| 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 | 34.1 | Very low | 27.9 | Very low | 253 Ų | 253 | 157.8 Ų | 157.8 | 100% | 1.246 | 87% | 0.869 | S | S | * | * | 0 | 100.3 | 0 | -90.5 | 178.4 | 129.7 | 0 | 0 | 109.8 | |||||
| 2 | A | 21.3 | Very low | 27.7 | Very low | 96 Ų | 96 | 161 Ų | 161 | 79% | 0.793 | 87% | 0.868 | S | S | * | * | trans | -160.7 | 136 | 153.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 3 | P | 25.1 | Very low | 28.3 | Very low | 126 Ų | 126 | 155.8 Ų | 155.8 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | trans | -77.3 | 133.8 | -164.7 | 30.2 | -31.9 | 0 | 0 | 0 | 111.4 | K5 | P3-K5 PolarHBondContact O-N 3.15Š| ||
| 4 | A | 25.8 | Very low | 28.2 | Very low | 98 Ų | 98 | 156.3 Ų | 156.3 | 81% | 0.81 | 86% | 0.861 | S | S | * | * | trans | -60.9 | 116.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K6 | A4-K6 PolarHBondContact O-N 3.2Š| ||
| 5 | K | 27.9 | Very low | 28 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 88% | 0.878 | 85% | 0.854 | S | S | * | * | trans | -63.9 | 115.4 | 172.4 | -89.7 | 175.7 | 174.7 | 170.7 | 0 | 109.3 | P3 R7 | P3-K5 PolarHBondContact O-N 3.15Å; K5-R7 PolarHBondContact O-N 3.21Å | ||
| 6 | K | 34.7 | Very low | 28.1 | Very low | 203 Ų | 203 | 154.3 Ų | 154.3 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -46.1 | 125.2 | 161.8 | -77.6 | 178.1 | 172.9 | 178.1 | 0 | 110.2 | A4 | A4-K6 PolarHBondContact O-N 3.2Š| ||
| 7 | R | 26.9 | Very low | 28.7 | Very low | 241 Ų | 241 | 158.1 Ų | 158.1 | 91% | 0.909 | 86% | 0.858 | S | S | * | * | trans | -132.3 | 103.3 | 160.3 | -95.3 | -176.1 | 167.7 | 164 | -4.2 | 111.1 | K5 | K5-R7 PolarHBondContact O-N 3.21Š| ||
| 8 | N | 28.3 | Very low | 29.1 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 83% | 0.834 | 85% | 0.849 | S | S | * | * | trans | -8.8 | 111.8 | 151.8 | -58.1 | -19.7 | 0 | 0 | 0 | 117.4 | ||||
| 9 | V | 26.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 159.3 Ų | 159.3 | 87% | 0.873 | 85% | 0.851 | S | S | * | * | trans | -143.1 | 127.3 | 133.5 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 10 | S | 25 | Very low | 31 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 67% | 0.671 | 82% | 0.824 | S | S | * | * | trans | -70.2 | 134.7 | -172.4 | 67 | 0 | 0 | 0 | 0 | 112.6 | K12 | S10-K12 PolarHBondContact O-N 3.33Å; S10-K12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | S | 31.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -59.1 | 108.8 | 165.7 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | K | 25.8 | Very low | 33.9 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | trans | -109.9 | 100.3 | 156.5 | -85.7 | -172.6 | 176.6 | 179 | 0 | 108.8 | S10 N14 | S10-K12 PolarHBondContact O-N 3.33Å; S10-K12 VanDerWaalsContact O-N 3.15Å; K12-N14 PolarHBondContact O-N 3.3Å | ||
| 13 | A | 35.2 | Very low | 35.9 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | trans | -67.5 | 110 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 14 | N | 26.3 | Very low | 37.7 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | trans | 166.8 | 112 | 141.9 | -94.9 | -20.6 | 0 | 0 | 0 | 110.3 | K12 | K12-N14 PolarHBondContact O-N 3.3Š| ||
| 15 | A | 26 | Very low | 39.7 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | 169.9 | 121.5 | 130 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 16 | K | 29.7 | Very low | 41.8 | Very low | 189 Ų | 189 | 123.3 Ų | 123.3 | 82% | 0.822 | 64% | 0.638 | S | S | * | * | trans | 45.8 | 120.5 | 146.9 | -65.8 | 176.8 | 177.7 | 177.2 | 0 | 118.1 | I18 | K16-I18 VanDerWaalsContact C-N 3.35Å; K16-I18 PolarHBondContact O-N 3.19Å | ||
| 17 | K | 37.4 | Very low | 43.5 | Very low | 219 Ų | 219 | 118.6 Ų | 118.6 | 95% | 0.952 | 62% | 0.619 | S | S | * | * | trans | -43.3 | 93.8 | 158.3 | -77.6 | 175.5 | 173.3 | 175.9 | 0 | 110.6 | ||||
