarHBondContact O-CG 3.48Å; M166-K170 PolarHBondContact O-N 3.26Å; M166-K170 VanDerWaalsContact O-N 3.12Å |
| 167 | S | 92.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.8 | -37.7 | 174.5 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | R125 L129 C164 N165 G171 | R125-S167 PolarHBondContact NE-OG 3.45Å; L129-S167 WeakPolarHBondContact CD1-O 3.47Å; C164-S167 WeakPolarHBondContact O-CA 2.99Å; C164-S167 WeakPolarHBondContact O-CB 3.47Å; C164-S167 PolarHBondContact O-N 3.35Å; C164-S167 PolarHBondContact SG-N 3.23Å; C164-S167 PolarHBondContact SG-OG 2.92Å; N165-S167 VanDerWaalsContact C-N 3.33Å; N165-S167 PolarHBondContact O-N 3.1Å; S167-G171 PolarHBondContact O-N 3.06Å |
| 168 | Q | 94.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -51.7 | 176.3 | -66.4 | -178.1 | -57.3 | 0 | 0 | 111.9 | A159 D161 C164 N165 K170 G171 L172 L207 | A159-Q168 WeakPolarHBondContact O-CG 3.49Å; A159-Q168 PolarHBondContact O-NE2 3.49Å; D161-Q168 VanDerWaalsContact O-CD 3.32Å; D161-Q168 WeakPolarHBondContact O-CG 3.36Å; D161-Q168 PolarHBondContact O-NE2 3.08Å; C164-Q168 PolarHBondContact O-N 3.4Å; N165-Q168 WeakPolarHBondContact O-CB 3.49Å; N165-Q168 PolarHBondContact O-N 3.25Å; Q168-K170 VanDerWaalsContact C-N 3.35Å; Q168-K170 PolarHBondContact O-N 2.86Å; Q168-G171 WeakPolarHBondContact O-CA 3.39Å; Q168-G171 PolarHBondContact O-N 3.28Å; Q168-G171 VanDerWaalsContact O-N 3.1Å; Q168-L172 PolarHBondContact O-N 2.88Å; Q168-L207 HydrophobicContact CB-CD1 4.17Å; Q168-L207 HydrophobicContact CB-CD2 4.16Å |
| 169 | R | 96.5 | Very high | 94.7 | Very high | 111 Ų | 111 | 33.2 Ų | 33.2 | 42% | 0.419 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 179.4 | -70 | -179.6 | 69.3 | -159.5 | -1.1 | 111.8 | N165 M166 L172 H173 L207 | N165-R169 WeakPolarHBondContact O-CG 3.11Å; N165-R169 PolarHBondContact O-N 3.31Å; M166-R169 HydrophobicContact CE-CB 3.82Å; R169-L172 PolarHBondContact O-N 3.05Å; R169-H173 WeakPolarHBondContact O-CB 3.29Å; R169-H173 PolarHBondContact O-N 3.03Å; R169-L207 HydrophobicContact CB-CD2 4.32Å; R169-L207 HydrophobicContact CG-CD2 3.67Å |
| 170 | K | 97.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 36.9 Ų | 36.9 | 18% | 0.183 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.8 | -33.6 | 175.7 | -71 | -169.1 | 176.4 | -169.7 | 0 | 112.7 | S126 L129 S130 M166 Q168 H173 A174 | S126-K170 WeakPolarHBondContact O-CD 3.39Å; S126-K170 PolarHBondContact O-NZ 2.91Å; S126-K170 WeakPolarHBondContact OG-CD 3.48Å; S126-K170 VanDerWaalsContact OG-CE 3.22Å; S126-K170 WeakPolarHBondContact OG-CE 3.42Å; S126-K170 PolarHBondContact OG-NZ 3.49Å; L129-K170 HydrophobicContact CB-CB 3.76Å; L129-K170 HydrophobicContact CB-CD 4.44Å; L129-K170 HydrophobicContact CD1-CB 3.81Å; L129-K170 HydrophobicContact CG-CB 4.41Å; S130-K170 WeakPolarHBondContact OG-CE 3.39Å; S130-K170 PolarHBondContact OG-NZ 3.14Å; M166-K170 HydrophobicContact CE-CD 4.47Å; M166-K170 HydrophobicContact CE-CG 3.76Å; M166-K170 WeakPolarHBondContact O-CB 3.42Å; M166-K170 WeakPolarHBondContact O-CG 3.48Å; M166-K170 PolarHBondContact O-N 3.26Å; M166-K170 VanDerWaalsContact O-N 3.12Å; Q168-K170 VanDerWaalsContact C-N 3.35Å; Q168-K170 PolarHBondContact O-N 2.86Å; K170-H173 PolarHBondContact O-N 2.84Å; K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.46Å |
| 171 | G | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -48.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S167 Q168 A174 L175 | S167-G171 PolarHBondContact O-N 3.06Å; Q168-G171 WeakPolarHBondContact O-CA 3.39Å; Q168-G171 PolarHBondContact O-N 3.28Å; Q168-G171 VanDerWaalsContact O-N 3.1Å; G171-A174 PolarHBondContact O-N 3.38Å; G171-L175 WeakPolarHBondContact O-CB 3.36Å; G171-L175 PolarHBondContact O-N 3.34Å |
| 172 | L | 98 | Very high | 95.1 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.9 | -178.5 | 57.5 | 0 | 0 | 0 | 111.5 | A159 Q168 R169 L175 F176 L198 F201 L207 E210 M214 | A159-L172 HydrophobicContact CB-CB 4.29Å; Q168-L172 PolarHBondContact O-N 2.88Å; R169-L172 PolarHBondContact O-N 3.05Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 3.21Å; L172-F176 PolarHBondContact O-N 2.85Å; L172-L198 HydrophobicContact CD1-CD2 3.82Å; L172-F201 HydrophobicContact CD1-CD2 3.99Å; L172-F201 HydrophobicContact CD1-CE2 4.25Å; L172-L207 HydrophobicContact CD2-CB 4.09Å; L172-L207 HydrophobicContact CD2-CD2 4.18Å; L172-E210 HydrophobicContact CD2-CB 3.85Å; L172-E210 HydrophobicContact CG-CB 4.5Å; L172-M214 HydrophobicContact CD1-SD 3.95Å |
| 173 | H | 98 | Very high | 95.6 | Very high | 91 Ų | 91 | 37 Ų | 37 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.3 | -170.5 | 64.4 | 0 | 0 | 0 | 112.5 | R169 K170 L175 F176 C177 | R169-H173 WeakPolarHBondContact O-CB 3.29Å; R169-H173 PolarHBondContact O-N 3.03Å; K170-H173 PolarHBondContact O-N 2.84Å; H173-L175 VanDerWaalsContact C-N 3.3Å; H173-L175 PolarHBondContact O-N 3.02Å; H173-F176 WeakPolarHBondContact O-CB 3.31Å; H173-F176 PolarHBondContact O-N 3.32Å; H173-C177 PolarHBondContact O-N 3.3Å; H173-C177 PolarHBondContact O-SG 3.11Å; H173-C177 VanDerWaalsContact O-SG 3.38Å |
| 174 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L129 V132 C133 L155 K170 G171 F176 C177 L178 | L129-A174 HydrophobicContact CD2-CB 4.3Å; V132-A174 HydrophobicContact CB-CB 4.5Å; V132-A174 HydrophobicContact CG1-CB 4.17Å; C133-A174 WeakPolarHBondContact SG-CA 3.42Å; C133-A174 VanDerWaalsContact SG-CB 3.59Å; L155-A174 HydrophobicContact CD1-CB 3.99Å; L155-A174 HydrophobicContact CD2-CB 3.79Å; K170-A174 VanDerWaalsContact O-CB 3.24Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.46Å; G171-A174 PolarHBondContact O-N 3.38Å; A174-F176 VanDerWaalsContact C-N 3.35Å; A174-C177 PolarHBondContact O-N 3.49Å; A174-L178 VanDerWaalsContact O-CB 3.31Å; A174-L178 WeakPolarHBondContact O-CB 3.45Å; A174-L178 PolarHBondContact O-N 2.81Å |
| 175 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 176.1 | -175.6 | 63 | 0 | 0 | 0 | 111.5 | L155 M156 G171 L172 H173 L178 C179 F189 M214 | L155-L175 HydrophobicContact CB-CB 3.97Å; L155-L175 HydrophobicContact CB-CD1 4.03Å; L155-L175 HydrophobicContact CB-CG 4.49Å; L155-L175 HydrophobicContact CD1-CB 4.39Å; M156-L175 HydrophobicContact CG-CD1 4.37Å; M156-L175 HydrophobicContact CG-CD2 3.76Å; G171-L175 WeakPolarHBondContact O-CB 3.36Å; G171-L175 PolarHBondContact O-N 3.34Å; L172-L175 WeakPolarHBondContact O-CB 3.42Å; L172-L175 PolarHBondContact O-N 3.21Å; H173-L175 VanDerWaalsContact C-N 3.3Å; H173-L175 PolarHBondContact O-N 3.02Å; L175-L178 PolarHBondContact O-N 2.98Å; L175-C179 PolarHBondContact O-N 3.34Å; L175-C179 VanDerWaalsContact O-N 3.1Å; L175-C179 PolarHBondContact O-SG 3Å; L175-F189 HydrophobicContact CD1-CD2 4.15Å; L175-F189 HydrophobicContact CD1-CE2 4.39Å; L175-F189 HydrophobicContact CD2-CD2 4.3Å; L175-F189 HydrophobicContact CD2-CE2 3.71Å; L175-F189 HydrophobicContact CD2-CZ 4.41Å; L175-F189 HydrophobicContact CG-CD2 4.48Å; L175-F189 HydrophobicContact CG-CE2 4.29Å; L175-M214 HydrophobicContact CB-CE 4.47Å; L175-M214 HydrophobicContact CD2-CE 4.06Å; L175-M214 HydrophobicContact CG-CE 3.7Å; L175-M214 HydrophobicContact CG-SD 4.38Å |
| 176 | F | 98.2 | Very high | 97 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -52.3 | 172.1 | 173.8 | -97.9 | 0 | 0 | 0 | 111.2 | L172 H173 A174 L178 C179 F180 F213 M214 K217 | L172-F176 PolarHBondContact O-N 2.85Å; H173-F176 WeakPolarHBondContact O-CB 3.31Å; H173-F176 PolarHBondContact O-N 3.32Å; A174-F176 VanDerWaalsContact C-N 3.35Å; F176-L178 PolarHBondContact O-N 3.36Å; F176-C179 PolarHBondContact O-N 2.99Å; F176-C179 VanDerWaalsContact O-N 3.11Å; F176-F180 HydrophobicContact CD1-CB 4.44Å; F176-F180 HydrophobicContact CD2-CB 4.5Å; F176-F180 HydrophobicContact CD2-CD2 4.48Å; F176-F180 HydrophobicContact CE1-CB 4.09Å; F176-F180 HydrophobicContact CE1-CD2 4.15Å; F176-F180 HydrophobicContact CE1-CG 4.01Å; F176-F180 HydrophobicContact CE2-CB 4.17Å; F176-F180 AromaticContact CE2-CD2 3.46Å; F176-F180 HydrophobicContact CE2-CD2 3.46Å; F176-F180 VanDerWaalsContact CE2-CD2 3.46Å; F176-F180 HydrophobicContact CE2-CE2 4.13Å; F176-F180 HydrophobicContact CE2-CG 4.05Å; F176-F180 HydrophobicContact CZ-CB 3.95Å; F176-F180 HydrophobicContact CZ-CD1 4.3Å; F176-F180 AromaticContact CZ-CD2 3.25Å; F176-F180 HydrophobicContact CZ-CD2 3.25Å; F176-F180 AromaticContact CZ-CE2 3.73Å; F176-F180 HydrophobicContact CZ-CE2 3.73Å; F176-F180 AromaticContact CZ-CG 3.57Å; F176-F180 HydrophobicContact CZ-CG 3.57Å; F176-F180 HydrophobicContact CZ-CZ 4.43Å; F176-F180 WeakPolarHBondContact O-CB 3.39Å; F176-F180 PolarHBondContact O-N 2.89Å; F176-F213 HydrophobicContact CE2-CD1 4.11Å; F176-F213 AromaticContact CE2-CE1 3.87Å; F176-F213 HydrophobicContact CE2-CE1 3.87Å; F176-F213 HydrophobicContact CZ-CD1 4.34Å; F176-F213 AromaticContact CZ-CE1 3.7Å; F176-F213 HydrophobicContact CZ-CE1 3.7Å; F176-M214 HydrophobicContact CB-CG 4.43Å; F176-M214 HydrophobicContact CB-SD 3.88Å; F176-M214 HydrophobicContact CD2-CB 3.94Å; F176-M214 HydrophobicContact CD2-CG 3.91Å; F176-M214 HydrophobicContact CD2-SD 4.45Å; F176-K217 HydrophobicContact CE2-CB 4.27Å; F176-K217 HydrophobicContact CE2-CG 4.41Å |
| 177 | C | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.1 | -34.1 | 178.1 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | V136 Q137 Q143 H173 A174 | V136-C177 HydrophobicContact CG2-CB 3.71Å; Q137-C177 HydrophobicContact CB-CB 4.42Å; Q143-C177 PolarHBondContact NE2-O 3.29Å; H173-C177 PolarHBondContact O-N 3.3Å; H173-C177 PolarHBondContact O-SG 3.11Å; H173-C177 VanDerWaalsContact O-SG 3.38Å; A174-C177 PolarHBondContact O-N 3.49Å |
| 178 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 177.6 | -178.7 | 58.2 | 0 | 0 | 0 | 112.1 | V136 Q143 F146 F151 V152 L155 A174 L175 F176 V185 | V136-L178 HydrophobicContact CG1-CD1 4.38Å; V136-L178 HydrophobicContact CG2-CB 4.4Å; Q143-L178 HydrophobicContact CB-CD1 4.13Å; Q143-L178 WeakPolarHBondContact CB-O 3.49Å; Q143-L178 HydrophobicContact CG-CD1 4.48Å; Q143-L178 VanDerWaalsContact CG-O 3.31Å; Q143-L178 WeakPolarHBondContact CG-O 3.29Å; Q143-L178 PolarHBondContact NE2-O 3.21Å; Q143-L178 VanDerWaalsContact O-CD1 3.29Å; Q143-L178 WeakPolarHBondContact O-CD1 3.45Å; F146-L178 HydrophobicContact CB-CD1 3.76Å; F151-L178 HydrophobicContact CB-CD2 3.8Å; V152-L178 HydrophobicContact CG2-CD2 3.81Å; L155-L178 HydrophobicContact CD1-CB 4.41Å; L155-L178 HydrophobicContact CD1-CD2 3.81Å; A174-L178 VanDerWaalsContact O-CB 3.31Å; A174-L178 WeakPolarHBondContact O-CB 3.45Å; A174-L178 PolarHBondContact O-N 2.81Å; L175-L178 PolarHBondContact O-N 2.98Å; F176-L178 PolarHBondContact O-N 3.36Å; L178-V185 HydrophobicContact CD1-CG1 4.35Å; L178-V185 HydrophobicContact CG-CG1 3.91Å; L178-V185 WeakPolarHBondContact O-CG1 3.39Å |
| 179 | C | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -88 | -34.2 | -176.3 | -57.9 | 0 | 0 | 0 | 0 | 113.4 | L175 F176 G181 N182 S186 M214 | L175-C179 PolarHBondContact O-N 3.34Å; L175-C179 VanDerWaalsContact O-N 3.1Å; L175-C179 PolarHBondContact O-SG 3Å; F176-C179 PolarHBondContact O-N 2.99Å; F176-C179 VanDerWaalsContact O-N 3.11Å; C179-G181 PolarHBondContact O-N 2.9Å; C179-N182 PolarHBondContact O-N 2.7Å; C179-S186 PolarHBondContact O-OG 3.06Å; C179-S186 VanDerWaalsContact O-OG 3.08Å; C179-M214 HydrophobicContact CB-CE 4.31Å |