| 18 | I | 36.3 | Very low | 45.5 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 70% | 0.697 | 60% | 0.598 | S | S | * | * | trans | -86.1 | 121.1 | 162.4 | -65.3 | 168.4 | 0 | 0 | 0 | 104.1 | K16 I20 | K16-I18 VanDerWaalsContact C-N 3.35Å; K16-I18 PolarHBondContact O-N 3.19Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 3.21Å | ||
| 19 | K | 42.5 | Very low | 47.6 | Very low | 204 Ų | 204 | 105.6 Ų | 105.6 | 89% | 0.887 | 56% | 0.559 | S | S | * | * | trans | -59.5 | 103.2 | 163.8 | -133 | 179.9 | -179.8 | -174.1 | 0 | 104.8 | D21 | K19-D21 PolarHBondContact O-N 2.77Š| ||
| 20 | I | 53.2 | Low | 49.5 | Very low | 60 Ų | 60 | 100.3 Ų | 100.3 | 31% | 0.308 | 53% | 0.525 | S | S | . | . | trans | -68.5 | 119.6 | -173.2 | -64.6 | 154.6 | 0 | 0 | 0 | 107.4 | I18 F22 I25 F45 | I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 3.21Å; I20-F22 VanDerWaalsContact C-N 3.35Å; I20-F22 HydrophobicContact CB-CD2 4.27Å; I20-F22 HydrophobicContact CB-CE2 3.87Å; I20-F22 HydrophobicContact CB-CZ 4.12Å; I20-F22 HydrophobicContact CD1-CZ 4.41Å; I20-F22 HydrophobicContact CG2-CD1 4.08Å; I20-F22 HydrophobicContact CG2-CD2 4Å; I20-F22 HydrophobicContact CG2-CE1 3.9Å; I20-F22 HydrophobicContact CG2-CE2 3.82Å; I20-F22 HydrophobicContact CG2-CG 4.13Å; I20-F22 HydrophobicContact CG2-CZ 3.77Å; I20-F22 WeakPolarHBondContact O-CD2 3.38Å; I20-F22 PolarHBondContact O-N 3.1Å; I20-F22 VanDerWaalsContact O-N 3.15Å; I20-I25 HydrophobicContact CG2-CD1 4.1Å; I20-F45 HydrophobicContact CD1-CD1 4.19Å; I20-F45 HydrophobicContact CD1-CE1 3.38Å; I20-F45 HydrophobicContact CD1-CE2 4.15Å; I20-F45 HydrophobicContact CD1-CZ 3.38Å; I20-F45 HydrophobicContact CG1-CZ 4.33Å; I20-F45 HydrophobicContact CG2-CE2 4.4Å | ||
| 21 | D | 63.7 | Low | 51.7 | Low | 102 Ų | 102 | 103.4 Ų | 103.4 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | trans | -84.1 | 81.8 | 176.4 | -177.3 | 11.1 | 0 | 0 | 0 | 109.2 | K19 E23 G24 I25 | K19-D21 PolarHBondContact O-N 2.77Å; D21-E23 PolarHBondContact O-N 2.98Å; D21-E23 PolarHBondContact OD1-N 3.41Å; D21-G24 PolarHBondContact O-N 2.89Å; D21-G24 PolarHBondContact OD1-N 2.9Å; D21-I25 PolarHBondContact O-N 3.48Å; D21-I25 VanDerWaalsContact O-N 3.13Å | ||
| 22 | F | 62.5 | Low | 53.6 | Low | 22 Ų | 22 | 99.6 Ų | 99.6 | 10% | 0.096 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -60.5 | -34.3 | 177.9 | -70.9 | -78.6 | 0 | 0 | 0 | 112 | I20 I25 V26 F45 C56 A57 A60 | I20-F22 VanDerWaalsContact C-N 3.35Å; I20-F22 HydrophobicContact CB-CD2 4.27Å; I20-F22 HydrophobicContact CB-CE2 3.87Å; I20-F22 HydrophobicContact CB-CZ 4.12Å; I20-F22 HydrophobicContact CD1-CZ 4.41Å; I20-F22 HydrophobicContact CG2-CD1 4.08Å; I20-F22 HydrophobicContact CG2-CD2 4Å; I20-F22 HydrophobicContact CG2-CE1 3.9Å; I20-F22 HydrophobicContact CG2-CE2 3.82Å; I20-F22 HydrophobicContact CG2-CG 4.13Å; I20-F22 HydrophobicContact CG2-CZ 3.77Å; I20-F22 WeakPolarHBondContact O-CD2 3.38Å; I20-F22 PolarHBondContact O-N 3.1Å; I20-F22 VanDerWaalsContact O-N 3.15Å; F22-I25 PolarHBondContact O-N 2.83Å; F22-V26 WeakPolarHBondContact O-CG2 3.31Å; F22-V26 PolarHBondContact O-N 2.69Å; F22-V26 VanDerWaalsContact O-N 3.1Å; F22-F45 HydrophobicContact CE1-CB 3.87Å; F22-F45 AromaticContact CE1-CD2 3.67Å; F22-F45 HydrophobicContact CE1-CD2 3.67Å; F22-F45 HydrophobicContact CE1-CE2 4.46Å; F22-F45 AromaticContact CE1-CG 3.78Å; F22-F45 HydrophobicContact CE1-CG 3.78Å; F22-F45 HydrophobicContact CZ-CB 4.17Å; F22-F45 HydrophobicContact CZ-CD1 4.33Å; F22-F45 HydrophobicContact CZ-CD2 4.16Å; F22-F45 AromaticContact CZ-CG 3.96Å; F22-F45 HydrophobicContact CZ-CG 3.96Å; F22-C56 HydrophobicContact CD2-CB 3.86Å; F22-C56 HydrophobicContact CE2-CB 3.91Å; F22-A57 HydrophobicContact CE1-CB 4.32Å; F22-A60 HydrophobicContact CB-CB 4.08Å; F22-A60 HydrophobicContact CD1-CB 4.44Å |
| 23 | E | 63.3 | Low | 55.4 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 177 | -63.2 | -166.9 | 142 | 0 | 0 | 111.2 | D21 I25 V26 E27 K63 | D21-E23 PolarHBondContact O-N 2.98Å; D21-E23 PolarHBondContact OD1-N 3.41Å; E23-I25 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 3.21Å; E23-V26 PolarHBondContact O-N 2.85Å; E23-E27 PolarHBondContact O-N 3.28Å; E23-K63 IonicContact OE1-NZ 3.96Å; E23-K63 PolarHBondContact OE1-NZ 3.4Å |
| 24 | G | 63.5 | Low | 56.6 | Low | 16 Ų | 16 | 101.2 Ų | 101.2 | 17% | 0.165 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.3 | -28.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D21 R28 | D21-G24 PolarHBondContact O-N 2.89Å; D21-G24 PolarHBondContact OD1-N 2.9Å; G24-R28 WeakPolarHBondContact O-CB 3.31Å; G24-R28 VanDerWaalsContact O-CG 3.23Å; G24-R28 WeakPolarHBondContact O-CG 3.23Å; G24-R28 PolarHBondContact O-N 3.22Å; G24-R28 PolarHBondContact O-NE 2.99Å |
| 25 | I | 67.5 | Low | 58.6 | Low | 14 Ų | 14 | 97 Ų | 97 | 7% | 0.072 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -71.7 | -48.6 | 172.4 | -66 | 165.1 | 0 | 0 | 0 | 110.2 | I20 D21 F22 E23 E27 R28 I29 D38 V42 | I20-I25 HydrophobicContact CG2-CD1 4.1Å; D21-I25 PolarHBondContact O-N 3.48Å; D21-I25 VanDerWaalsContact O-N 3.13Å; F22-I25 PolarHBondContact O-N 2.83Å; E23-I25 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 3.21Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.34Å; I25-R28 PolarHBondContact O-N 3.33Å; I25-R28 VanDerWaalsContact O-N 3.15Å; I25-I29 HydrophobicContact CG2-CD1 3.81Å; I25-I29 WeakPolarHBondContact O-CG1 3.28Å; I25-I29 PolarHBondContact O-N 3.32Å; I25-I29 VanDerWaalsContact O-N 3.07Å; I25-D38 HydrophobicContact CG2-CB 4.17Å; I25-V42 HydrophobicContact CG2-CG2 3.84Å |
| 26 | V | 71.4 | Confident | 60.4 | Low | 9 Ų | 9 | 93.1 Ų | 93.1 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | F22 E23 R28 I29 L30 A60 K63 L64 | F22-V26 WeakPolarHBondContact O-CG2 3.31Å; F22-V26 PolarHBondContact O-N 2.69Å; F22-V26 VanDerWaalsContact O-N 3.1Å; E23-V26 PolarHBondContact O-N 2.85Å; V26-R28 VanDerWaalsContact C-N 3.32Å; V26-R28 PolarHBondContact O-N 3.43Å; V26-I29 PolarHBondContact O-N 3.43Å; V26-L30 HydrophobicContact CG1-CD1 3.87Å; V26-L30 HydrophobicContact CG1-CG 4.41Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.33Å; V26-L30 PolarHBondContact O-N 3.48Å; V26-A60 HydrophobicContact CG2-CB 3.8Å; V26-A60 WeakPolarHBondContact CG2-O 3.48Å; V26-K63 HydrophobicContact CG1-CB 4.3Å; V26-L64 HydrophobicContact CG1-CB 4.03Å; V26-L64 HydrophobicContact CG1-CD1 4.24Å; V26-L64 HydrophobicContact CG2-CB 4.32Å |
| 27 | E | 71.1 | Confident | 62.5 | Low | 104 Ų | 104 | 89.1 Ų | 89.1 | 49% | 0.486 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 176.7 | -78.4 | -161.7 | -174.4 | 0 | 0 | 113.3 | E23 I25 L30 K31 | E23-E27 PolarHBondContact O-N 3.28Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.34Å; E27-L30 PolarHBondContact O-N 2.93Å; E27-K31 WeakPolarHBondContact O-CB 3.38Å; E27-K31 VanDerWaalsContact O-CG 3.25Å; E27-K31 WeakPolarHBondContact O-CG 3.49Å; E27-K31 PolarHBondContact O-N 3.24Å; E27-K31 IonicContact OE2-NZ 3.99Å; E27-K31 PolarHBondContact OE2-NZ 3.31Å |
| 28 | R | 69.9 | Low | 64.2 | Low | 122 Ų | 122 | 80.3 Ų | 80.3 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 177.8 | -80.1 | -177.9 | -70.8 | 164.2 | -1.8 | 111.7 | G24 I25 V26 L30 K31 S32 | G24-R28 WeakPolarHBondContact O-CB 3.31Å; G24-R28 VanDerWaalsContact O-CG 3.23Å; G24-R28 WeakPolarHBondContact O-CG 3.23Å; G24-R28 PolarHBondContact O-N 3.22Å; G24-R28 PolarHBondContact O-NE 2.99Å; I25-R28 PolarHBondContact O-N 3.33Å; I25-R28 VanDerWaalsContact O-N 3.15Å; V26-R28 VanDerWaalsContact C-N 3.32Å; V26-R28 PolarHBondContact O-N 3.43Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3.09Å; R28-K31 PolarHBondContact O-N 3.45Å; R28-S32 PolarHBondContact O-N 3.06Å |