| 180 | F | 96.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 25 Ų | 25 | 34% | 0.338 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 127.8 | -167.3 | -172.3 | -104.7 | 0 | 0 | 0 | 112.4 | Q143 F176 N182 K217 | Q143-F180 PolarHBondContact NE2-O 3.34Å; F176-F180 HydrophobicContact CD1-CB 4.44Å; F176-F180 HydrophobicContact CD2-CB 4.5Å; F176-F180 HydrophobicContact CD2-CD2 4.48Å; F176-F180 HydrophobicContact CE1-CB 4.09Å; F176-F180 HydrophobicContact CE1-CD2 4.15Å; F176-F180 HydrophobicContact CE1-CG 4.01Å; F176-F180 HydrophobicContact CE2-CB 4.17Å; F176-F180 AromaticContact CE2-CD2 3.46Å; F176-F180 HydrophobicContact CE2-CD2 3.46Å; F176-F180 VanDerWaalsContact CE2-CD2 3.46Å; F176-F180 HydrophobicContact CE2-CE2 4.13Å; F176-F180 HydrophobicContact CE2-CG 4.05Å; F176-F180 HydrophobicContact CZ-CB 3.95Å; F176-F180 HydrophobicContact CZ-CD1 4.3Å; F176-F180 AromaticContact CZ-CD2 3.25Å; F176-F180 HydrophobicContact CZ-CD2 3.25Å; F176-F180 AromaticContact CZ-CE2 3.73Å; F176-F180 HydrophobicContact CZ-CE2 3.73Å; F176-F180 AromaticContact CZ-CG 3.57Å; F176-F180 HydrophobicContact CZ-CG 3.57Å; F176-F180 HydrophobicContact CZ-CZ 4.43Å; F176-F180 WeakPolarHBondContact O-CB 3.39Å; F176-F180 PolarHBondContact O-N 2.89Å; F180-N182 PolarHBondContact O-N 2.69Å; F180-K217 HydrophobicContact CD2-CB 4.11Å; F180-K217 HydrophobicContact CE2-CB 3.95Å; F180-K217 HydrophobicContact CE2-CD 4.38Å; F180-K217 HydrophobicContact CE2-CG 4.01Å |
| 181 | G | 94.7 | Very high | 97.7 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 32% | 0.32 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 8.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R140 C179 | R140-G181 PolarHBondContact NE-O 3.2Å; R140-G181 PolarHBondContact NH2-O 2.91Å; C179-G181 PolarHBondContact O-N 2.9Å |
| 182 | N | 97.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -125.3 | 98.4 | -179.8 | -171.3 | -23.5 | 0 | 0 | 0 | 112.3 | R140 Q143 N144 C179 F180 H184 V185 S186 | R140-N182 HydrophobicContact CG-CB 4.42Å; Q143-N182 VanDerWaalsContact OE1-CB 3.27Å; Q143-N182 PolarHBondContact OE1-ND2 3Å; N144-N182 PolarHBondContact OD1-ND2 3.47Å; C179-N182 PolarHBondContact O-N 2.7Å; F180-N182 PolarHBondContact O-N 2.69Å; N182-H184 VanDerWaalsContact C-N 3.3Å; N182-H184 PolarHBondContact O-N 2.69Å; N182-H184 PolarHBondContact OD1-N 2.91Å; N182-V185 HydrophobicContact CB-CB 4.25Å; N182-V185 HydrophobicContact CB-CG2 4.35Å; N182-V185 WeakPolarHBondContact ND2-CG2 3.18Å; N182-V185 PolarHBondContact O-N 3.24Å; N182-V185 PolarHBondContact OD1-N 3.46Å; N182-S186 PolarHBondContact O-N 3.18Å; N182-S186 PolarHBondContact O-OG 3.29Å | ||
| 183 | R | 97.7 | Very high | 97.5 | Very high | 134 Ų | 134 | 27 Ų | 27 | 51% | 0.506 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -54.1 | -41.6 | -177.1 | -165.6 | -179.4 | -158.8 | -147.8 | 1.4 | 113.8 | Q187 V221 V222 | R183-Q187 WeakPolarHBondContact O-CB 3.34Å; R183-Q187 VanDerWaalsContact O-CG 3.22Å; R183-Q187 WeakPolarHBondContact O-CG 3.27Å; R183-Q187 PolarHBondContact O-N 2.61Å; R183-V221 HydrophobicContact CB-CG1 4.01Å; R183-V221 HydrophobicContact CG-CG1 4.27Å; R183-V222 HydrophobicContact CG-CG1 3.89Å |
| 184 | H | 98 | Very high | 97.5 | Very high | 64 Ų | 64 | 22.7 Ų | 22.7 | 30% | 0.296 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -70.5 | -39.3 | -176.3 | -60.1 | -50.7 | 0 | 0 | 0 | 111.8 | F16 V20 N182 Q187 L188 | F16-H184 HydrophobicContact CD2-CB 3.89Å; F16-H184 HydrophobicContact CE2-CB 4.11Å; V20-H184 HydrophobicContact CG1-CB 4.33Å; N182-H184 VanDerWaalsContact C-N 3.3Å; N182-H184 PolarHBondContact O-N 2.69Å; N182-H184 PolarHBondContact OD1-N 2.91Å; H184-Q187 PolarHBondContact O-N 3.08Å; H184-L188 PolarHBondContact O-N 3.18Å |
| 185 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -72.8 | -39.9 | 177.1 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | F16 Q143 A147 V152 L178 N182 Q187 L188 F189 | F16-V185 HydrophobicContact CE2-CG2 3.72Å; F16-V185 HydrophobicContact CZ-CG2 4.33Å; Q143-V185 HydrophobicContact CB-CG2 4.46Å; A147-V185 HydrophobicContact CB-CG1 4.28Å; A147-V185 HydrophobicContact CB-CG2 3.93Å; V152-V185 HydrophobicContact CG2-CG1 4.08Å; L178-V185 HydrophobicContact CD1-CG1 4.35Å; L178-V185 HydrophobicContact CG-CG1 3.91Å; L178-V185 WeakPolarHBondContact O-CG1 3.39Å; N182-V185 HydrophobicContact CB-CB 4.25Å; N182-V185 HydrophobicContact CB-CG2 4.35Å; N182-V185 WeakPolarHBondContact ND2-CG2 3.18Å; N182-V185 PolarHBondContact O-N 3.24Å; N182-V185 PolarHBondContact OD1-N 3.46Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 2.86Å; V185-L188 WeakPolarHBondContact O-CB 3.47Å; V185-L188 PolarHBondContact O-N 2.98Å; V185-F189 WeakPolarHBondContact O-CB 3.43Å; V185-F189 PolarHBondContact O-N 2.96Å |
| 186 | S | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -39.8 | 171.8 | -63 | 0 | 0 | 0 | 0 | 112.4 | C179 N182 F189 C190 | C179-S186 PolarHBondContact O-OG 3.06Å; C179-S186 VanDerWaalsContact O-OG 3.08Å; N182-S186 PolarHBondContact O-N 3.18Å; N182-S186 PolarHBondContact O-OG 3.29Å; S186-F189 PolarHBondContact O-N 3.44Å; S186-C190 PolarHBondContact O-N 3.1Å; S186-C190 PolarHBondContact O-SG 2.88Å; S186-C190 VanDerWaalsContact O-SG 3.37Å |
| 187 | Q | 98.1 | Very high | 97.2 | Very high | 29 Ų | 29 | 28 Ų | 28 | 14% | 0.136 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -49.7 | 173.3 | -78.5 | 173.6 | -24 | 0 | 0 | 111.3 | R183 H184 V185 F189 C190 Q191 V222 Q224 Y225 | R183-Q187 WeakPolarHBondContact O-CB 3.34Å; R183-Q187 VanDerWaalsContact O-CG 3.22Å; R183-Q187 WeakPolarHBondContact O-CG 3.27Å; R183-Q187 PolarHBondContact O-N 2.61Å; H184-Q187 PolarHBondContact O-N 3.08Å; V185-Q187 VanDerWaalsContact C-N 3.32Å; V185-Q187 PolarHBondContact O-N 2.86Å; Q187-F189 VanDerWaalsContact C-N 3.28Å; Q187-F189 PolarHBondContact O-N 2.8Å; Q187-C190 PolarHBondContact O-N 3.49Å; Q187-Q191 WeakPolarHBondContact O-CB 3.24Å; Q187-Q191 VanDerWaalsContact O-CG 3.32Å; Q187-Q191 WeakPolarHBondContact O-CG 3.31Å; Q187-Q191 PolarHBondContact O-N 2.94Å; Q187-V222 HydrophobicContact CG-CB 4.49Å; Q187-V222 HydrophobicContact CG-CG1 3.65Å; Q187-Q224 VanDerWaalsContact NE2-NE2 3.1Å; Q187-Y225 HydrophobicContact CB-CE2 4.41Å; Q187-Y225 HydrophobicContact CG-CE2 4.05Å |
| 188 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.6 | -47.5 | 176.1 | 174.5 | 58.8 | 0 | 0 | 0 | 110.8 | Y9 A12 F13 F16 A147 V152 H184 V185 Q191 S192 | Y9-L188 HydrophobicContact CD2-CD1 4.34Å; Y9-L188 HydrophobicContact CE2-CD1 3.97Å; A12-L188 HydrophobicContact CB-CD1 3.66Å; F13-L188 HydrophobicContact CB-CD1 4.31Å; F16-L188 HydrophobicContact CB-CB 4.12Å; F16-L188 HydrophobicContact CB-CD1 4.34Å; F16-L188 HydrophobicContact CB-CD2 4.17Å; F16-L188 HydrophobicContact CB-CG 4.45Å; F16-L188 HydrophobicContact CD1-CD2 3.92Å; F16-L188 HydrophobicContact CD2-CB 4.45Å; F16-L188 HydrophobicContact CD2-CD2 4.35Å; F16-L188 HydrophobicContact CE1-CD2 4.47Å; F16-L188 HydrophobicContact CG-CB 4.34Å; F16-L188 HydrophobicContact CG-CD2 3.86Å; A147-L188 HydrophobicContact CB-CD2 4.23Å; V152-L188 HydrophobicContact CB-CD2 4.35Å; V152-L188 HydrophobicContact CG1-CG 4.45Å; V152-L188 HydrophobicContact CG2-CD2 3.88Å; V152-L188 HydrophobicContact CG2-CG 4.26Å; H184-L188 PolarHBondContact O-N 3.18Å; V185-L188 WeakPolarHBondContact O-CB 3.47Å; V185-L188 PolarHBondContact O-N 2.98Å; L188-Q191 PolarHBondContact O-N 3.4Å; L188-S192 VanDerWaalsContact O-CB 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.18Å; L188-S192 PolarHBondContact O-N 3.4Å; L188-S192 PolarHBondContact O-OG 3.26Å |
| 189 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58 | -52.1 | 177.7 | 168.8 | -109.1 | 0 | 0 | 0 | 112.5 | V152 M156 L175 V185 S186 Q187 Q191 S192 G194 L198 M214 T218 | V152-F189 HydrophobicContact CG1-CB 4.17Å; V152-F189 HydrophobicContact CG1-CD2 4.27Å; M156-F189 HydrophobicContact CG-CD2 4.41Å; M156-F189 HydrophobicContact CG-CE2 4.1Å; M156-F189 HydrophobicContact SD-CD2 3.96Å; M156-F189 HydrophobicContact SD-CE2 3.78Å; L175-F189 HydrophobicContact CD1-CD2 4.15Å; L175-F189 HydrophobicContact CD1-CE2 4.39Å; L175-F189 HydrophobicContact CD2-CD2 4.3Å; L175-F189 HydrophobicContact CD2-CE2 3.71Å; L175-F189 HydrophobicContact CD2-CZ 4.41Å; L175-F189 HydrophobicContact CG-CD2 4.48Å; L175-F189 HydrophobicContact CG-CE2 4.29Å; V185-F189 WeakPolarHBondContact O-CB 3.43Å; V185-F189 PolarHBondContact O-N 2.96Å; S186-F189 PolarHBondContact O-N 3.44Å; Q187-F189 VanDerWaalsContact C-N 3.28Å; Q187-F189 PolarHBondContact O-N 2.8Å; F189-Q191 PolarHBondContact O-N 3.37Å; F189-S192 PolarHBondContact O-N 3.44Å; F189-S192 VanDerWaalsContact O-N 3.16Å; F189-G194 VanDerWaalsContact CZ-O 3.24Å; F189-G194 WeakPolarHBondContact CZ-O 3.4Å; F189-G194 WeakPolarHBondContact O-CA 3.37Å; F189-G194 PolarHBondContact O-N 3.07Å; F189-L198 HydrophobicContact CE1-CD1 3.72Å; F189-L198 HydrophobicContact CE1-CG 4.38Å; F189-L198 HydrophobicContact CZ-CD1 3.66Å; F189-L198 HydrophobicContact CZ-CD2 4.37Å; F189-L198 HydrophobicContact CZ-CG 3.8Å; F189-M214 HydrophobicContact CD1-CE 4.23Å; F189-M214 HydrophobicContact CE1-CE 3.77Å; F189-M214 HydrophobicContact CE2-CE 4.15Å; F189-M214 HydrophobicContact CZ-CE 3.71Å; F189-T218 HydrophobicContact CD1-CG2 3.97Å; F189-T218 HydrophobicContact CE1-CG2 4.22Å |
| 190 | C | 97.6 | Very high | 97 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 178.6 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | S186 Q187 S192 G193 I195 Y225 | S186-C190 PolarHBondContact O-N 3.1Å; S186-C190 PolarHBondContact O-SG 2.88Å; S186-C190 VanDerWaalsContact O-SG 3.37Å; Q187-C190 PolarHBondContact O-N 3.49Å; C190-S192 PolarHBondContact O-N 3.43Å; C190-G193 PolarHBondContact O-N 3.34Å; C190-I195 HydrophobicContact CB-CD1 4.31Å; C190-Y225 HydrophobicContact CB-CD1 3.83Å; C190-Y225 HydrophobicContact CB-CD2 3.64Å; C190-Y225 HydrophobicContact CB-CE1 4.04Å; C190-Y225 HydrophobicContact CB-CE2 3.83Å; C190-Y225 HydrophobicContact CB-CG 3.66Å |
| 191 | Q | 96.5 | Very high | 97 | Very high | 59 Ų | 59 | 27.6 Ų | 27.6 | 28% | 0.276 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.6 | -21.3 | 179.1 | -67.2 | 175.6 | -39.2 | 0 | 0 | 113.3 | A12 Q187 L188 F189 G193 Y225 | A12-Q191 HydrophobicContact CB-CB 3.46Å; A12-Q191 VanDerWaalsContact CB-CB 3.46Å; A12-Q191 HydrophobicContact CB-CG 4.41Å; Q187-Q191 WeakPolarHBondContact O-CB 3.24Å; Q187-Q191 VanDerWaalsContact O-CG 3.32Å; Q187-Q191 WeakPolarHBondContact O-CG 3.31Å; Q187-Q191 PolarHBondContact O-N 2.94Å; L188-Q191 PolarHBondContact O-N 3.4Å; F189-Q191 PolarHBondContact O-N 3.37Å; Q191-G193 VanDerWaalsContact C-N 3.25Å; Q191-G193 PolarHBondContact O-N 2.9Å; Q191-Y225 HydrophobicContact CG-CE1 3.95Å; Q191-Y225 WeakPolarHBondContact CG-OH 3.18Å; Q191-Y225 PolarHBondContact NE2-OH 2.93Å; Q191-Y225 VanDerWaalsContact NE2-OH 3.13Å |
| 192 | S | 95.6 | Very high | 97 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 15.4 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 113.1 | P6 Y9 L188 F189 C190 | P6-S192 VanDerWaalsContact CB-O 3.26Å; P6-S192 WeakPolarHBondContact CB-O 3.16Å; Y9-S192 WeakPolarHBondContact CD2-OG 3.43Å; L188-S192 VanDerWaalsContact O-CB 3.26Å; L188-S192 WeakPolarHBondContact O-CB 3.18Å; L188-S192 PolarHBondContact O-N 3.4Å; L188-S192 PolarHBondContact O-OG 3.26Å; F189-S192 PolarHBondContact O-N 3.44Å; F189-S192 VanDerWaalsContact O-N 3.16Å; C190-S192 PolarHBondContact O-N 3.43Å |
| 193 | G | 95.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 28% | 0.278 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 18.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C190 Q191 I195 V196 K197 | C190-G193 PolarHBondContact O-N 3.34Å; Q191-G193 VanDerWaalsContact C-N 3.25Å; Q191-G193 PolarHBondContact O-N 2.9Å; G193-I195 VanDerWaalsContact C-N 3.31Å; G193-I195 PolarHBondContact O-N 3.38Å; G193-V196 PolarHBondContact O-N 2.88Å; G193-K197 PolarHBondContact O-N 2.86Å |
| 194 | G | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -35.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F189 K197 L198 | F189-G194 VanDerWaalsContact CZ-O 3.24Å; F189-G194 WeakPolarHBondContact CZ-O 3.4Å; F189-G194 WeakPolarHBondContact O-CA 3.37Å; F189-G194 PolarHBondContact O-N 3.07Å; G194-K197 WeakPolarHBondContact O-CB 3.47Å; G194-K197 PolarHBondContact O-N 3.07Å; G194-L198 WeakPolarHBondContact O-CG 3.5Å; G194-L198 PolarHBondContact O-N 3.24Å |