| 29 | I | 71.1 | Confident | 66 | Low | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.7 | -61.7 | 161.7 | 0 | 0 | 0 | 110.2 | I25 V26 K31 D38 V39 L64 | I25-I29 HydrophobicContact CG2-CD1 3.81Å; I25-I29 WeakPolarHBondContact O-CG1 3.28Å; I25-I29 PolarHBondContact O-N 3.32Å; I25-I29 VanDerWaalsContact O-N 3.07Å; V26-I29 PolarHBondContact O-N 3.43Å; I29-K31 PolarHBondContact O-N 3.07Å; I29-D38 HydrophobicContact CD1-CB 4.08Å; I29-D38 HydrophobicContact CG1-CB 4.02Å; I29-V39 HydrophobicContact CD1-CG2 3.87Å; I29-V39 HydrophobicContact CG2-CG2 4.14Å; I29-L64 HydrophobicContact CB-CD1 3.97Å; I29-L64 HydrophobicContact CD1-CD1 4.46Å; I29-L64 HydrophobicContact CD1-CD2 4.23Å; I29-L64 HydrophobicContact CG2-CD1 3.64Å |
| 30 | L | 66.6 | Low | 67.5 | Low | 32 Ų | 32 | 68.2 Ų | 68.2 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.9 | -25 | 179.4 | -69.5 | 174 | 0 | 0 | 0 | 114.4 | V26 E27 R28 L64 T67 L68 R71 | V26-L30 HydrophobicContact CG1-CD1 3.87Å; V26-L30 HydrophobicContact CG1-CG 4.41Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.33Å; V26-L30 PolarHBondContact O-N 3.48Å; E27-L30 PolarHBondContact O-N 2.93Å; R28-L30 VanDerWaalsContact C-N 3.32Å; R28-L30 PolarHBondContact O-N 3.09Å; L30-L64 HydrophobicContact CD2-CD1 4.07Å; L30-L64 HydrophobicContact CG-CD1 4.12Å; L30-T67 HydrophobicContact CD1-CG2 4.41Å; L30-T67 WeakPolarHBondContact CD1-OG1 3.48Å; L30-T67 VanDerWaalsContact CD2-OG1 3.24Å; L30-T67 WeakPolarHBondContact CD2-OG1 3.23Å; L30-L68 HydrophobicContact CD2-CD2 4.3Å; L30-L68 HydrophobicContact CD2-CG 4.32Å; L30-R71 PolarHBondContact O-NH1 3.45Å |
| 31 | K | 72.6 | Confident | 68.6 | Low | 161 Ų | 161 | 68.9 Ų | 68.9 | 70% | 0.7 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -90.2 | -29.6 | 179.8 | -74.1 | 170.8 | -173.8 | 162.8 | 0 | 113.1 | E27 R28 I29 | E27-K31 WeakPolarHBondContact O-CB 3.38Å; E27-K31 VanDerWaalsContact O-CG 3.25Å; E27-K31 WeakPolarHBondContact O-CG 3.49Å; E27-K31 PolarHBondContact O-N 3.24Å; E27-K31 IonicContact OE2-NZ 3.99Å; E27-K31 PolarHBondContact OE2-NZ 3.31Å; R28-K31 PolarHBondContact O-N 3.45Å; I29-K31 PolarHBondContact O-N 3.07Å |
| 32 | S | 69.6 | Low | 69.2 | Low | 41 Ų | 41 | 64 Ų | 64 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -143.6 | 118.5 | -174.6 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | R28 K34 H35 | R28-S32 PolarHBondContact O-N 3.06Å; S32-K34 PolarHBondContact O-N 3.44Å; S32-H35 PolarHBondContact O-N 3.32Å | ||
| 33 | R | 63.9 | Low | 69.9 | Low | 136 Ų | 136 | 63.6 Ų | 63.6 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -60.7 | -16.2 | 178.2 | -63.5 | 179.2 | 177.1 | -168.5 | -10 | 114 | H35 D73 D93 Y96 | R33-H35 PolarHBondContact O-N 3.07Å; R33-D73 IonicContact NH2-OD1 3.23Å; R33-D93 IonicContact CZ-OD1 3.05Å; R33-D93 VanDerWaalsContact CZ-OD1 3.28Å; R33-D93 IonicContact NH1-OD1 3.94Å; R33-D93 PolarHBondContact NH1-OD1 2.91Å; R33-D93 IonicContact NH2-OD1 3.37Å; R33-D93 PolarHBondContact NH2-OD1 2.93Å; R33-Y96 HydrophobicContact CB-CD2 4.37Å; R33-Y96 HydrophobicContact CB-CE2 3.91Å; R33-Y96 HydrophobicContact CG-CE2 4.1Å |
| 34 | K | 60.9 | Low | 70.8 | Confident | 189 Ų | 189 | 64.6 Ų | 64.6 | 82% | 0.822 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -70.6 | -19.2 | 175.9 | -65.8 | -175.8 | 178.1 | -179.6 | 0 | 113 | S32 | S32-K34 PolarHBondContact O-N 3.44Š|
| 35 | H | 67.1 | Low | 71.5 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -97.1 | 14.2 | -179.6 | -70.4 | -70.9 | 0 | 0 | 0 | 113.4 | S32 R33 N37 D38 | S32-H35 PolarHBondContact O-N 3.32Å; R33-H35 PolarHBondContact O-N 3.07Å; H35-N37 PolarHBondContact O-N 3.23Å; H35-N37 VanDerWaalsContact O-N 3.09Å; H35-D38 WeakPolarHBondContact CB-OD2 3.3Å; H35-D38 IonicContact CG-OD2 3.72Å; H35-D38 IonicContact ND1-OD2 3.92Å; H35-D38 PolarHBondContact ND1-OD2 2.83Å; H35-D38 VanDerWaalsContact O-CB 3.27Å; H35-D38 WeakPolarHBondContact O-CB 3.48Å; H35-D38 PolarHBondContact O-N 2.97Å |