| 195 | I | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -50.9 | 179.3 | -64.5 | 168.5 | 0 | 0 | 0 | 110.5 | C190 G193 K197 L198 L199 L215 L219 T228 A229 | C190-I195 HydrophobicContact CB-CD1 4.31Å; G193-I195 VanDerWaalsContact C-N 3.31Å; G193-I195 PolarHBondContact O-N 3.38Å; I195-K197 PolarHBondContact O-N 3.15Å; I195-L198 PolarHBondContact O-N 3.12Å; I195-L198 VanDerWaalsContact O-N 3.07Å; I195-L199 HydrophobicContact CG2-CD1 4.2Å; I195-L199 HydrophobicContact CG2-CG 4.49Å; I195-L199 WeakPolarHBondContact O-CG 3.26Å; I195-L199 PolarHBondContact O-N 3.39Å; I195-L215 HydrophobicContact CG1-CD1 4.34Å; I195-L215 HydrophobicContact CG2-CD1 4.03Å; I195-L219 HydrophobicContact CD1-CD2 4.08Å; I195-T228 HydrophobicContact CD1-CG2 4.32Å; I195-A229 HydrophobicContact CD1-CB 4.42Å; I195-A229 HydrophobicContact CG2-CB 4.01Å |
| 196 | V | 96.2 | Very high | 95.9 | Very high | 75 Ų | 75 | 37 Ų | 37 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53.7 | -40.5 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | G193 L199 H200 Q232 | G193-V196 PolarHBondContact O-N 2.88Å; V196-L199 PolarHBondContact O-N 2.86Å; V196-H200 WeakPolarHBondContact O-CB 3.32Å; V196-H200 PolarHBondContact O-N 2.81Å; V196-Q232 HydrophobicContact CG2-CB 4.43Å; V196-Q232 HydrophobicContact CG2-CG 3.92Å; V196-Q232 VanDerWaalsContact N-OE1 3.12Å |
| 197 | K | 96 | Very high | 95.8 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 178 | -77.5 | -67 | -173 | 174.4 | 0 | 112.7 | M156 S160 G193 G194 I195 H200 F201 | M156-K197 HydrophobicContact SD-CB 4.39Å; M156-K197 HydrophobicContact SD-CG 4.12Å; S160-K197 PolarHBondContact OG-NZ 3.18Å; S160-K197 VanDerWaalsContact OG-NZ 3.11Å; G193-K197 PolarHBondContact O-N 2.86Å; G194-K197 WeakPolarHBondContact O-CB 3.47Å; G194-K197 PolarHBondContact O-N 3.07Å; I195-K197 PolarHBondContact O-N 3.15Å; K197-H200 WeakPolarHBondContact O-CB 3.17Å; K197-H200 PolarHBondContact O-N 3.44Å; K197-F201 HydrophobicContact CB-CE2 4.29Å; K197-F201 HydrophobicContact CB-CZ 4.35Å; K197-F201 HydrophobicContact CD-CZ 4.4Å; K197-F201 VanDerWaalsContact O-CD2 3.27Å; K197-F201 WeakPolarHBondContact O-CD2 3.44Å; K197-F201 WeakPolarHBondContact O-CG 3.43Å; K197-F201 PolarHBondContact O-N 2.96Å |
| 198 | L | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.4 | -68.1 | 173.4 | 0 | 0 | 0 | 111.8 | L172 F189 G194 I195 H200 F201 T202 S211 M214 L215 | L172-L198 HydrophobicContact CD1-CD2 3.82Å; F189-L198 HydrophobicContact CE1-CD1 3.72Å; F189-L198 HydrophobicContact CE1-CG 4.38Å; F189-L198 HydrophobicContact CZ-CD1 3.66Å; F189-L198 HydrophobicContact CZ-CD2 4.37Å; F189-L198 HydrophobicContact CZ-CG 3.8Å; G194-L198 WeakPolarHBondContact O-CG 3.5Å; G194-L198 PolarHBondContact O-N 3.24Å; I195-L198 PolarHBondContact O-N 3.12Å; I195-L198 VanDerWaalsContact O-N 3.07Å; L198-H200 PolarHBondContact O-N 2.83Å; L198-F201 HydrophobicContact CD2-CD2 4.28Å; L198-F201 PolarHBondContact O-N 3.23Å; L198-T202 PolarHBondContact O-N 3.25Å; L198-T202 VanDerWaalsContact O-N 3.17Å; L198-S211 WeakPolarHBondContact CA-OG 3.3Å; L198-S211 VanDerWaalsContact CB-OG 3.31Å; L198-S211 WeakPolarHBondContact CB-OG 3.35Å; L198-S211 WeakPolarHBondContact CD2-OG 3.47Å; L198-S211 PolarHBondContact O-OG 3.48Å; L198-M214 HydrophobicContact CD1-CB 4.4Å; L198-M214 HydrophobicContact CD1-CG 3.97Å; L198-M214 HydrophobicContact CD1-SD 4.47Å; L198-M214 HydrophobicContact CD2-CB 4.19Å; L198-M214 HydrophobicContact CD2-CG 4.05Å; L198-M214 HydrophobicContact CD2-SD 3.81Å; L198-L215 HydrophobicContact CD1-CB 3.98Å; L198-L215 HydrophobicContact CD1-CD1 4.21Å |
| 199 | L | 96.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -26.2 | 175.3 | -62.3 | 176.3 | 0 | 0 | 0 | 112.6 | I195 V196 T202 L215 Q232 A234 E237 | I195-L199 HydrophobicContact CG2-CD1 4.2Å; I195-L199 HydrophobicContact CG2-CG 4.49Å; I195-L199 WeakPolarHBondContact O-CG 3.26Å; I195-L199 PolarHBondContact O-N 3.39Å; V196-L199 PolarHBondContact O-N 2.86Å; L199-T202 PolarHBondContact O-OG1 2.8Å; L199-L215 HydrophobicContact CD2-CD2 3.93Å; L199-Q232 HydrophobicContact CD1-CB 4.18Å; L199-Q232 WeakPolarHBondContact CD1-O 3.44Å; L199-A234 HydrophobicContact CD1-CB 3.96Å; L199-A234 HydrophobicContact CD2-CB 3.88Å; L199-E237 HydrophobicContact CD2-CB 4.32Å; L199-E237 HydrophobicContact CD2-CG 4.32Å |
| 200 | H | 95.5 | Very high | 95.6 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 26% | 0.264 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.4 | -39.3 | 170.9 | 176.2 | 61.3 | 0 | 0 | 0 | 111.5 | V196 K197 L198 T202 R203 Y204 | V196-H200 WeakPolarHBondContact O-CB 3.32Å; V196-H200 PolarHBondContact O-N 2.81Å; K197-H200 WeakPolarHBondContact O-CB 3.17Å; K197-H200 PolarHBondContact O-N 3.44Å; L198-H200 PolarHBondContact O-N 2.83Å; H200-T202 PolarHBondContact O-N 3.43Å; H200-R203 WeakPolarHBondContact O-CB 3.34Å; H200-R203 PolarHBondContact O-N 3.2Å; H200-Y204 AromaticContact CE1-CE2 3.92Å; H200-Y204 PolarHBondContact CE1-OH 3.19Å; H200-Y204 AromaticContact NE2-CE2 3.71Å; H200-Y204 AromaticContact NE2-CZ 3.98Å; H200-Y204 PolarHBondContact NE2-OH 3.14Å |
| 201 | F | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -20.6 | 179.6 | -60.4 | -29.6 | 0 | 0 | 0 | 113.9 | A159 S160 L172 K197 L198 R203 Y204 L207 | A159-F201 HydrophobicContact CB-CE1 4.29Å; A159-F201 HydrophobicContact CB-CE2 3.75Å; A159-F201 HydrophobicContact CB-CZ 3.53Å; S160-F201 WeakPolarHBondContact OG-CE1 3.44Å; L172-F201 HydrophobicContact CD1-CD2 3.99Å; L172-F201 HydrophobicContact CD1-CE2 4.25Å; K197-F201 HydrophobicContact CB-CE2 4.29Å; K197-F201 HydrophobicContact CB-CZ 4.35Å; K197-F201 HydrophobicContact CD-CZ 4.4Å; K197-F201 VanDerWaalsContact O-CD2 3.27Å; K197-F201 WeakPolarHBondContact O-CD2 3.44Å; K197-F201 WeakPolarHBondContact O-CG 3.43Å; K197-F201 PolarHBondContact O-N 2.96Å; L198-F201 HydrophobicContact CD2-CD2 4.28Å; L198-F201 PolarHBondContact O-N 3.23Å; F201-R203 PolarHBondContact O-N 2.93Å; F201-Y204 PolarHBondContact O-N 3.45Å; F201-Y204 VanDerWaalsContact O-N 3.13Å; F201-L207 HydrophobicContact CB-CB 4.21Å; F201-L207 HydrophobicContact CB-CD1 4.37Å; F201-L207 HydrophobicContact CD1-CD1 4.33Å; F201-L207 HydrophobicContact CG-CD1 4.42Å |
| 202 | T | 95.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.8 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 114 | L198 L199 H200 Y204 A208 E237 L241 | L198-T202 PolarHBondContact O-N 3.25Å; L198-T202 VanDerWaalsContact O-N 3.17Å; L199-T202 PolarHBondContact O-OG1 2.8Å; H200-T202 PolarHBondContact O-N 3.43Å; T202-Y204 PolarHBondContact O-N 3.43Å; T202-A208 WeakPolarHBondContact O-CB 3.39Å; T202-E237 PolarHBondContact OG1-OE1 3.19Å; T202-E237 VanDerWaalsContact OG1-OE1 3.12Å; T202-L241 HydrophobicContact CG2-CD1 3.67Å |
| 203 | R | 92.2 | Very high | 95.7 | Very high | 177 Ų | 177 | 40.7 Ų | 40.7 | 67% | 0.668 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -13.7 | 175.9 | -58.8 | -179.7 | -178.7 | 178.6 | -0.6 | 113.4 | H200 F201 | H200-R203 WeakPolarHBondContact O-CB 3.34Å; H200-R203 PolarHBondContact O-N 3.2Å; F201-R203 PolarHBondContact O-N 2.93Å |
| 204 | Y | 92.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 24% | 0.239 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -105.2 | 115.1 | 179.1 | -54.4 | -92.3 | 0 | 0 | 0 | 108.7 | E162 H200 F201 T202 E206 L207 A208 | E162-Y204 HydrophobicContact CG-CE1 4.31Å; E162-Y204 WeakPolarHBondContact OE1-CE1 3.44Å; E162-Y204 PolarHBondContact OE1-OH 3.2Å; H200-Y204 AromaticContact CE1-CE2 3.92Å; H200-Y204 PolarHBondContact CE1-OH 3.19Å; H200-Y204 AromaticContact NE2-CE2 3.71Å; H200-Y204 AromaticContact NE2-CZ 3.98Å; H200-Y204 PolarHBondContact NE2-OH 3.14Å; F201-Y204 PolarHBondContact O-N 3.45Å; F201-Y204 VanDerWaalsContact O-N 3.13Å; T202-Y204 PolarHBondContact O-N 3.43Å; Y204-E206 PolarHBondContact O-N 2.89Å; Y204-E206 VanDerWaalsContact O-N 3.08Å; Y204-L207 HydrophobicContact CD2-CD1 4.47Å; Y204-L207 HydrophobicContact CG-CD1 4.45Å; Y204-L207 PolarHBondContact O-N 2.88Å; Y204-A208 PolarHBondContact O-N 3.45Å |
| 205 | A | 90.3 | Very high | 95.8 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 74% | 0.736 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -52.7 | -37.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L207 | A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 3.4Å |
| 206 | E | 91.5 | Very high | 95.8 | Very high | 95 Ų | 95 | 39.7 Ų | 39.7 | 44% | 0.444 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.6 | -11.8 | 179.9 | -62.9 | -172 | -165.5 | 0 | 0 | 115.2 | N165 Y204 | N165-E206 VanDerWaalsContact CB-OE2 3.3Å; N165-E206 WeakPolarHBondContact CB-OE2 3.16Å; N165-E206 VanDerWaalsContact ND2-CD 3.34Å; N165-E206 PolarHBondContact ND2-OE1 3.22Å; N165-E206 PolarHBondContact ND2-OE2 3.36Å; Y204-E206 PolarHBondContact O-N 2.89Å; Y204-E206 VanDerWaalsContact O-N 3.08Å |
| 207 | L | 96.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -116.6 | -18 | -178.1 | -57.4 | 179.6 | 0 | 0 | 0 | 112.6 | Q168 R169 L172 F201 Y204 A205 T209 E210 S211 | Q168-L207 HydrophobicContact CB-CD1 4.17Å; Q168-L207 HydrophobicContact CB-CD2 4.16Å; R169-L207 HydrophobicContact CB-CD2 4.32Å; R169-L207 HydrophobicContact CG-CD2 3.67Å; L172-L207 HydrophobicContact CD2-CB 4.09Å; L172-L207 HydrophobicContact CD2-CD2 4.18Å; F201-L207 HydrophobicContact CB-CB 4.21Å; F201-L207 HydrophobicContact CB-CD1 4.37Å; F201-L207 HydrophobicContact CD1-CD1 4.33Å; F201-L207 HydrophobicContact CG-CD1 4.42Å; Y204-L207 HydrophobicContact CD2-CD1 4.47Å; Y204-L207 HydrophobicContact CG-CD1 4.45Å; Y204-L207 PolarHBondContact O-N 2.88Å; A205-L207 VanDerWaalsContact C-N 3.29Å; A205-L207 PolarHBondContact O-N 3.4Å; L207-T209 PolarHBondContact O-N 2.96Å; L207-E210 PolarHBondContact O-N 2.99Å; L207-S211 VanDerWaalsContact O-CB 3.22Å; L207-S211 WeakPolarHBondContact O-CB 3.24Å; L207-S211 PolarHBondContact O-N 3.31Å |
| 208 | A | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | -168 | 0 | 0 | 0 | 0 | 0 | 112.8 | T202 Y204 S211 C212 L250 | T202-A208 WeakPolarHBondContact O-CB 3.39Å; Y204-A208 PolarHBondContact O-N 3.45Å; A208-S211 PolarHBondContact O-N 3.41Å; A208-C212 PolarHBondContact O-N 3.31Å; A208-C212 PolarHBondContact O-SG 3.49Å; A208-C212 VanDerWaalsContact O-SG 3.38Å; A208-L250 HydrophobicContact CB-CD1 3.7Å; A208-L250 HydrophobicContact CB-CD2 3.82Å; A208-L250 HydrophobicContact CB-CG 4.45Å |
| 209 | T | 96.9 | Very high | 95.7 | Very high | 25 Ų | 25 | 35.4 Ų | 35.4 | 15% | 0.153 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -51.1 | -179.1 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | L207 S211 C212 F213 I249 K253 | L207-T209 PolarHBondContact O-N 2.96Å; T209-S211 VanDerWaalsContact C-N 3.28Å; T209-S211 PolarHBondContact O-N 3.46Å; T209-C212 PolarHBondContact O-N 2.86Å; T209-F213 WeakPolarHBondContact O-CB 3.48Å; T209-F213 PolarHBondContact O-N 3.4Å; T209-I249 HydrophobicContact CG2-CG2 3.72Å; T209-K253 HydrophobicContact CG2-CG 3.92Å |
| 210 | E | 96.8 | Very high | 95.6 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.6 | -34.2 | 176.7 | -73.3 | 86.6 | 160.6 | 0 | 0 | 112.1 | L172 L207 M214 | L172-E210 HydrophobicContact CD2-CB 3.85Å; L172-E210 HydrophobicContact CG-CB 4.5Å; L207-E210 PolarHBondContact O-N 2.99Å; E210-M214 VanDerWaalsContact O-CB 3.26Å; E210-M214 WeakPolarHBondContact O-CB 3.41Å; E210-M214 PolarHBondContact O-N 2.97Å |