| 36 | A | 64.7 | Low | 72 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -62.1 | -18.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D38 V39 Y96 F99 M100 | A36-D38 VanDerWaalsContact C-N 3.26Å; A36-D38 PolarHBondContact O-N 3.11Å; A36-V39 WeakPolarHBondContact O-CB 3.38Å; A36-V39 VanDerWaalsContact O-CG2 3.22Å; A36-V39 WeakPolarHBondContact O-CG2 3.4Å; A36-V39 PolarHBondContact O-N 2.89Å; A36-Y96 HydrophobicContact CB-CD2 4.32Å; A36-Y96 HydrophobicContact CB-CE2 3.61Å; A36-F99 HydrophobicContact CB-CE1 4.32Å; A36-M100 HydrophobicContact CB-SD 4.2Å |
| 37 | N | 73.4 | Confident | 72.4 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -71 | -22.3 | 172.5 | -68.7 | -23.9 | 0 | 0 | 0 | 112.6 | H35 V39 F40 | H35-N37 PolarHBondContact O-N 3.23Å; H35-N37 VanDerWaalsContact O-N 3.09Å; N37-V39 PolarHBondContact O-N 3.34Å; N37-V39 VanDerWaalsContact O-N 3.07Å; N37-F40 WeakPolarHBondContact O-CB 2.91Å; N37-F40 WeakPolarHBondContact O-CD2 3.23Å; N37-F40 PolarHBondContact O-N 3.44Å |
| 38 | D | 72.7 | Confident | 72.9 | Confident | 33 Ų | 33 | 68.3 Ų | 68.3 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -67.1 | -11 | 179.1 | -55.9 | -2 | 0 | 0 | 0 | 111.3 | I25 I29 H35 A36 F40 D41 | I25-D38 HydrophobicContact CG2-CB 4.17Å; I29-D38 HydrophobicContact CD1-CB 4.08Å; I29-D38 HydrophobicContact CG1-CB 4.02Å; H35-D38 WeakPolarHBondContact CB-OD2 3.3Å; H35-D38 IonicContact CG-OD2 3.72Å; H35-D38 IonicContact ND1-OD2 3.92Å; H35-D38 PolarHBondContact ND1-OD2 2.83Å; H35-D38 VanDerWaalsContact O-CB 3.27Å; H35-D38 WeakPolarHBondContact O-CB 3.48Å; H35-D38 PolarHBondContact O-N 2.97Å; A36-D38 VanDerWaalsContact C-N 3.26Å; A36-D38 PolarHBondContact O-N 3.11Å; D38-F40 PolarHBondContact O-N 2.98Å; D38-D41 PolarHBondContact O-N 3.26Å |
| 39 | V | 74.1 | Confident | 73 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -32.3 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | I29 A36 N37 D41 V42 L43 L64 F65 M100 R103 | I29-V39 HydrophobicContact CD1-CG2 3.87Å; I29-V39 HydrophobicContact CG2-CG2 4.14Å; A36-V39 WeakPolarHBondContact O-CB 3.38Å; A36-V39 VanDerWaalsContact O-CG2 3.22Å; A36-V39 WeakPolarHBondContact O-CG2 3.4Å; A36-V39 PolarHBondContact O-N 2.89Å; N37-V39 PolarHBondContact O-N 3.34Å; N37-V39 VanDerWaalsContact O-N 3.07Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.32Å; V39-V42 PolarHBondContact O-N 2.86Å; V39-L43 HydrophobicContact CG1-CD1 4.23Å; V39-L43 HydrophobicContact CG1-CG 4.33Å; V39-L43 WeakPolarHBondContact O-CG 3.02Å; V39-L43 PolarHBondContact O-N 3.09Å; V39-L64 HydrophobicContact CG2-CD2 4.02Å; V39-F65 HydrophobicContact CG1-CZ 4.25Å; V39-M100 HydrophobicContact CG2-CE 4.02Å; V39-M100 HydrophobicContact CG2-SD 4.27Å; V39-R103 HydrophobicContact CG1-CB 4.11Å; V39-R103 HydrophobicContact CG1-CG 4.36Å |
| 40 | F | 75.3 | Confident | 73.5 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 37% | 0.373 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.2 | -77.5 | -77.5 | 0 | 0 | 0 | 112.2 | N37 D38 V42 L43 E44 F99 R103 | N37-F40 WeakPolarHBondContact O-CB 2.91Å; N37-F40 WeakPolarHBondContact O-CD2 3.23Å; N37-F40 PolarHBondContact O-N 3.44Å; D38-F40 PolarHBondContact O-N 2.98Å; F40-V42 VanDerWaalsContact C-N 3.3Å; F40-V42 PolarHBondContact O-N 3.18Å; F40-L43 PolarHBondContact O-N 3.38Å; F40-E44 WeakPolarHBondContact O-CB 3.05Å; F40-E44 PolarHBondContact O-N 3.46Å; F40-F99 HydrophobicContact CE2-CE2 4.18Å; F40-F99 AromaticContact CE2-CZ 3.73Å; F40-F99 HydrophobicContact CE2-CZ 3.73Å; F40-F99 HydrophobicContact CZ-CE2 4.32Å; F40-F99 HydrophobicContact CZ-CZ 4.24Å; F40-R103 VanDerWaalsContact CZ-NH1 3.34Å |