| 211 | S | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.3 | -48.5 | 177.9 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | L198 L207 A208 T209 F213 M214 L215 | L198-S211 WeakPolarHBondContact CA-OG 3.3Å; L198-S211 VanDerWaalsContact CB-OG 3.31Å; L198-S211 WeakPolarHBondContact CB-OG 3.35Å; L198-S211 WeakPolarHBondContact CD2-OG 3.47Å; L198-S211 PolarHBondContact O-OG 3.48Å; L207-S211 VanDerWaalsContact O-CB 3.22Å; L207-S211 WeakPolarHBondContact O-CB 3.24Å; L207-S211 PolarHBondContact O-N 3.31Å; A208-S211 PolarHBondContact O-N 3.41Å; T209-S211 VanDerWaalsContact C-N 3.28Å; T209-S211 PolarHBondContact O-N 3.46Å; S211-F213 VanDerWaalsContact C-N 3.32Å; S211-F213 PolarHBondContact O-N 2.87Å; S211-M214 PolarHBondContact O-N 3.13Å; S211-L215 WeakPolarHBondContact O-CB 3.47Å; S211-L215 PolarHBondContact O-N 2.94Å |
| 212 | C | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.6 | -71.4 | 0 | 0 | 0 | 0 | 111.3 | A208 T209 L215 S216 L238 K253 | A208-C212 PolarHBondContact O-N 3.31Å; A208-C212 PolarHBondContact O-SG 3.49Å; A208-C212 VanDerWaalsContact O-SG 3.38Å; T209-C212 PolarHBondContact O-N 2.86Å; C212-L215 PolarHBondContact O-N 3.41Å; C212-S216 PolarHBondContact O-N 3.05Å; C212-L238 HydrophobicContact CB-CD2 4.49Å; C212-K253 HydrophobicContact CB-CB 3.94Å |
| 213 | F | 97.2 | Very high | 95.6 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 28% | 0.281 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -47 | 177.5 | -177.8 | -106.7 | 0 | 0 | 0 | 112 | F176 T209 S211 L215 S216 K217 K253 | F176-F213 HydrophobicContact CE2-CD1 4.11Å; F176-F213 AromaticContact CE2-CE1 3.87Å; F176-F213 HydrophobicContact CE2-CE1 3.87Å; F176-F213 HydrophobicContact CZ-CD1 4.34Å; F176-F213 AromaticContact CZ-CE1 3.7Å; F176-F213 HydrophobicContact CZ-CE1 3.7Å; T209-F213 WeakPolarHBondContact O-CB 3.48Å; T209-F213 PolarHBondContact O-N 3.4Å; S211-F213 VanDerWaalsContact C-N 3.32Å; S211-F213 PolarHBondContact O-N 2.87Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 2.95Å; F213-S216 PolarHBondContact O-N 3.47Å; F213-K217 HydrophobicContact CD1-CG 4.43Å; F213-K217 HydrophobicContact CD2-CG 4.45Å; F213-K217 HydrophobicContact CE1-CG 4.05Å; F213-K217 HydrophobicContact CE2-CD 4.31Å; F213-K217 HydrophobicContact CE2-CG 4.08Å; F213-K217 HydrophobicContact CZ-CD 4.31Å; F213-K217 HydrophobicContact CZ-CG 3.87Å; F213-K217 WeakPolarHBondContact O-CG 3.46Å; F213-K217 PolarHBondContact O-N 2.89Å; F213-K253 HydrophobicContact CD2-CD 4.23Å |
| 214 | M | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.3 | 177.7 | 170 | 174.9 | 0 | 0 | 111.8 | L172 L175 F176 C179 F189 L198 E210 S211 K217 T218 | L172-M214 HydrophobicContact CD1-SD 3.95Å; L175-M214 HydrophobicContact CB-CE 4.47Å; L175-M214 HydrophobicContact CD2-CE 4.06Å; L175-M214 HydrophobicContact CG-CE 3.7Å; L175-M214 HydrophobicContact CG-SD 4.38Å; F176-M214 HydrophobicContact CB-CG 4.43Å; F176-M214 HydrophobicContact CB-SD 3.88Å; F176-M214 HydrophobicContact CD2-CB 3.94Å; F176-M214 HydrophobicContact CD2-CG 3.91Å; F176-M214 HydrophobicContact CD2-SD 4.45Å; C179-M214 HydrophobicContact CB-CE 4.31Å; F189-M214 HydrophobicContact CD1-CE 4.23Å; F189-M214 HydrophobicContact CE1-CE 3.77Å; F189-M214 HydrophobicContact CE2-CE 4.15Å; F189-M214 HydrophobicContact CZ-CE 3.71Å; L198-M214 HydrophobicContact CD1-CB 4.4Å; L198-M214 HydrophobicContact CD1-CG 3.97Å; L198-M214 HydrophobicContact CD1-SD 4.47Å; L198-M214 HydrophobicContact CD2-CB 4.19Å; L198-M214 HydrophobicContact CD2-CG 4.05Å; L198-M214 HydrophobicContact CD2-SD 3.81Å; E210-M214 VanDerWaalsContact O-CB 3.26Å; E210-M214 WeakPolarHBondContact O-CB 3.41Å; E210-M214 PolarHBondContact O-N 2.97Å; S211-M214 PolarHBondContact O-N 3.13Å; M214-K217 PolarHBondContact O-N 3.45Å; M214-T218 VanDerWaalsContact O-CB 3.24Å; M214-T218 WeakPolarHBondContact O-CB 3.39Å; M214-T218 PolarHBondContact O-N 3.48Å; M214-T218 PolarHBondContact O-OG1 3.1Å |
| 215 | L | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 176.8 | 179.9 | 62.8 | 0 | 0 | 0 | 110.5 | I195 L198 L199 S211 C212 F213 T218 L219 L238 I261 | I195-L215 HydrophobicContact CG1-CD1 4.34Å; I195-L215 HydrophobicContact CG2-CD1 4.03Å; L198-L215 HydrophobicContact CD1-CB 3.98Å; L198-L215 HydrophobicContact CD1-CD1 4.21Å; L199-L215 HydrophobicContact CD2-CD2 3.93Å; S211-L215 WeakPolarHBondContact O-CB 3.47Å; S211-L215 PolarHBondContact O-N 2.94Å; C212-L215 PolarHBondContact O-N 3.41Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 2.95Å; L215-T218 PolarHBondContact O-N 3.18Å; L215-L219 HydrophobicContact CD1-CD1 3.8Å; L215-L219 HydrophobicContact CD1-CG 4.16Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 3.45Å; L215-L238 HydrophobicContact CD2-CD1 4.18Å; L215-L238 HydrophobicContact CD2-CD2 4.47Å; L215-I261 HydrophobicContact CD2-CD1 4.45Å |
| 216 | S | 96.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.5 | -54.8 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | C212 F213 T218 L219 D220 E256 N260 | C212-S216 PolarHBondContact O-N 3.05Å; F213-S216 PolarHBondContact O-N 3.47Å; S216-T218 VanDerWaalsContact C-N 3.28Å; S216-T218 PolarHBondContact O-N 3.15Å; S216-L219 PolarHBondContact O-N 3.24Å; S216-D220 PolarHBondContact O-N 2.93Å; S216-E256 PolarHBondContact OG-O 3.2Å; S216-N260 PolarHBondContact O-ND2 3.13Å; S216-N260 PolarHBondContact OG-ND2 2.95Å |
| 217 | K | 96.8 | Very high | 96.2 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 24% | 0.235 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -31.7 | -177.9 | -61.8 | -52.8 | 172.7 | -156.1 | 0 | 113.2 | F176 F180 F213 M214 V221 E256 | F176-K217 HydrophobicContact CE2-CB 4.27Å; F176-K217 HydrophobicContact CE2-CG 4.41Å; F180-K217 HydrophobicContact CD2-CB 4.11Å; F180-K217 HydrophobicContact CE2-CB 3.95Å; F180-K217 HydrophobicContact CE2-CD 4.38Å; F180-K217 HydrophobicContact CE2-CG 4.01Å; F213-K217 HydrophobicContact CD1-CG 4.43Å; F213-K217 HydrophobicContact CD2-CG 4.45Å; F213-K217 HydrophobicContact CE1-CG 4.05Å; F213-K217 HydrophobicContact CE2-CD 4.31Å; F213-K217 HydrophobicContact CE2-CG 4.08Å; F213-K217 HydrophobicContact CZ-CD 4.31Å; F213-K217 HydrophobicContact CZ-CG 3.87Å; F213-K217 WeakPolarHBondContact O-CG 3.46Å; F213-K217 PolarHBondContact O-N 2.89Å; M214-K217 PolarHBondContact O-N 3.45Å; K217-V221 WeakPolarHBondContact O-CG2 3.45Å; K217-V221 PolarHBondContact O-N 2.84Å; K217-E256 WeakPolarHBondContact CE-OE1 3.32Å; K217-E256 IonicContact NZ-OE1 2.7Å; K217-E256 PolarHBondContact NZ-OE1 2.8Å |
| 218 | T | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.7 | -48.8 | 176 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | F189 M214 L215 S216 D220 V221 V222 | F189-T218 HydrophobicContact CD1-CG2 3.97Å; F189-T218 HydrophobicContact CE1-CG2 4.22Å; M214-T218 VanDerWaalsContact O-CB 3.24Å; M214-T218 WeakPolarHBondContact O-CB 3.39Å; M214-T218 PolarHBondContact O-N 3.48Å; M214-T218 PolarHBondContact O-OG1 3.1Å; L215-T218 PolarHBondContact O-N 3.18Å; S216-T218 VanDerWaalsContact C-N 3.28Å; S216-T218 PolarHBondContact O-N 3.15Å; T218-D220 VanDerWaalsContact C-N 3.27Å; T218-D220 PolarHBondContact O-N 3.47Å; T218-V221 PolarHBondContact O-N 3.46Å; T218-V221 VanDerWaalsContact O-N 3.08Å; T218-V222 HydrophobicContact CG2-CG2 3.97Å; T218-V222 WeakPolarHBondContact O-CG2 3.31Å; T218-V222 PolarHBondContact O-N 3.12Å |
| 219 | L | 95.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70 | -23.3 | -177.8 | -66.3 | 179.7 | 0 | 0 | 0 | 113.4 | I195 L215 S216 V222 P223 K226 A229 I261 | I195-L219 HydrophobicContact CD1-CD2 4.08Å; L215-L219 HydrophobicContact CD1-CD1 3.8Å; L215-L219 HydrophobicContact CD1-CG 4.16Å; L215-L219 HydrophobicContact CG-CD1 4.13Å; L215-L219 WeakPolarHBondContact O-CG 3.28Å; L215-L219 PolarHBondContact O-N 3.45Å; S216-L219 PolarHBondContact O-N 3.24Å; L219-V222 CarbonylContact O-C 3.34Å; L219-P223 WeakPolarHBondContact O-CA 3.47Å; L219-P223 VanDerWaalsContact O-N 3.14Å; L219-K226 HydrophobicContact CB-CG 4.27Å; L219-A229 HydrophobicContact CD1-CB 3.82Å; L219-I261 HydrophobicContact CD1-CD1 3.95Å; L219-I261 HydrophobicContact CD1-CG1 3.56Å |
| 220 | D | 94.3 | Very high | 95.9 | Very high | 105 Ų | 105 | 34.4 Ų | 34.4 | 56% | 0.561 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -62.6 | -43 | 167.8 | -166.7 | 49.5 | 0 | 0 | 0 | 111.9 | S216 T218 | S216-D220 PolarHBondContact O-N 2.93Å; T218-D220 VanDerWaalsContact C-N 3.27Å; T218-D220 PolarHBondContact O-N 3.47Å |
| 221 | V | 95.2 | Very high | 95.7 | Very high | 39 Ų | 39 | 35.8 Ų | 35.8 | 24% | 0.236 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -77.1 | -31.6 | -179.2 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | R183 K217 T218 P223 | R183-V221 HydrophobicContact CB-CG1 4.01Å; R183-V221 HydrophobicContact CG-CG1 4.27Å; K217-V221 WeakPolarHBondContact O-CG2 3.45Å; K217-V221 PolarHBondContact O-N 2.84Å; T218-V221 PolarHBondContact O-N 3.46Å; T218-V221 VanDerWaalsContact O-N 3.08Å; V221-P223 VanDerWaalsContact C-CD 3.49Å |
| 222 | V | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -128.2 | 64.7 | -178 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | R183 Q187 T218 L219 Q224 Y225 | R183-V222 HydrophobicContact CG-CG1 3.89Å; Q187-V222 HydrophobicContact CG-CB 4.49Å; Q187-V222 HydrophobicContact CG-CG1 3.65Å; T218-V222 HydrophobicContact CG2-CG2 3.97Å; T218-V222 WeakPolarHBondContact O-CG2 3.31Å; T218-V222 PolarHBondContact O-N 3.12Å; L219-V222 CarbonylContact O-C 3.34Å; V222-Q224 VanDerWaalsContact C-OE1 3.24Å; V222-Q224 PolarHBondContact O-N 3.1Å; V222-Y225 HydrophobicContact CB-CD2 3.78Å; V222-Y225 HydrophobicContact CB-CE2 4.19Å; V222-Y225 HydrophobicContact CG2-CD2 3.7Å; V222-Y225 HydrophobicContact CG2-CE2 4.34Å; V222-Y225 PolarHBondContact O-N 2.95Å | ||
| 223 | P | 95.2 | Very high | 95.3 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -61.3 | -20.2 | -171.9 | 24.9 | -35.7 | 0 | 0 | 0 | 113.9 | L219 V221 Y225 K226 | L219-P223 WeakPolarHBondContact O-CA 3.47Å; L219-P223 VanDerWaalsContact O-N 3.14Å; V221-P223 VanDerWaalsContact C-CD 3.49Å; P223-Y225 PolarHBondContact O-N 3.46Å; P223-K226 HydrophobicContact CB-CD 4.29Å; P223-K226 WeakPolarHBondContact O-CB 3.4Å; P223-K226 WeakPolarHBondContact O-CG 3.49Å; P223-K226 PolarHBondContact O-N 3.3Å |
| 224 | Q | 94.4 | Very high | 95.2 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -60.9 | -14.7 | 174.3 | 72.2 | -82.8 | 7.3 | 0 | 0 | 114.1 | Q187 V222 | Q187-Q224 VanDerWaalsContact NE2-NE2 3.1Å; V222-Q224 VanDerWaalsContact C-OE1 3.24Å; V222-Q224 PolarHBondContact O-N 3.1Å |
| 225 | Y | 95.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -97.1 | 2.9 | 174.1 | -63.4 | -76.8 | 0 | 0 | 0 | 114.2 | Q187 C190 Q191 V222 P223 R227 T228 A229 | Q187-Y225 HydrophobicContact CB-CE2 4.41Å; Q187-Y225 HydrophobicContact CG-CE2 4.05Å; C190-Y225 HydrophobicContact CB-CD1 3.83Å; C190-Y225 HydrophobicContact CB-CD2 3.64Å; C190-Y225 HydrophobicContact CB-CE1 4.04Å; C190-Y225 HydrophobicContact CB-CE2 3.83Å; C190-Y225 HydrophobicContact CB-CG 3.66Å; Q191-Y225 HydrophobicContact CG-CE1 3.95Å; Q191-Y225 WeakPolarHBondContact CG-OH 3.18Å; Q191-Y225 PolarHBondContact NE2-OH 2.93Å; Q191-Y225 VanDerWaalsContact NE2-OH 3.13Å; V222-Y225 HydrophobicContact CB-CD2 3.78Å; V222-Y225 HydrophobicContact CB-CE2 4.19Å; V222-Y225 HydrophobicContact CG2-CD2 3.7Å; V222-Y225 HydrophobicContact CG2-CE2 4.34Å; V222-Y225 PolarHBondContact O-N 2.95Å; P223-Y225 PolarHBondContact O-N 3.46Å; Y225-R227 VanDerWaalsContact C-N 3.27Å; Y225-R227 PolarHBondContact O-N 3.27Å; Y225-T228 WeakPolarHBondContact O-CB 3.23Å; Y225-T228 PolarHBondContact O-N 3.06Å; Y225-T228 VanDerWaalsContact O-N 3.1Å; Y225-A229 PolarHBondContact O-N 3.22Å |