| 41 | D | 75.6 | Confident | 74.2 | Confident | 73 Ų | 73 | 80.7 Ų | 80.7 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 177.1 | -59.8 | -18 | 0 | 0 | 0 | 109.8 | D38 V39 L43 E44 F45 | D38-D41 PolarHBondContact O-N 3.26Å; V39-D41 VanDerWaalsContact C-N 3.31Å; V39-D41 PolarHBondContact O-N 3.32Å; D41-L43 PolarHBondContact O-N 3.11Å; D41-E44 PolarHBondContact O-N 2.97Å; D41-F45 HydrophobicContact CB-CE2 4.45Å; D41-F45 WeakPolarHBondContact O-CD2 3.5Å; D41-F45 PolarHBondContact O-N 3.24Å |
| 42 | V | 76.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 177.4 | -171 | 0 | 0 | 0 | 0 | 111.6 | I25 V39 F40 F45 L46 A60 C61 | I25-V42 HydrophobicContact CG2-CG2 3.84Å; V39-V42 PolarHBondContact O-N 2.86Å; F40-V42 VanDerWaalsContact C-N 3.3Å; F40-V42 PolarHBondContact O-N 3.18Å; V42-F45 PolarHBondContact O-N 3.42Å; V42-L46 PolarHBondContact O-N 3.25Å; V42-L46 VanDerWaalsContact O-N 3.15Å; V42-A60 HydrophobicContact CG1-CB 4.15Å; V42-C61 WeakPolarHBondContact CG1-SG 3.46Å |
| 43 | L | 78 | Confident | 75.2 | Confident | 13 Ų | 13 | 81.1 Ų | 81.1 | 7% | 0.068 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.2 | -34 | 176.1 | -67.3 | 176.3 | 0 | 0 | 0 | 112.6 | V39 F40 D41 F45 L46 C107 I110 | V39-L43 HydrophobicContact CG1-CD1 4.23Å; V39-L43 HydrophobicContact CG1-CG 4.33Å; V39-L43 WeakPolarHBondContact O-CG 3.02Å; V39-L43 PolarHBondContact O-N 3.09Å; F40-L43 PolarHBondContact O-N 3.38Å; D41-L43 PolarHBondContact O-N 3.11Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-L46 HydrophobicContact CD2-CD1 3.83Å; L43-L46 WeakPolarHBondContact O-CB 3.26Å; L43-L46 PolarHBondContact O-N 3.46Å; L43-C107 HydrophobicContact CD2-CB 3.9Å; L43-I110 HydrophobicContact CD2-CD1 4.3Å |
| 44 | E | 81.8 | Confident | 76 | Confident | 134 Ų | 134 | 74.8 Ų | 74.8 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 173.9 | -172.6 | 176.8 | -179.3 | 0 | 0 | 110.9 | F40 D41 L46 Q47 S48 | F40-E44 WeakPolarHBondContact O-CB 3.05Å; F40-E44 PolarHBondContact O-N 3.46Å; D41-E44 PolarHBondContact O-N 2.97Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.42Å; E44-Q47 PolarHBondContact O-N 3.08Å; E44-S48 PolarHBondContact O-N 3.47Å |
| 45 | F | 78.3 | Confident | 77.1 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 23% | 0.228 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -25.9 | 175.8 | -71.8 | -62.9 | 0 | 0 | 0 | 114 | I20 F22 D41 V42 L43 Q47 S48 A57 | I20-F45 HydrophobicContact CD1-CD1 4.19Å; I20-F45 HydrophobicContact CD1-CE1 3.38Å; I20-F45 HydrophobicContact CD1-CE2 4.15Å; I20-F45 HydrophobicContact CD1-CZ 3.38Å; I20-F45 HydrophobicContact CG1-CZ 4.33Å; I20-F45 HydrophobicContact CG2-CE2 4.4Å; F22-F45 HydrophobicContact CE1-CB 3.87Å; F22-F45 AromaticContact CE1-CD2 3.67Å; F22-F45 HydrophobicContact CE1-CD2 3.67Å; F22-F45 HydrophobicContact CE1-CE2 4.46Å; F22-F45 AromaticContact CE1-CG 3.78Å; F22-F45 HydrophobicContact CE1-CG 3.78Å; F22-F45 HydrophobicContact CZ-CB 4.17Å; F22-F45 HydrophobicContact CZ-CD1 4.33Å; F22-F45 HydrophobicContact CZ-CD2 4.16Å; F22-F45 AromaticContact CZ-CG 3.96Å; F22-F45 HydrophobicContact CZ-CG 3.96Å; D41-F45 HydrophobicContact CB-CE2 4.45Å; D41-F45 WeakPolarHBondContact O-CD2 3.5Å; D41-F45 PolarHBondContact O-N 3.24Å; V42-F45 PolarHBondContact O-N 3.42Å; L43-F45 VanDerWaalsContact C-N 3.34Å; F45-Q47 PolarHBondContact O-N 3.03Å; F45-S48 WeakPolarHBondContact O-CB 3.09Å; F45-S48 PolarHBondContact O-N 2.91Å; F45-A57 HydrophobicContact CB-CB 3.92Å |