| 226 | K | 95.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 174.5 | -71.9 | -179.6 | -177.7 | -166.8 | 0 | 110.9 | L219 P223 T228 A229 C230 N260 D264 C265 | L219-K226 HydrophobicContact CB-CG 4.27Å; P223-K226 HydrophobicContact CB-CD 4.29Å; P223-K226 WeakPolarHBondContact O-CB 3.4Å; P223-K226 WeakPolarHBondContact O-CG 3.49Å; P223-K226 PolarHBondContact O-N 3.3Å; K226-T228 PolarHBondContact O-N 3.06Å; K226-A229 WeakPolarHBondContact O-CB 3.4Å; K226-A229 PolarHBondContact O-N 3.43Å; K226-A229 VanDerWaalsContact O-N 3.11Å; K226-C230 PolarHBondContact O-N 3.24Å; K226-C230 VanDerWaalsContact O-N 3.09Å; K226-C230 PolarHBondContact O-SG 3.43Å; K226-N260 VanDerWaalsContact CE-O 3.28Å; K226-N260 WeakPolarHBondContact CE-O 3.43Å; K226-N260 VanDerWaalsContact CE-OD1 3.29Å; K226-N260 WeakPolarHBondContact CE-OD1 3.23Å; K226-N260 PolarHBondContact NZ-O 3.28Å; K226-N260 PolarHBondContact NZ-OD1 2.98Å; K226-N260 VanDerWaalsContact NZ-OD1 3.07Å; K226-D264 IonicContact NZ-OD2 3.36Å; K226-D264 PolarHBondContact NZ-OD2 3.42Å; K226-C265 HydrophobicContact CB-CB 4.15Å |
| 227 | R | 93.9 | Very high | 94.4 | Very high | 139 Ų | 139 | 47.4 Ų | 47.4 | 53% | 0.525 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.6 | -176.4 | 175.7 | 176.6 | 164.5 | 2.4 | 112.6 | Y225 A229 C230 D231 E267 | Y225-R227 VanDerWaalsContact C-N 3.27Å; Y225-R227 PolarHBondContact O-N 3.27Å; R227-A229 PolarHBondContact O-N 3.28Å; R227-C230 WeakPolarHBondContact O-CB 3.5Å; R227-C230 PolarHBondContact O-N 3.49Å; R227-C230 VanDerWaalsContact O-N 3.1Å; R227-D231 VanDerWaalsContact O-CG 3.28Å; R227-D231 PolarHBondContact O-N 3.17Å; R227-E267 IonicContact NH1-OE1 3.73Å |
| 228 | T | 94.8 | Very high | 94.3 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.264 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -34.6 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 112 | I195 Y225 K226 Q232 | I195-T228 HydrophobicContact CD1-CG2 4.32Å; Y225-T228 WeakPolarHBondContact O-CB 3.23Å; Y225-T228 PolarHBondContact O-N 3.06Å; Y225-T228 VanDerWaalsContact O-N 3.1Å; K226-T228 PolarHBondContact O-N 3.06Å; T228-Q232 WeakPolarHBondContact O-CB 3.46Å; T228-Q232 WeakPolarHBondContact O-CG 2.9Å; T228-Q232 PolarHBondContact O-N 2.9Å; T228-Q232 VanDerWaalsContact O-N 3.08Å |
| 229 | A | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | I195 L219 Y225 K226 R227 Q232 R233 A234 I261 | I195-A229 HydrophobicContact CD1-CB 4.42Å; I195-A229 HydrophobicContact CG2-CB 4.01Å; L219-A229 HydrophobicContact CD1-CB 3.82Å; Y225-A229 PolarHBondContact O-N 3.22Å; K226-A229 WeakPolarHBondContact O-CB 3.4Å; K226-A229 PolarHBondContact O-N 3.43Å; K226-A229 VanDerWaalsContact O-N 3.11Å; R227-A229 PolarHBondContact O-N 3.28Å; A229-Q232 CarbonylContact O-C 3.56Å; A229-Q232 PolarHBondContact O-N 3.27Å; A229-R233 PolarHBondContact O-N 3.35Å; A229-A234 HydrophobicContact CB-CB 3.88Å; A229-A234 WeakPolarHBondContact O-CB 3.3Å; A229-A234 PolarHBondContact O-N 3.5Å; A229-I261 HydrophobicContact CB-CD1 4.42Å |
| 230 | C | 93 | Very high | 93.8 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 172 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | K226 R227 Q232 R233 A268 D271 | K226-C230 PolarHBondContact O-N 3.24Å; K226-C230 VanDerWaalsContact O-N 3.09Å; K226-C230 PolarHBondContact O-SG 3.43Å; R227-C230 WeakPolarHBondContact O-CB 3.5Å; R227-C230 PolarHBondContact O-N 3.49Å; R227-C230 VanDerWaalsContact O-N 3.1Å; C230-Q232 PolarHBondContact O-N 3.42Å; C230-R233 WeakPolarHBondContact O-CA 3.33Å; C230-R233 PolarHBondContact O-N 2.97Å; C230-A268 WeakPolarHBondContact SG-CB 3.48Å; C230-D271 WeakPolarHBondContact CB-OD2 3.36Å |
| 231 | D | 93.5 | Very high | 93.6 | Very high | 110 Ų | 110 | 44.3 Ų | 44.3 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.8 | -24.3 | 177.1 | -63.1 | -27.8 | 0 | 0 | 0 | 112 | R227 | R227-D231 VanDerWaalsContact O-CG 3.28Å; R227-D231 PolarHBondContact O-N 3.17Å |
| 232 | Q | 93.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 28% | 0.28 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 14 | 176.7 | -68.3 | 175.5 | 8.9 | 0 | 0 | 113.6 | V196 L199 T228 A229 C230 A234 | V196-Q232 HydrophobicContact CG2-CB 4.43Å; V196-Q232 HydrophobicContact CG2-CG 3.92Å; V196-Q232 VanDerWaalsContact N-OE1 3.12Å; L199-Q232 HydrophobicContact CD1-CB 4.18Å; L199-Q232 WeakPolarHBondContact CD1-O 3.44Å; T228-Q232 WeakPolarHBondContact O-CB 3.46Å; T228-Q232 WeakPolarHBondContact O-CG 2.9Å; T228-Q232 PolarHBondContact O-N 2.9Å; T228-Q232 VanDerWaalsContact O-N 3.08Å; A229-Q232 CarbonylContact O-C 3.56Å; A229-Q232 PolarHBondContact O-N 3.27Å; C230-Q232 PolarHBondContact O-N 3.42Å; Q232-A234 VanDerWaalsContact C-N 3.32Å; Q232-A234 PolarHBondContact O-N 3.1Å |
| 233 | R | 92.8 | Very high | 92.9 | Very high | 162 Ų | 162 | 50.5 Ų | 50.5 | 61% | 0.611 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 31.4 | 175.2 | -51.4 | -175.1 | 67.1 | -160.5 | -5.1 | 114.6 | A229 C230 I235 E236 E237 | A229-R233 PolarHBondContact O-N 3.35Å; C230-R233 WeakPolarHBondContact O-CA 3.33Å; C230-R233 PolarHBondContact O-N 2.97Å; R233-I235 PolarHBondContact O-N 2.94Å; R233-E236 WeakPolarHBondContact CA-OE2 3.49Å; R233-E236 WeakPolarHBondContact CB-OE2 3.47Å; R233-E236 IonicContact CZ-OE1 3.3Å; R233-E236 IonicContact NE-OE1 3.43Å; R233-E236 PolarHBondContact NE-OE1 3.42Å; R233-E236 IonicContact NH2-OE1 2.96Å; R233-E236 PolarHBondContact NH2-OE1 3.09Å; R233-E237 PolarHBondContact O-N 3.35Å |
| 234 | A | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -32.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L199 A229 Q232 L238 I261 | L199-A234 HydrophobicContact CD1-CB 3.96Å; L199-A234 HydrophobicContact CD2-CB 3.88Å; A229-A234 HydrophobicContact CB-CB 3.88Å; A229-A234 WeakPolarHBondContact O-CB 3.3Å; A229-A234 PolarHBondContact O-N 3.5Å; Q232-A234 VanDerWaalsContact C-N 3.32Å; Q232-A234 PolarHBondContact O-N 3.1Å; A234-L238 VanDerWaalsContact O-CB 3.3Å; A234-L238 WeakPolarHBondContact O-CB 3.29Å; A234-L238 WeakPolarHBondContact O-CD1 3.42Å; A234-L238 WeakPolarHBondContact O-CG 3.28Å; A234-L238 PolarHBondContact O-N 3.23Å; A234-I261 HydrophobicContact CB-CD1 4.1Å |
| 235 | I | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -51.1 | -178.2 | -60.4 | -58.8 | 0 | 0 | 0 | 110.1 | R233 E237 L238 I239 L258 I261 V262 A268 D271 L272 A275 | R233-I235 PolarHBondContact O-N 2.94Å; I235-E237 PolarHBondContact O-N 3.26Å; I235-L238 PolarHBondContact O-N 3.27Å; I235-I239 HydrophobicContact CG2-CD1 3.65Å; I235-I239 HydrophobicContact CG2-CG1 4.45Å; I235-I239 WeakPolarHBondContact O-CD1 3.43Å; I235-I239 WeakPolarHBondContact O-CG1 3.39Å; I235-I239 PolarHBondContact O-N 2.84Å; I235-L258 HydrophobicContact CD1-CD2 3.99Å; I235-L258 HydrophobicContact CG2-CD2 4.27Å; I235-I261 HydrophobicContact CD1-CB 4.26Å; I235-I261 HydrophobicContact CD1-CG2 3.75Å; I235-V262 HydrophobicContact CD1-CG2 4.07Å; I235-A268 HydrophobicContact CD1-CB 4.26Å; I235-D271 HydrophobicContact CB-CB 4.34Å; I235-D271 HydrophobicContact CG1-CB 4.1Å; I235-D271 HydrophobicContact CG2-CB 4.33Å; I235-L272 HydrophobicContact CG2-CB 4.29Å; I235-L272 HydrophobicContact CG2-CD1 4.43Å; I235-A275 HydrophobicContact CG2-CB 4.39Å |
| 236 | E | 91 | Very high | 91.8 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -44.3 | -179.3 | -54.7 | 100.2 | 111 | 0 | 0 | 111.8 | R233 L238 I239 N240 | R233-E236 WeakPolarHBondContact CA-OE2 3.49Å; R233-E236 WeakPolarHBondContact CB-OE2 3.47Å; R233-E236 IonicContact CZ-OE1 3.3Å; R233-E236 IonicContact NE-OE1 3.43Å; R233-E236 PolarHBondContact NE-OE1 3.42Å; R233-E236 IonicContact NH2-OE1 2.96Å; R233-E236 PolarHBondContact NH2-OE1 3.09Å; E236-L238 PolarHBondContact O-N 2.97Å; E236-I239 PolarHBondContact O-N 3.29Å; E236-N240 PolarHBondContact O-N 2.91Å; E236-N240 PolarHBondContact O-ND2 3.36Å; E236-N240 PolarHBondContact O-OD1 3.39Å |
| 237 | E | 93.1 | Very high | 91.7 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 21% | 0.21 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 179.1 | -171.8 | 71.3 | -159.9 | 0 | 0 | 111.4 | L199 T202 R233 I235 N240 L241 | L199-E237 HydrophobicContact CD2-CB 4.32Å; L199-E237 HydrophobicContact CD2-CG 4.32Å; T202-E237 PolarHBondContact OG1-OE1 3.19Å; T202-E237 VanDerWaalsContact OG1-OE1 3.12Å; R233-E237 PolarHBondContact O-N 3.35Å; I235-E237 PolarHBondContact O-N 3.26Å; E237-N240 PolarHBondContact O-N 3.2Å; E237-L241 WeakPolarHBondContact O-CG 3.33Å; E237-L241 PolarHBondContact O-N 3.09Å; E237-L241 VanDerWaalsContact O-N 3.07Å |
| 238 | L | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.2 | -32.6 | -178.9 | -66.2 | 168 | 0 | 0 | 0 | 112.7 | C212 L215 A234 I235 E236 L241 A242 A254 A257 L258 I261 | C212-L238 HydrophobicContact CB-CD2 4.49Å; L215-L238 HydrophobicContact CD2-CD1 4.18Å; L215-L238 HydrophobicContact CD2-CD2 4.47Å; A234-L238 VanDerWaalsContact O-CB 3.3Å; A234-L238 WeakPolarHBondContact O-CB 3.29Å; A234-L238 WeakPolarHBondContact O-CD1 3.42Å; A234-L238 WeakPolarHBondContact O-CG 3.28Å; A234-L238 PolarHBondContact O-N 3.23Å; I235-L238 PolarHBondContact O-N 3.27Å; E236-L238 PolarHBondContact O-N 2.97Å; L238-L241 HydrophobicContact CD2-CD1 4.41Å; L238-L241 PolarHBondContact O-N 2.85Å; L238-A242 WeakPolarHBondContact O-CB 3.37Å; L238-A242 PolarHBondContact O-N 3.34Å; L238-A254 HydrophobicContact CD2-CB 4.38Å; L238-A257 HydrophobicContact CD1-CB 3.76Å; L238-A257 HydrophobicContact CD2-CB 3.94Å; L238-L258 HydrophobicContact CB-CD1 3.86Å; L238-L258 HydrophobicContact CB-CD2 3.71Å; L238-L258 HydrophobicContact CB-CG 3.47Å; L238-L258 VanDerWaalsContact CB-CG 3.47Å; L238-L258 HydrophobicContact CD1-CD2 4.11Å; L238-L258 HydrophobicContact CD1-CG 3.98Å; L238-L258 HydrophobicContact CG-CG 4.38Å; L238-I261 HydrophobicContact CD1-CD1 3.68Å |
| 239 | I | 91.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.077 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.5 | -62.5 | 160.9 | 0 | 0 | 0 | 110.3 | I235 E236 L241 A242 Y243 L258 L272 A275 I279 | I235-I239 HydrophobicContact CG2-CD1 3.65Å; I235-I239 HydrophobicContact CG2-CG1 4.45Å; I235-I239 WeakPolarHBondContact O-CD1 3.43Å; I235-I239 WeakPolarHBondContact O-CG1 3.39Å; I235-I239 PolarHBondContact O-N 2.84Å; E236-I239 PolarHBondContact O-N 3.29Å; I239-L241 VanDerWaalsContact C-N 3.27Å; I239-L241 PolarHBondContact O-N 3.29Å; I239-A242 PolarHBondContact O-N 3.24Å; I239-A242 VanDerWaalsContact O-N 3.1Å; I239-Y243 WeakPolarHBondContact O-CB 3.17Å; I239-Y243 PolarHBondContact O-N 3.5Å; I239-L258 HydrophobicContact CG1-CD1 3.81Å; I239-L258 HydrophobicContact CG1-CD2 3.93Å; I239-L272 HydrophobicContact CD1-CD1 3.66Å; I239-L272 HydrophobicContact CG1-CD1 4.16Å; I239-A275 HydrophobicContact CD1-CB 3.38Å; I239-I279 HydrophobicContact CB-CD1 4.15Å; I239-I279 HydrophobicContact CG2-CD1 3.07Å |
| 240 | N | 90.4 | Very high | 91.6 | Very high | 63 Ų | 63 | 62.9 Ų | 62.9 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 174.9 | -68.1 | -13.7 | 0 | 0 | 0 | 110.5 | E236 E237 A242 Y243 E244 | E236-N240 PolarHBondContact O-N 2.91Å; E236-N240 PolarHBondContact O-ND2 3.36Å; E236-N240 PolarHBondContact O-OD1 3.39Å; E237-N240 PolarHBondContact O-N 3.2Å; N240-A242 PolarHBondContact O-N 2.86Å; N240-Y243 PolarHBondContact O-N 3.29Å; N240-E244 VanDerWaalsContact O-CB 3.26Å; N240-E244 WeakPolarHBondContact O-CB 3.17Å; N240-E244 WeakPolarHBondContact O-CG 3.41Å; N240-E244 PolarHBondContact O-N 3.08Å |
| 241 | L | 91.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.7 | -67.3 | 166.8 | 0 | 0 | 0 | 112.6 | T202 E237 L238 I239 Y243 T245 L250 A254 | T202-L241 HydrophobicContact CG2-CD1 3.67Å; E237-L241 WeakPolarHBondContact O-CG 3.33Å; E237-L241 PolarHBondContact O-N 3.09Å; E237-L241 VanDerWaalsContact O-N 3.07Å; L238-L241 HydrophobicContact CD2-CD1 4.41Å; L238-L241 PolarHBondContact O-N 2.85Å; I239-L241 VanDerWaalsContact C-N 3.27Å; I239-L241 PolarHBondContact O-N 3.29Å; L241-Y243 PolarHBondContact O-N 3.45Å; L241-T245 WeakPolarHBondContact O-CG2 3.3Å; L241-L250 HydrophobicContact CD2-CD2 4.26Å; L241-A254 HydrophobicContact CB-CB 3.86Å |