| 46 | L | 77.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -32.5 | 169 | -70.7 | 173.2 | 0 | 0 | 0 | 111.5 | V42 L43 E44 S48 A57 V58 I110 H114 | V42-L46 PolarHBondContact O-N 3.25Å; V42-L46 VanDerWaalsContact O-N 3.15Å; L43-L46 HydrophobicContact CD2-CD1 3.83Å; L43-L46 WeakPolarHBondContact O-CB 3.26Å; L43-L46 PolarHBondContact O-N 3.46Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.42Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 3.36Å; L46-A57 HydrophobicContact CD2-CB 3.76Å; L46-A57 HydrophobicContact CG-CB 4.05Å; L46-V58 HydrophobicContact CD2-CB 4.36Å; L46-V58 HydrophobicContact CD2-CG2 3.58Å; L46-I110 HydrophobicContact CB-CG2 3.81Å; L46-I110 HydrophobicContact CD1-CG2 4.14Å; L46-H114 PolarHBondContact O-CE1 3.08Å; L46-H114 PolarHBondContact O-NE2 2.96Å |
| 47 | Q | 80.8 | Confident | 78.7 | Confident | 132 Ų | 132 | 66.5 Ų | 66.5 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 10.4 | 179.2 | -62.1 | -177.3 | -15.3 | 0 | 0 | 113.4 | E44 F45 I110 | E44-Q47 PolarHBondContact O-N 3.08Å; F45-Q47 PolarHBondContact O-N 3.03Å; Q47-I110 HydrophobicContact CG-CD1 4.46Å |
| 48 | S | 80.3 | Confident | 79.2 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | trans | -70.2 | 147.4 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | E44 F45 L46 K50 V54 | E44-S48 PolarHBondContact O-N 3.47Å; F45-S48 WeakPolarHBondContact O-CB 3.09Å; F45-S48 PolarHBondContact O-N 2.91Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 3.36Å; S48-K50 PolarHBondContact O-N 3.27Å; S48-K50 PolarHBondContact OG-N 3.02Å; S48-V54 WeakPolarHBondContact O-CG2 3.48Å | ||
| 49 | E | 72.2 | Confident | 79.7 | Confident | 196 Ų | 196 | 63.4 Ų | 63.4 | 92% | 0.916 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -69.7 | -15.6 | 173.6 | -64.8 | -179 | 173.7 | 0 | 0 | 113 | ||
| 50 | K | 81.1 | Confident | 80.1 | Confident | 137 Ų | 137 | 63.6 Ų | 63.6 | 60% | 0.596 | 31% | 0.309 | S | S | * | . | trans | -90.7 | 110.6 | -177.1 | -71.8 | 171.8 | 179.8 | 169.9 | 0 | 111.4 | S48 K52 D53 V54 | S48-K50 PolarHBondContact O-N 3.27Å; S48-K50 PolarHBondContact OG-N 3.02Å; K50-K52 VanDerWaalsContact C-N 3.28Å; K50-K52 PolarHBondContact O-N 3.22Å; K50-K52 VanDerWaalsContact O-N 3.15Å; K50-D53 HydrophobicContact CB-CB 4.07Å; K50-D53 WeakPolarHBondContact CB-OD2 3.27Å; K50-D53 WeakPolarHBondContact CD-OD2 3.43Å; K50-D53 WeakPolarHBondContact O-CB 3.43Å; K50-D53 PolarHBondContact O-N 3.01Å; K50-V54 WeakPolarHBondContact O-CG2 3.5Å; K50-V54 PolarHBondContact O-N 3.37Å | ||
| 51 | E | 81.8 | Confident | 80.5 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -49.8 | -43.3 | -179.7 | -58 | 173.9 | 159.8 | 0 | 0 | 113.9 | D53 V54 I55 T119 V122 | E51-D53 VanDerWaalsContact C-N 3.34Å; E51-D53 PolarHBondContact O-N 3.48Å; E51-V54 PolarHBondContact O-N 3.39Å; E51-I55 WeakPolarHBondContact O-CG1 3.33Å; E51-I55 PolarHBondContact O-N 3.22Å; E51-T119 WeakPolarHBondContact OE1-CB 3.45Å; E51-T119 WeakPolarHBondContact OE1-CG2 3.28Å; E51-T119 PolarHBondContact OE1-OG1 3.41Å; E51-V122 HydrophobicContact CB-CG2 4.19Å; E51-V122 HydrophobicContact CG-CG2 4.47Å |
| 52 | K | 81.3 | Confident | 80.9 | Confident | 169 Ų | 169 | 56.7 Ų | 56.7 | 74% | 0.735 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 179.3 | -65.4 | -171.7 | 178.4 | -174.9 | 0 | 112.8 | K50 V54 C56 | K50-K52 VanDerWaalsContact C-N 3.28Å; K50-K52 PolarHBondContact O-N 3.22Å; K50-K52 VanDerWaalsContact O-N 3.15Å; K52-V54 VanDerWaalsContact C-N 3.35Å; K52-C56 PolarHBondContact O-N 2.95Å; K52-C56 VanDerWaalsContact O-N 3.1Å; K52-C56 PolarHBondContact O-SG 3.42Å; K52-C56 VanDerWaalsContact O-SG 3.34Å |
| 53 | D | 81.4 | Confident | 81.2 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.7 | -36.9 | 179 | -63 | -16.4 | 0 | 0 | 0 | 109.6 | K50 E51 C56 A57 | K50-D53 HydrophobicContact CB-CB 4.07Å; K50-D53 WeakPolarHBondContact CB-OD2 3.27Å; K50-D53 WeakPolarHBondContact CD-OD2 3.43Å; K50-D53 WeakPolarHBondContact O-CB 3.43Å; K50-D53 PolarHBondContact O-N 3.01Å; E51-D53 VanDerWaalsContact C-N 3.34Å; E51-D53 PolarHBondContact O-N 3.48Å; D53-C56 PolarHBondContact O-N 3.39Å; D53-A57 VanDerWaalsContact O-CB 3.3Å; D53-A57 WeakPolarHBondContact O-CB 3.38Å; D53-A57 PolarHBondContact O-N 3Å |