| 242 | A | 89.6 | Confident | 91.6 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 21% | 0.207 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.9 | -27.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L238 I239 N240 A254 V255 L258 | L238-A242 WeakPolarHBondContact O-CB 3.37Å; L238-A242 PolarHBondContact O-N 3.34Å; I239-A242 PolarHBondContact O-N 3.24Å; I239-A242 VanDerWaalsContact O-N 3.1Å; N240-A242 PolarHBondContact O-N 2.86Å; A242-A254 HydrophobicContact CB-CB 4.2Å; A242-V255 HydrophobicContact CB-CG2 3.83Å; A242-L258 HydrophobicContact CB-CD1 4.48Å |
| 243 | Y | 86.6 | Confident | 91.7 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -97.7 | -44.9 | -176.2 | -175.5 | -102.9 | 0 | 0 | 0 | 113.7 | I239 N240 L241 I283 | I239-Y243 WeakPolarHBondContact O-CB 3.17Å; I239-Y243 PolarHBondContact O-N 3.5Å; N240-Y243 PolarHBondContact O-N 3.29Å; L241-Y243 PolarHBondContact O-N 3.45Å; Y243-I283 HydrophobicContact CE2-CD1 4.35Å |
| 244 | E | 86.1 | Confident | 91.8 | Very high | 139 Ų | 139 | 56.7 Ų | 56.7 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -90.4 | -24.4 | -166.2 | -61.5 | -177.6 | 168.7 | 0 | 0 | 114 | N240 | N240-E244 VanDerWaalsContact O-CB 3.26Å; N240-E244 WeakPolarHBondContact O-CB 3.17Å; N240-E244 WeakPolarHBondContact O-CG 3.41Å; N240-E244 PolarHBondContact O-N 3.08Å |
| 245 | T | 87.2 | Confident | 91.6 | Very high | 34 Ų | 34 | 60.6 Ų | 60.6 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -78.3 | 147.9 | -178.4 | -166.7 | 0 | 0 | 0 | 0 | 111.9 | L241 D247 L250 Q251 | L241-T245 WeakPolarHBondContact O-CG2 3.3Å; T245-D247 PolarHBondContact OG1-N 3.23Å; T245-L250 HydrophobicContact CG2-CB 4.14Å; T245-L250 HydrophobicContact CG2-CD2 4.08Å; T245-L250 HydrophobicContact CG2-CG 4.05Å; T245-Q251 HydrophobicContact CG2-CB 4.47Å; T245-Q251 HydrophobicContact CG2-CG 3.4Å; T245-Q251 VanDerWaalsContact CG2-CG 3.4Å; T245-Q251 PolarHBondContact O-NE2 3.45Å | ||
| 246 | N | 89.1 | Confident | 91.6 | Very high | 161 Ų | 161 | 63 Ų | 63 | 86% | 0.861 | 32% | 0.321 | S | S | * | . | trans | -90.6 | -4.8 | 170.4 | -68.7 | -46 | 0 | 0 | 0 | 112.8 | V248 | N246-V248 PolarHBondContact O-N 3.44Š| ||
| 247 | D | 92 | Very high | 91.8 | Very high | 71 Ų | 71 | 60.8 Ų | 60.8 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | trans | -83 | 105.9 | 178.2 | -176.7 | -26.2 | 0 | 0 | 0 | 110.3 | T245 I249 L250 Q251 | T245-D247 PolarHBondContact OG1-N 3.23Å; D247-I249 PolarHBondContact O-N 2.89Å; D247-I249 WeakPolarHBondContact OD1-CA 3.45Å; D247-I249 WeakPolarHBondContact OD1-CB 3.46Å; D247-I249 PolarHBondContact OD1-N 2.93Å; D247-L250 HydrophobicContact CB-CB 3.85Å; D247-L250 PolarHBondContact O-N 3.46Å; D247-L250 VanDerWaalsContact O-N 3.14Å; D247-L250 PolarHBondContact OD1-N 3.02Å; D247-Q251 WeakPolarHBondContact O-CG 3.45Å; D247-Q251 PolarHBondContact O-N 3.01Å | ||
| 248 | V | 93.1 | Very high | 91.7 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 63% | 0.63 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.5 | -35.5 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | N246 Q251 E252 | N246-V248 PolarHBondContact O-N 3.44Å; V248-Q251 PolarHBondContact O-N 2.8Å; V248-E252 PolarHBondContact O-N 3.2Å |
| 249 | I | 94.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 179.6 | -56.8 | 176.7 | 0 | 0 | 0 | 109.2 | T209 D247 E252 K253 | T209-I249 HydrophobicContact CG2-CG2 3.72Å; D247-I249 PolarHBondContact O-N 2.89Å; D247-I249 WeakPolarHBondContact OD1-CA 3.45Å; D247-I249 WeakPolarHBondContact OD1-CB 3.46Å; D247-I249 PolarHBondContact OD1-N 2.93Å; I249-E252 PolarHBondContact O-N 3.35Å; I249-K253 WeakPolarHBondContact O-CG 3.35Å; I249-K253 PolarHBondContact O-N 2.78Å |
| 250 | L | 94.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.5 | 179.5 | 53.9 | 0 | 0 | 0 | 111.7 | A208 L241 T245 D247 E252 K253 A254 | A208-L250 HydrophobicContact CB-CD1 3.7Å; A208-L250 HydrophobicContact CB-CD2 3.82Å; A208-L250 HydrophobicContact CB-CG 4.45Å; L241-L250 HydrophobicContact CD2-CD2 4.26Å; T245-L250 HydrophobicContact CG2-CB 4.14Å; T245-L250 HydrophobicContact CG2-CD2 4.08Å; T245-L250 HydrophobicContact CG2-CG 4.05Å; D247-L250 HydrophobicContact CB-CB 3.85Å; D247-L250 PolarHBondContact O-N 3.46Å; D247-L250 VanDerWaalsContact O-N 3.14Å; D247-L250 PolarHBondContact OD1-N 3.02Å; L250-E252 VanDerWaalsContact C-N 3.35Å; L250-E252 PolarHBondContact O-N 2.9Å; L250-K253 PolarHBondContact O-N 3.18Å; L250-A254 WeakPolarHBondContact O-CB 3.5Å; L250-A254 PolarHBondContact O-N 2.83Å |
| 251 | Q | 93.1 | Very high | 91.5 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56 | -49.9 | 174.2 | -70.3 | 178.4 | -19.8 | 0 | 0 | 110.9 | T245 D247 V248 K253 A254 V255 | T245-Q251 HydrophobicContact CG2-CB 4.47Å; T245-Q251 HydrophobicContact CG2-CG 3.4Å; T245-Q251 VanDerWaalsContact CG2-CG 3.4Å; T245-Q251 PolarHBondContact O-NE2 3.45Å; D247-Q251 WeakPolarHBondContact O-CG 3.45Å; D247-Q251 PolarHBondContact O-N 3.01Å; V248-Q251 PolarHBondContact O-N 2.8Å; Q251-K253 VanDerWaalsContact C-N 3.33Å; Q251-K253 PolarHBondContact O-N 3.15Å; Q251-A254 PolarHBondContact O-N 3.14Å; Q251-V255 WeakPolarHBondContact O-CG2 3.25Å; Q251-V255 PolarHBondContact O-N 2.85Å |
| 252 | E | 93.4 | Very high | 91.4 | Very high | 111 Ų | 111 | 63.5 Ų | 63.5 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 178.6 | -169.6 | -160.5 | 124.6 | 0 | 0 | 111.3 | V248 I249 L250 V255 E256 | V248-E252 PolarHBondContact O-N 3.2Å; I249-E252 PolarHBondContact O-N 3.35Å; L250-E252 VanDerWaalsContact C-N 3.35Å; L250-E252 PolarHBondContact O-N 2.9Å; E252-V255 PolarHBondContact O-N 3.46Å; E252-E256 WeakPolarHBondContact O-CB 3.22Å; E252-E256 PolarHBondContact O-N 3.23Å |
| 253 | K | 95.7 | Very high | 91.1 | Very high | 36 Ų | 36 | 64.3 Ų | 64.3 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71 | -32.4 | -179.8 | -63.8 | -38.6 | 178.4 | -161.3 | 0 | 113.3 | T209 C212 F213 I249 L250 Q251 E256 A257 | T209-K253 HydrophobicContact CG2-CG 3.92Å; C212-K253 HydrophobicContact CB-CB 3.94Å; F213-K253 HydrophobicContact CD2-CD 4.23Å; I249-K253 WeakPolarHBondContact O-CG 3.35Å; I249-K253 PolarHBondContact O-N 2.78Å; L250-K253 PolarHBondContact O-N 3.18Å; Q251-K253 VanDerWaalsContact C-N 3.33Å; Q251-K253 PolarHBondContact O-N 3.15Å; K253-E256 WeakPolarHBondContact CD-OE2 3.39Å; K253-E256 IonicContact NZ-OE2 2.89Å; K253-E256 PolarHBondContact NZ-OE2 3.2Å; K253-A257 WeakPolarHBondContact O-CB 3.41Å; K253-A257 PolarHBondContact O-N 3.33Å |
| 254 | A | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | L238 L241 A242 L250 Q251 A257 L258 | L238-A254 HydrophobicContact CD2-CB 4.38Å; L241-A254 HydrophobicContact CB-CB 3.86Å; A242-A254 HydrophobicContact CB-CB 4.2Å; L250-A254 WeakPolarHBondContact O-CB 3.5Å; L250-A254 PolarHBondContact O-N 2.83Å; Q251-A254 PolarHBondContact O-N 3.14Å; A254-A257 PolarHBondContact O-N 3.11Å; A254-L258 WeakPolarHBondContact O-CG 3.36Å; A254-L258 PolarHBondContact O-N 3.2Å |
| 255 | V | 91 | Very high | 90.6 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | A242 Q251 E252 A257 L258 F259 | A242-V255 HydrophobicContact CB-CG2 3.83Å; Q251-V255 WeakPolarHBondContact O-CG2 3.25Å; Q251-V255 PolarHBondContact O-N 2.85Å; E252-V255 PolarHBondContact O-N 3.46Å; V255-A257 VanDerWaalsContact C-N 3.31Å; V255-A257 PolarHBondContact O-N 2.95Å; V255-L258 PolarHBondContact O-N 2.82Å; V255-F259 WeakPolarHBondContact O-CB 3.27Å; V255-F259 PolarHBondContact O-N 3.19Å |
| 256 | E | 91.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 24% | 0.243 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.2 | -174.4 | -177.5 | 165.2 | 0 | 0 | 111.2 | S216 K217 E252 K253 N260 | S216-E256 PolarHBondContact OG-O 3.2Å; K217-E256 WeakPolarHBondContact CE-OE1 3.32Å; K217-E256 IonicContact NZ-OE1 2.7Å; K217-E256 PolarHBondContact NZ-OE1 2.8Å; E252-E256 WeakPolarHBondContact O-CB 3.22Å; E252-E256 PolarHBondContact O-N 3.23Å; K253-E256 WeakPolarHBondContact CD-OE2 3.39Å; K253-E256 IonicContact NZ-OE2 2.89Å; K253-E256 PolarHBondContact NZ-OE2 3.2Å; E256-N260 WeakPolarHBondContact O-CB 3.5Å; E256-N260 PolarHBondContact O-N 2.63Å |
| 257 | A | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L238 K253 A254 V255 F259 N260 I261 | L238-A257 HydrophobicContact CD1-CB 3.76Å; L238-A257 HydrophobicContact CD2-CB 3.94Å; K253-A257 WeakPolarHBondContact O-CB 3.41Å; K253-A257 PolarHBondContact O-N 3.33Å; A254-A257 PolarHBondContact O-N 3.11Å; V255-A257 VanDerWaalsContact C-N 3.31Å; V255-A257 PolarHBondContact O-N 2.95Å; A257-F259 PolarHBondContact O-N 2.97Å; A257-N260 PolarHBondContact O-N 3.23Å; A257-I261 VanDerWaalsContact O-CG1 3.29Å; A257-I261 WeakPolarHBondContact O-CG1 3.37Å; A257-I261 PolarHBondContact O-N 3.05Å |
| 258 | L | 92.4 | Very high | 89.5 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -51.2 | 175.8 | -81.6 | 164.4 | 0 | 0 | 0 | 111.7 | I235 L238 I239 A242 A254 V255 N260 I261 V262 | I235-L258 HydrophobicContact CD1-CD2 3.99Å; I235-L258 HydrophobicContact CG2-CD2 4.27Å; L238-L258 HydrophobicContact CB-CD1 3.86Å; L238-L258 HydrophobicContact CB-CD2 3.71Å; L238-L258 HydrophobicContact CB-CG 3.47Å; L238-L258 VanDerWaalsContact CB-CG 3.47Å; L238-L258 HydrophobicContact CD1-CD2 4.11Å; L238-L258 HydrophobicContact CD1-CG 3.98Å; L238-L258 HydrophobicContact CG-CG 4.38Å; I239-L258 HydrophobicContact CG1-CD1 3.81Å; I239-L258 HydrophobicContact CG1-CD2 3.93Å; A242-L258 HydrophobicContact CB-CD1 4.48Å; A254-L258 WeakPolarHBondContact O-CG 3.36Å; A254-L258 PolarHBondContact O-N 3.2Å; V255-L258 PolarHBondContact O-N 2.82Å; L258-N260 VanDerWaalsContact C-N 3.29Å; L258-N260 PolarHBondContact O-N 2.98Å; L258-I261 PolarHBondContact O-N 3.22Å; L258-V262 WeakPolarHBondContact O-CB 3.43Å; L258-V262 VanDerWaalsContact O-CG2 3.24Å; L258-V262 WeakPolarHBondContact O-CG2 3.45Å; L258-V262 PolarHBondContact O-N 3.25Å |
| 259 | F | 90 | Very high | 89 | Confident | 149 Ų | 149 | 52.4 Ų | 52.4 | 65% | 0.654 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55.9 | -46.1 | -179.9 | 178.2 | -98.7 | 0 | 0 | 0 | 111.2 | V255 A257 I261 V262 S263 | V255-F259 WeakPolarHBondContact O-CB 3.27Å; V255-F259 PolarHBondContact O-N 3.19Å; A257-F259 PolarHBondContact O-N 2.97Å; F259-I261 PolarHBondContact O-N 3.32Å; F259-V262 PolarHBondContact O-N 2.69Å; F259-S263 WeakPolarHBondContact CE1-OG 3.25Å; F259-S263 WeakPolarHBondContact CZ-OG 3.49Å; F259-S263 WeakPolarHBondContact O-CB 3.48Å; F259-S263 PolarHBondContact O-N 2.98Å; F259-S263 PolarHBondContact O-OG 3.34Å |
| 260 | N | 89.9 | Confident | 88.5 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.4 | -169.7 | -19.2 | 0 | 0 | 0 | 112.1 | S216 K226 E256 A257 L258 V262 | S216-N260 PolarHBondContact O-ND2 3.13Å; S216-N260 PolarHBondContact OG-ND2 2.95Å; K226-N260 VanDerWaalsContact CE-O 3.28Å; K226-N260 WeakPolarHBondContact CE-O 3.43Å; K226-N260 VanDerWaalsContact CE-OD1 3.29Å; K226-N260 WeakPolarHBondContact CE-OD1 3.23Å; K226-N260 PolarHBondContact NZ-O 3.28Å; K226-N260 PolarHBondContact NZ-OD1 2.98Å; K226-N260 VanDerWaalsContact NZ-OD1 3.07Å; E256-N260 WeakPolarHBondContact O-CB 3.5Å; E256-N260 PolarHBondContact O-N 2.63Å; A257-N260 PolarHBondContact O-N 3.23Å; L258-N260 VanDerWaalsContact C-N 3.29Å; L258-N260 PolarHBondContact O-N 2.98Å; N260-V262 VanDerWaalsContact C-N 3.31Å; N260-V262 PolarHBondContact O-N 2.87Å |
| 261 | I | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 179.5 | -63.3 | 166.8 | 0 | 0 | 0 | 110.5 | L215 L219 A229 A234 I235 L238 A257 L258 F259 C265 A268 | L215-I261 HydrophobicContact CD2-CD1 4.45Å; L219-I261 HydrophobicContact CD1-CD1 3.95Å; L219-I261 HydrophobicContact CD1-CG1 3.56Å; A229-I261 HydrophobicContact CB-CD1 4.42Å; A234-I261 HydrophobicContact CB-CD1 4.1Å; I235-I261 HydrophobicContact CD1-CB 4.26Å; I235-I261 HydrophobicContact CD1-CG2 3.75Å; L238-I261 HydrophobicContact CD1-CD1 3.68Å; A257-I261 VanDerWaalsContact O-CG1 3.29Å; A257-I261 WeakPolarHBondContact O-CG1 3.37Å; A257-I261 PolarHBondContact O-N 3.05Å; L258-I261 PolarHBondContact O-N 3.22Å; F259-I261 PolarHBondContact O-N 3.32Å; I261-C265 VanDerWaalsContact O-CB 3.26Å; I261-C265 WeakPolarHBondContact O-CB 3.49Å; I261-A268 HydrophobicContact CG2-CB 3.79Å |
| 262 | V | 89 | Confident | 87.2 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.7 | -30.1 | -172.6 | 176.6 | 0 | 0 | 0 | 0 | 113.5 | I235 L258 F259 N260 D264 C265 A268 K269 L272 | I235-V262 HydrophobicContact CD1-CG2 4.07Å; L258-V262 WeakPolarHBondContact O-CB 3.43Å; L258-V262 VanDerWaalsContact O-CG2 3.24Å; L258-V262 WeakPolarHBondContact O-CG2 3.45Å; L258-V262 PolarHBondContact O-N 3.25Å; F259-V262 PolarHBondContact O-N 2.69Å; N260-V262 VanDerWaalsContact C-N 3.31Å; N260-V262 PolarHBondContact O-N 2.87Å; V262-D264 PolarHBondContact O-N 3.17Å; V262-D264 VanDerWaalsContact O-N 3.11Å; V262-C265 PolarHBondContact O-N 2.87Å; V262-A268 HydrophobicContact CB-CB 4.45Å; V262-A268 HydrophobicContact CG2-CB 4.01Å; V262-K269 HydrophobicContact CG1-CB 4.42Å; V262-K269 HydrophobicContact CG1-CG 3.62Å; V262-K269 VanDerWaalsContact O-CE 3.29Å; V262-K269 WeakPolarHBondContact O-CE 3.46Å; V262-L272 HydrophobicContact CG1-CD2 4.01Å; V262-L272 HydrophobicContact CG2-CB 4.26Å; V262-L272 HydrophobicContact CG2-CD2 4.03Å |
| 263 | S | 83.5 | Confident | 86.5 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.5 | -34.6 | -171.9 | -66.7 | 0 | 0 | 0 | 0 | 113.5 | F259 | F259-S263 WeakPolarHBondContact CE1-OG 3.25Å; F259-S263 WeakPolarHBondContact CZ-OG 3.49Å; F259-S263 WeakPolarHBondContact O-CB 3.48Å; F259-S263 PolarHBondContact O-N 2.98Å; F259-S263 PolarHBondContact O-OG 3.34Å |
| 264 | D | 79.5 | Confident | 85.7 | Confident | 124 Ų | 124 | 54.2 Ų | 54.2 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | 21.1 | -174.7 | -47.9 | -60.7 | 0 | 0 | 0 | 113.8 | K226 V262 | K226-D264 IonicContact NZ-OD2 3.36Å; K226-D264 PolarHBondContact NZ-OD2 3.42Å; V262-D264 PolarHBondContact O-N 3.17Å; V262-D264 VanDerWaalsContact O-N 3.11Å |
| 265 | C | 81.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.054 | 29% | 0.294 | C | S | . | . | trans | -132.5 | 110.6 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | K226 I261 V262 E267 A268 K269 | K226-C265 HydrophobicContact CB-CB 4.15Å; I261-C265 VanDerWaalsContact O-CB 3.26Å; I261-C265 WeakPolarHBondContact O-CB 3.49Å; V262-C265 PolarHBondContact O-N 2.87Å; C265-E267 VanDerWaalsContact C-N 3.31Å; C265-E267 PolarHBondContact O-N 2.85Å; C265-A268 HydrophobicContact CB-CB 3.65Å; C265-A268 WeakPolarHBondContact O-CB 3.43Å; C265-A268 PolarHBondContact O-N 2.93Å; C265-A268 VanDerWaalsContact O-N 3.15Å; C265-A268 PolarHBondContact SG-N 3.45Å; C265-K269 PolarHBondContact O-N 3.49Å | ||
| 266 | D | 84.8 | Confident | 84 | Confident | 101 Ų | 101 | 53.2 Ų | 53.2 | 54% | 0.54 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.3 | -32.6 | -178 | -71.8 | -23.1 | 0 | 0 | 0 | 112.1 | K269 K270 | D266-K269 PolarHBondContact O-N 3.47Å; D266-K269 IonicContact OD1-NZ 3.57Å; D266-K269 PolarHBondContact OD1-NZ 3.23Å; D266-K270 WeakPolarHBondContact O-CG 3.44Å; D266-K270 PolarHBondContact O-N 3.35Å; D266-K270 VanDerWaalsContact O-N 3.15Å |
| 267 | E | 82.5 | Confident | 83 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 168.2 | -67.1 | 84.9 | 171.1 | 0 | 0 | 111.1 | R227 C265 K269 K270 D271 | R227-E267 IonicContact NH1-OE1 3.73Å; C265-E267 VanDerWaalsContact C-N 3.31Å; C265-E267 PolarHBondContact O-N 2.85Å; E267-K269 VanDerWaalsContact C-N 3.28Å; E267-K269 PolarHBondContact O-N 3.14Å; E267-K270 WeakPolarHBondContact O-CB 3.27Å; E267-K270 PolarHBondContact O-N 3.26Å; E267-D271 PolarHBondContact O-N 3.29Å |
| 268 | A | 78.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -37 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C230 I235 I261 V262 C265 K270 D271 L272 | C230-A268 WeakPolarHBondContact SG-CB 3.48Å; I235-A268 HydrophobicContact CD1-CB 4.26Å; I261-A268 HydrophobicContact CG2-CB 3.79Å; V262-A268 HydrophobicContact CB-CB 4.45Å; V262-A268 HydrophobicContact CG2-CB 4.01Å; C265-A268 HydrophobicContact CB-CB 3.65Å; C265-A268 WeakPolarHBondContact O-CB 3.43Å; C265-A268 PolarHBondContact O-N 2.93Å; C265-A268 VanDerWaalsContact O-N 3.15Å; C265-A268 PolarHBondContact SG-N 3.45Å; A268-K270 VanDerWaalsContact C-N 3.34Å; A268-D271 PolarHBondContact O-N 3.43Å; A268-L272 VanDerWaalsContact O-CB 3.27Å; A268-L272 WeakPolarHBondContact O-CB 3.44Å; A268-L272 PolarHBondContact O-N 2.95Å |
| 269 | K | 82.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 61.1 Ų | 61.1 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.6 | -67.5 | 170.8 | -165.5 | 159 | 0 | 111.6 | V262 C265 D266 E267 A273 | V262-K269 HydrophobicContact CG1-CB 4.42Å; V262-K269 HydrophobicContact CG1-CG 3.62Å; V262-K269 VanDerWaalsContact O-CE 3.29Å; V262-K269 WeakPolarHBondContact O-CE 3.46Å; C265-K269 PolarHBondContact O-N 3.49Å; D266-K269 PolarHBondContact O-N 3.47Å; D266-K269 IonicContact OD1-NZ 3.57Å; D266-K269 PolarHBondContact OD1-NZ 3.23Å; E267-K269 VanDerWaalsContact C-N 3.28Å; E267-K269 PolarHBondContact O-N 3.14Å; K269-A273 WeakPolarHBondContact O-CB 3.19Å; K269-A273 PolarHBondContact O-N 3.39Å |
| 270 | K | 83 | Confident | 79.3 | Confident | 153 Ų | 153 | 58.2 Ų | 58.2 | 67% | 0.665 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 176.7 | -69 | 175.6 | -174.7 | 175.1 | 0 | 111.2 | D266 E267 A268 L272 A273 G274 | D266-K270 WeakPolarHBondContact O-CG 3.44Å; D266-K270 PolarHBondContact O-N 3.35Å; D266-K270 VanDerWaalsContact O-N 3.15Å; E267-K270 WeakPolarHBondContact O-CB 3.27Å; E267-K270 PolarHBondContact O-N 3.26Å; A268-K270 VanDerWaalsContact C-N 3.34Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L272 PolarHBondContact O-N 2.88Å; K270-A273 PolarHBondContact O-N 2.93Å; K270-G274 PolarHBondContact O-N 3.46Å |
| 271 | D | 81.3 | Confident | 78.1 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 34% | 0.342 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.9 | -68.1 | -10.7 | 0 | 0 | 0 | 111 | C230 I235 E267 A268 G274 A275 | C230-D271 WeakPolarHBondContact CB-OD2 3.36Å; I235-D271 HydrophobicContact CB-CB 4.34Å; I235-D271 HydrophobicContact CG1-CB 4.1Å; I235-D271 HydrophobicContact CG2-CB 4.33Å; E267-D271 PolarHBondContact O-N 3.29Å; A268-D271 PolarHBondContact O-N 3.43Å; D271-G274 PolarHBondContact O-N 3.4Å; D271-A275 WeakPolarHBondContact O-CB 3.15Å; D271-A275 PolarHBondContact O-N 3.43Å |
| 272 | L | 79.7 | Confident | 76.7 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.3 | -47 | 174.2 | 179.6 | 65.6 | 0 | 0 | 0 | 111.4 | I235 I239 V262 A268 K270 G274 A275 C276 | I235-L272 HydrophobicContact CG2-CB 4.29Å; I235-L272 HydrophobicContact CG2-CD1 4.43Å; I239-L272 HydrophobicContact CD1-CD1 3.66Å; I239-L272 HydrophobicContact CG1-CD1 4.16Å; V262-L272 HydrophobicContact CG1-CD2 4.01Å; V262-L272 HydrophobicContact CG2-CB 4.26Å; V262-L272 HydrophobicContact CG2-CD2 4.03Å; A268-L272 VanDerWaalsContact O-CB 3.27Å; A268-L272 WeakPolarHBondContact O-CB 3.44Å; A268-L272 PolarHBondContact O-N 2.95Å; K270-L272 VanDerWaalsContact C-N 3.34Å; K270-L272 PolarHBondContact O-N 2.88Å; L272-G274 VanDerWaalsContact C-N 3.3Å; L272-G274 PolarHBondContact O-N 3.41Å; L272-A275 PolarHBondContact O-N 3.05Å; L272-C276 WeakPolarHBondContact O-CB 3.42Å; L272-C276 PolarHBondContact O-N 2.79Å; L272-C276 PolarHBondContact O-SG 3.32Å; L272-C276 VanDerWaalsContact O-SG 3.35Å |
| 273 | A | 78.4 | Confident | 75.3 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K269 K270 T277 | K269-A273 WeakPolarHBondContact O-CB 3.19Å; K269-A273 PolarHBondContact O-N 3.39Å; K270-A273 PolarHBondContact O-N 2.93Å; A273-T277 WeakPolarHBondContact O-CB 3.24Å; A273-T277 PolarHBondContact O-N 2.96Å; A273-T277 PolarHBondContact O-OG1 3.26Å |
| 274 | G | 78.7 | Confident | 73.9 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K270 D271 L272 T277 Q278 | K270-G274 PolarHBondContact O-N 3.46Å; D271-G274 PolarHBondContact O-N 3.4Å; L272-G274 VanDerWaalsContact C-N 3.3Å; L272-G274 PolarHBondContact O-N 3.41Å; G274-T277 WeakPolarHBondContact O-CB 2.92Å; G274-T277 PolarHBondContact O-N 3.46Å; G274-Q278 PolarHBondContact O-N 2.92Å |
| 275 | A | 78.2 | Confident | 73.2 | Confident | 9 Ų | 9 | 71.2 Ų | 71.2 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I235 I239 D271 L272 T277 Q278 I279 | I235-A275 HydrophobicContact CG2-CB 4.39Å; I239-A275 HydrophobicContact CD1-CB 3.38Å; D271-A275 WeakPolarHBondContact O-CB 3.15Å; D271-A275 PolarHBondContact O-N 3.43Å; L272-A275 PolarHBondContact O-N 3.05Å; A275-T277 VanDerWaalsContact C-N 3.3Å; A275-T277 PolarHBondContact O-N 3.48Å; A275-Q278 WeakPolarHBondContact O-CB 3.17Å; A275-Q278 PolarHBondContact O-N 3.27Å; A275-Q278 VanDerWaalsContact O-N 3.17Å; A275-I279 WeakPolarHBondContact O-CG1 3.34Å; A275-I279 PolarHBondContact O-N 3.45Å |
| 276 | C | 72.8 | Confident | 71.9 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 173.3 | -72.8 | 0 | 0 | 0 | 0 | 111.6 | L272 Q278 I279 I280 | L272-C276 WeakPolarHBondContact O-CB 3.42Å; L272-C276 PolarHBondContact O-N 2.79Å; L272-C276 PolarHBondContact O-SG 3.32Å; L272-C276 VanDerWaalsContact O-SG 3.35Å; C276-Q278 VanDerWaalsContact C-N 3.33Å; C276-Q278 PolarHBondContact O-N 3.36Å; C276-I279 PolarHBondContact O-N 3.4Å; C276-I280 WeakPolarHBondContact O-CB 3.41Å; C276-I280 VanDerWaalsContact O-CG1 3.24Å; C276-I280 WeakPolarHBondContact O-CG1 3.47Å; C276-I280 PolarHBondContact O-N 2.83Å |
| 277 | T | 70.7 | Confident | 70.1 | Confident | 74 Ų | 74 | 73 Ų | 73 | 45% | 0.454 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | A273 G274 A275 I280 Q281 | A273-T277 WeakPolarHBondContact O-CB 3.24Å; A273-T277 PolarHBondContact O-N 2.96Å; A273-T277 PolarHBondContact O-OG1 3.26Å; G274-T277 WeakPolarHBondContact O-CB 2.92Å; G274-T277 PolarHBondContact O-N 3.46Å; A275-T277 VanDerWaalsContact C-N 3.3Å; A275-T277 PolarHBondContact O-N 3.48Å; T277-I280 PolarHBondContact O-N 2.88Å; T277-Q281 WeakPolarHBondContact O-CB 3.49Å; T277-Q281 VanDerWaalsContact O-CG 3.26Å; T277-Q281 WeakPolarHBondContact O-CG 3.5Å; T277-Q281 PolarHBondContact O-N 3.49Å |
| 278 | Q | 70 | Confident | 68.2 | Low | 122 Ų | 122 | 72.5 Ų | 72.5 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 175.7 | -73.7 | 176.9 | 7.8 | 0 | 0 | 112.1 | G274 A275 C276 Q281 C282 | G274-Q278 PolarHBondContact O-N 2.92Å; A275-Q278 WeakPolarHBondContact O-CB 3.17Å; A275-Q278 PolarHBondContact O-N 3.27Å; A275-Q278 VanDerWaalsContact O-N 3.17Å; C276-Q278 VanDerWaalsContact C-N 3.33Å; C276-Q278 PolarHBondContact O-N 3.36Å; Q278-Q281 WeakPolarHBondContact O-CB 3.49Å; Q278-Q281 PolarHBondContact O-N 3.14Å; Q278-C282 PolarHBondContact O-N 3.36Å; Q278-C282 PolarHBondContact O-SG 3.45Å |
| 279 | I | 66.3 | Low | 66.6 | Low | 37 Ų | 37 | 77.1 Ų | 77.1 | 19% | 0.19 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 178.2 | -69.9 | 163.7 | 0 | 0 | 0 | 110.9 | I239 A275 C276 Q281 C282 I283 | I239-I279 HydrophobicContact CB-CD1 4.15Å; I239-I279 HydrophobicContact CG2-CD1 3.07Å; A275-I279 WeakPolarHBondContact O-CG1 3.34Å; A275-I279 PolarHBondContact O-N 3.45Å; C276-I279 PolarHBondContact O-N 3.4Å; I279-Q281 VanDerWaalsContact C-N 3.3Å; I279-Q281 PolarHBondContact O-N 3.09Å; I279-C282 PolarHBondContact O-N 3.23Å; I279-C282 VanDerWaalsContact O-N 3.17Å; I279-I283 HydrophobicContact CG2-CD1 3.87Å; I279-I283 HydrophobicContact CG2-CG1 4.45Å; I279-I283 VanDerWaalsContact O-CG1 3.32Å; I279-I283 WeakPolarHBondContact O-CG1 3.49Å; I279-I283 PolarHBondContact O-N 3.05Å |
| 280 | I | 61.6 | Low | 64.8 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 46% | 0.456 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 174.3 | -70.7 | 168 | 0 | 0 | 0 | 110.1 | C276 T277 C282 I283 Y284 | C276-I280 WeakPolarHBondContact O-CB 3.41Å; C276-I280 VanDerWaalsContact O-CG1 3.24Å; C276-I280 WeakPolarHBondContact O-CG1 3.47Å; C276-I280 PolarHBondContact O-N 2.83Å; T277-I280 PolarHBondContact O-N 2.88Å; I280-C282 PolarHBondContact O-N 3.31Å; I280-I283 PolarHBondContact O-N 2.9Å; I280-Y284 HydrophobicContact CG2-CD2 3.54Å; I280-Y284 HydrophobicContact CG2-CE2 3.54Å; I280-Y284 WeakPolarHBondContact O-CD2 3.41Å; I280-Y284 PolarHBondContact O-N 2.79Å |
| 281 | Q | 65.4 | Low | 62.9 | Low | 122 Ų | 122 | 75.5 Ų | 75.5 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 176.5 | -75.7 | 174.5 | -9.3 | 0 | 0 | 112.7 | T277 Q278 I279 Y284 A285 | T277-Q281 WeakPolarHBondContact O-CB 3.49Å; T277-Q281 VanDerWaalsContact O-CG 3.26Å; T277-Q281 WeakPolarHBondContact O-CG 3.5Å; T277-Q281 PolarHBondContact O-N 3.49Å; Q278-Q281 WeakPolarHBondContact O-CB 3.49Å; Q278-Q281 PolarHBondContact O-N 3.14Å; I279-Q281 VanDerWaalsContact C-N 3.3Å; I279-Q281 PolarHBondContact O-N 3.09Å; Q281-Y284 PolarHBondContact O-N 3.1Å; Q281-A285 WeakPolarHBondContact O-CB 3.45Å; Q281-A285 PolarHBondContact O-N 3.26Å |
| 282 | C | 61.3 | Low | 61 | Low | 90 Ų | 90 | 78.7 Ų | 78.7 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 175.9 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | Q278 I279 I280 A285 G286 | Q278-C282 PolarHBondContact O-N 3.36Å; Q278-C282 PolarHBondContact O-SG 3.45Å; I279-C282 PolarHBondContact O-N 3.23Å; I279-C282 VanDerWaalsContact O-N 3.17Å; I280-C282 PolarHBondContact O-N 3.31Å; C282-A285 PolarHBondContact O-N 3.03Å; C282-G286 PolarHBondContact O-N 2.8Å |
| 283 | I | 59.9 | Low | 58.9 | Low | 65 Ų | 65 | 85.7 Ų | 85.7 | 33% | 0.333 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.2 | -50.2 | 174.9 | -67.8 | 166.4 | 0 | 0 | 0 | 109.6 | Y243 I279 I280 A285 G286 E287 | Y243-I283 HydrophobicContact CE2-CD1 4.35Å; I279-I283 HydrophobicContact CG2-CD1 3.87Å; I279-I283 HydrophobicContact CG2-CG1 4.45Å; I279-I283 VanDerWaalsContact O-CG1 3.32Å; I279-I283 WeakPolarHBondContact O-CG1 3.49Å; I279-I283 PolarHBondContact O-N 3.05Å; I280-I283 PolarHBondContact O-N 2.9Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.02Å; I283-G286 PolarHBondContact O-N 3.32Å; I283-E287 PolarHBondContact O-N 3.11Å |
| 284 | Y | 54.9 | Low | 57.1 | Low | 147 Ų | 147 | 89.7 Ų | 89.7 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65 | -35.5 | 177.7 | -81.7 | -66 | 0 | 0 | 0 | 112.7 | I280 Q281 V288 | I280-Y284 HydrophobicContact CG2-CD2 3.54Å; I280-Y284 HydrophobicContact CG2-CE2 3.54Å; I280-Y284 WeakPolarHBondContact O-CD2 3.41Å; I280-Y284 PolarHBondContact O-N 2.79Å; Q281-Y284 PolarHBondContact O-N 3.1Å; Y284-V288 WeakPolarHBondContact O-CB 3.46Å; Y284-V288 WeakPolarHBondContact O-CG2 3.42Å; Y284-V288 PolarHBondContact O-N 3.36Å |
| 285 | A | 64.1 | Low | 55.4 | Low | 53 Ų | 53 | 91.8 Ų | 91.8 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q281 C282 I283 V288 D289 | Q281-A285 WeakPolarHBondContact O-CB 3.45Å; Q281-A285 PolarHBondContact O-N 3.26Å; C282-A285 PolarHBondContact O-N 3.03Å; I283-A285 VanDerWaalsContact C-N 3.34Å; I283-A285 PolarHBondContact O-N 3.02Å; A285-V288 PolarHBondContact O-N 2.78Å; A285-D289 PolarHBondContact O-N 3.12Å |
| 286 | G | 55.8 | Low | 53.4 | Low | 40 Ų | 40 | 94 Ų | 94 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C282 I283 V288 D289 E290 | C282-G286 PolarHBondContact O-N 2.8Å; I283-G286 PolarHBondContact O-N 3.32Å; G286-V288 VanDerWaalsContact C-N 3.31Å; G286-V288 PolarHBondContact O-N 2.98Å; G286-D289 PolarHBondContact O-N 3.23Å; G286-E290 WeakPolarHBondContact O-CB 3.46Å; G286-E290 PolarHBondContact O-N 3.28Å |
| 287 | E | 46.3 | Very low | 51.9 | Low | 106 Ų | 106 | 94.5 Ų | 94.5 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 171.6 | -76.6 | -175 | 163.6 | 0 | 0 | 111.4 | I283 E290 V291 | I283-E287 PolarHBondContact O-N 3.11Å; E287-E290 PolarHBondContact O-N 3.33Å; E287-V291 VanDerWaalsContact O-CB 3.26Å; E287-V291 WeakPolarHBondContact O-CB 3.33Å; E287-V291 WeakPolarHBondContact O-CG2 3.39Å; E287-V291 PolarHBondContact O-N 2.94Å |
| 288 | V | 42.8 | Very low | 50.2 | Low | 65 Ų | 65 | 92.7 Ų | 92.7 | 39% | 0.394 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -35 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | Y284 A285 G286 K292 | Y284-V288 WeakPolarHBondContact O-CB 3.46Å; Y284-V288 WeakPolarHBondContact O-CG2 3.42Å; Y284-V288 PolarHBondContact O-N 3.36Å; A285-V288 PolarHBondContact O-N 2.78Å; G286-V288 VanDerWaalsContact C-N 3.31Å; G286-V288 PolarHBondContact O-N 2.98Å; V288-K292 HydrophobicContact CG1-CD 4.05Å; V288-K292 HydrophobicContact CG1-CG 4.46Å; V288-K292 VanDerWaalsContact O-CB 3.23Å; V288-K292 WeakPolarHBondContact O-CB 3.37Å; V288-K292 WeakPolarHBondContact O-CG 3.43Å; V288-K292 PolarHBondContact O-N 3.23Å |
| 289 | D | 45.4 | Very low | 48.6 | Very low | 97 Ų | 97 | 92.1 Ų | 92.1 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.1 | -33 | 174 | -87.2 | -14 | 0 | 0 | 0 | 112.5 | A285 G286 R293 | A285-D289 PolarHBondContact O-N 3.12Å; G286-D289 PolarHBondContact O-N 3.23Å; D289-R293 WeakPolarHBondContact O-CB 3.36Å; D289-R293 WeakPolarHBondContact O-CG 3.4Å; D289-R293 PolarHBondContact O-N 3.34Å |
| 290 | E | 45 | Very low | 47.1 | Very low | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.9 | -43.4 | 173.1 | -157.3 | 164 | -150.3 | 0 | 0 | 111.4 | G286 E287 K292 R293 E294 | G286-E290 WeakPolarHBondContact O-CB 3.46Å; G286-E290 PolarHBondContact O-N 3.28Å; E287-E290 PolarHBondContact O-N 3.33Å; E290-K292 VanDerWaalsContact C-N 3.35Å; E290-K292 PolarHBondContact O-N 2.99Å; E290-R293 WeakPolarHBondContact O-CB 2.94Å; E290-R293 PolarHBondContact O-N 3.16Å; E290-R293 VanDerWaalsContact O-N 3.14Å; E290-E294 PolarHBondContact O-N 3.3Å |
| 291 | V | 42.6 | Very low | 46 | Very low | 83 Ų | 83 | 95.8 Ų | 95.8 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | E287 E294 T295 | E287-V291 VanDerWaalsContact O-CB 3.26Å; E287-V291 WeakPolarHBondContact O-CB 3.33Å; E287-V291 WeakPolarHBondContact O-CG2 3.39Å; E287-V291 PolarHBondContact O-N 2.94Å; V291-E294 PolarHBondContact O-N 3.4Å; V291-T295 VanDerWaalsContact O-CB 3.27Å; V291-T295 WeakPolarHBondContact O-CB 3.38Å; V291-T295 PolarHBondContact O-N 2.75Å; V291-T295 PolarHBondContact O-OG1 2.97Å |
| 292 | K | 40.8 | Very low | 44.7 | Very low | 131 Ų | 131 | 96.8 Ų | 96.8 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.5 | -33.5 | 172.2 | -79.1 | 173.1 | -175.8 | 171.9 | 0 | 112.4 | V288 E290 A296 | V288-K292 HydrophobicContact CG1-CD 4.05Å; V288-K292 HydrophobicContact CG1-CG 4.46Å; V288-K292 VanDerWaalsContact O-CB 3.23Å; V288-K292 WeakPolarHBondContact O-CB 3.37Å; V288-K292 WeakPolarHBondContact O-CG 3.43Å; V288-K292 PolarHBondContact O-N 3.23Å; E290-K292 VanDerWaalsContact C-N 3.35Å; E290-K292 PolarHBondContact O-N 2.99Å; K292-A296 VanDerWaalsContact O-CB 3.23Å; K292-A296 WeakPolarHBondContact O-CB 3.47Å; K292-A296 PolarHBondContact O-N 3.22Å |
| 293 | R | 36.6 | Very low | 43.7 | Very low | 198 Ų | 198 | 101.6 Ų | 101.6 | 75% | 0.747 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 172.4 | -80.2 | 177.3 | -178.7 | 168.8 | 3.7 | 111.8 | D289 E290 A296 A297 | D289-R293 WeakPolarHBondContact O-CB 3.36Å; D289-R293 WeakPolarHBondContact O-CG 3.4Å; D289-R293 PolarHBondContact O-N 3.34Å; E290-R293 WeakPolarHBondContact O-CB 2.94Å; E290-R293 PolarHBondContact O-N 3.16Å; E290-R293 VanDerWaalsContact O-N 3.14Å; R293-A296 PolarHBondContact O-N 2.96Å; R293-A297 WeakPolarHBondContact O-CB 3.45Å; R293-A297 PolarHBondContact O-N 2.94Å |
| 294 | E | 40.6 | Very low | 42.7 | Very low | 141 Ų | 141 | 103 Ų | 103 | 66% | 0.659 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.6 | -36.5 | 174.1 | -74.1 | -169.4 | 152.9 | 0 | 0 | 112.3 | E290 V291 A297 G298 | E290-E294 PolarHBondContact O-N 3.3Å; V291-E294 PolarHBondContact O-N 3.4Å; E294-A297 PolarHBondContact O-N 3.33Å; E294-G298 PolarHBondContact O-N 3.34Å |
| 295 | T | 41.6 | Very low | 41.9 | Very low | 77 Ų | 77 | 107 Ų | 107 | 47% | 0.472 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.5 | -29.6 | 175.6 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | V291 N299 | V291-T295 VanDerWaalsContact O-CB 3.27Å; V291-T295 WeakPolarHBondContact O-CB 3.38Å; V291-T295 PolarHBondContact O-N 2.75Å; V291-T295 PolarHBondContact O-OG1 2.97Å; T295-N299 WeakPolarHBondContact O-CB 3.47Å; T295-N299 PolarHBondContact O-N 3.14Å; T295-N299 PolarHBondContact O-ND2 3.18Å |
| 296 | A | 37.8 | Very low | 40.8 | Very low | 56 Ų | 56 | 109.8 Ų | 109.8 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.9 | -35.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K292 R293 | K292-A296 VanDerWaalsContact O-CB 3.23Å; K292-A296 WeakPolarHBondContact O-CB 3.47Å; K292-A296 PolarHBondContact O-N 3.22Å; R293-A296 PolarHBondContact O-N 2.96Å |
| 297 | A | 40 | Very low | 40 | Very low | 62 Ų | 62 | 113.4 Ų | 113.4 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.7 | -38 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R293 E294 N299 L300 A301 | R293-A297 WeakPolarHBondContact O-CB 3.45Å; R293-A297 PolarHBondContact O-N 2.94Å; E294-A297 PolarHBondContact O-N 3.33Å; A297-N299 PolarHBondContact O-N 3.36Å; A297-L300 PolarHBondContact O-N 3.22Å; A297-A301 PolarHBondContact O-N 3.43Å |
| 298 | G | 35.5 | Very low | 39.6 | Very low | 37 Ų | 37 | 113.8 Ų | 113.8 | 38% | 0.381 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.7 | -30.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E294 L300 A301 | E294-G298 PolarHBondContact O-N 3.34Å; G298-L300 VanDerWaalsContact C-N 3.35Å; G298-A301 PolarHBondContact O-N 2.76Å |
| 299 | N | 35.6 | Very low | 39.4 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 58% | 0.583 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -82.6 | -9.6 | 176.8 | -74.8 | -37.4 | 0 | 0 | 0 | 114.3 | T295 A297 | T295-N299 WeakPolarHBondContact O-CB 3.47Å; T295-N299 PolarHBondContact O-N 3.14Å; T295-N299 PolarHBondContact O-ND2 3.18Å; A297-N299 PolarHBondContact O-N 3.36Å |
| 300 | L | 36.1 | Very low | 39.1 | Very low | 136 Ų | 136 | 117.9 Ų | 117.9 | 71% | 0.712 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -90.5 | -18.8 | 168.9 | -78.7 | 160.5 | 0 | 0 | 0 | 112.5 | A297 G298 | A297-L300 PolarHBondContact O-N 3.22Å; G298-L300 VanDerWaalsContact C-N 3.35Å |
| 301 | A | 38.5 | Very low | 38.7 | Very low | 68 Ų | 68 | 117.2 Ų | 117.2 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.5 | -25.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A297 G298 | A297-A301 PolarHBondContact O-N 3.43Å; G298-A301 PolarHBondContact O-N 2.76Å |
| 302 | N | 38.6 | Very low | 38.4 | Very low | 143 Ų | 143 | 119.6 Ų | 119.6 | 77% | 0.765 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 19.9 | -179.5 | -88.4 | -13.3 | 0 | 0 | 0 | 115.2 | ||
| 303 | K | 38.5 | Very low | 38.2 | Very low | 191 Ų | 191 | 118.8 Ų | 118.8 | 83% | 0.83 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 16.7 | 169.3 | -82.5 | -172.4 | 175.1 | 179.8 | 0 | 113.8 | ||
| 304 | S | 40 | Very low | 38.3 | Very low | 93 Ų | 93 | 112.2 Ų | 112.2 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | trans | -124.7 | 13.9 | -175.4 | -49.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 305 | N | 37.2 | Very low | 38.1 | Very low | 233 Ų | 233 | 109.5 Ų | 109.5 | 100% | 1.246 | 65% | 0.652 | S | S | * | * | trans | -139.5 | 0 | 171 | -90 | -19.5 | 0 | 0 | 0 | 110.8 |
Retrieved 305 of 305 residues in 321.8 ms
(Link to these results)