| 54 | V | 82.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | S48 K50 E51 K52 C56 A57 V58 V122 | S48-V54 WeakPolarHBondContact O-CG2 3.48Å; K50-V54 WeakPolarHBondContact O-CG2 3.5Å; K50-V54 PolarHBondContact O-N 3.37Å; E51-V54 PolarHBondContact O-N 3.39Å; K52-V54 VanDerWaalsContact C-N 3.35Å; V54-C56 PolarHBondContact O-N 3.02Å; V54-A57 CarbonylContact O-C 3.59Å; V54-A57 WeakPolarHBondContact O-CB 3.32Å; V54-A57 PolarHBondContact O-N 3.14Å; V54-A57 VanDerWaalsContact O-N 3.12Å; V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-V58 VanDerWaalsContact O-CG2 3.29Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.35Å; V54-V122 HydrophobicContact CG1-CG1 3.91Å |
| 55 | I | 83.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.195 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 178.9 | -66.1 | 164.3 | 0 | 0 | 0 | 111 | E51 A57 V58 D59 E121 V122 | E51-I55 WeakPolarHBondContact O-CG1 3.33Å; E51-I55 PolarHBondContact O-N 3.22Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 3.05Å; I55-V58 PolarHBondContact O-N 3Å; I55-D59 PolarHBondContact O-N 3.48Å; I55-E121 HydrophobicContact CD1-CB 4.14Å; I55-V122 HydrophobicContact CD1-CG2 4.47Å; I55-V122 HydrophobicContact CG1-CG2 4.28Å |
| 56 | C | 82.4 | Confident | 81.6 | Confident | 58 Ų | 58 | 52.5 Ų | 52.5 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 176 | -70 | 0 | 0 | 0 | 0 | 112.7 | F22 K52 D53 V54 D59 A60 | F22-C56 HydrophobicContact CD2-CB 3.86Å; F22-C56 HydrophobicContact CE2-CB 3.91Å; K52-C56 PolarHBondContact O-N 2.95Å; K52-C56 VanDerWaalsContact O-N 3.1Å; K52-C56 PolarHBondContact O-SG 3.42Å; K52-C56 VanDerWaalsContact O-SG 3.34Å; D53-C56 PolarHBondContact O-N 3.39Å; V54-C56 PolarHBondContact O-N 3.02Å; C56-D59 PolarHBondContact O-N 3.26Å; C56-A60 WeakPolarHBondContact O-CB 3.26Å; C56-A60 PolarHBondContact O-N 3.46Å |
| 57 | A | 82.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F22 F45 L46 D53 V54 I55 A60 C61 | F22-A57 HydrophobicContact CE1-CB 4.32Å; F45-A57 HydrophobicContact CB-CB 3.92Å; L46-A57 HydrophobicContact CD2-CB 3.76Å; L46-A57 HydrophobicContact CG-CB 4.05Å; D53-A57 VanDerWaalsContact O-CB 3.3Å; D53-A57 WeakPolarHBondContact O-CB 3.38Å; D53-A57 PolarHBondContact O-N 3Å; V54-A57 CarbonylContact O-C 3.59Å; V54-A57 WeakPolarHBondContact O-CB 3.32Å; V54-A57 PolarHBondContact O-N 3.14Å; V54-A57 VanDerWaalsContact O-N 3.12Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 3.05Å; A57-A60 WeakPolarHBondContact O-CB 3.48Å; A57-A60 PolarHBondContact O-N 3.46Å; A57-C61 WeakPolarHBondContact O-CB 3.32Å; A57-C61 PolarHBondContact O-N 3.04Å; A57-C61 PolarHBondContact O-SG 3.15Å |
| 58 | V | 84 | Confident | 81.6 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L46 V54 I55 A60 C61 C62 L111 S125 C129 | L46-V58 HydrophobicContact CD2-CB 4.36Å; L46-V58 HydrophobicContact CD2-CG2 3.58Å; V54-V58 HydrophobicContact CG1-CG2 4.31Å; V54-V58 VanDerWaalsContact O-CG2 3.29Å; V54-V58 WeakPolarHBondContact O-CG2 3.49Å; V54-V58 PolarHBondContact O-N 3.35Å; I55-V58 PolarHBondContact O-N 3Å; V58-A60 VanDerWaalsContact C-N 3.34Å; V58-A60 PolarHBondContact O-N 3.05Å; V58-C61 PolarHBondContact O-N 3.25Å; V58-C62 WeakPolarHBondContact O-CB 3.4Å; V58-C62 PolarHBondContact O-N 3.07Å; V58-L111 HydrophobicContact CB-CD2 4.42Å; V58-L111 HydrophobicContact CG1-CD2 3.95Å; V58-L111 HydrophobicContact CG2-CD2 3.75Å; V58-S125 WeakPolarHBondContact CG1-OG 3.24Å; V58-C129 HydrophobicContact CG1-CB 3.56Å |
| 59 | D | 83.9 | Confident | 81.5 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.3 | -77.9 | -26.3 | 0 | 0 | 0 | 112.3 | I55 C56 C62 K63 | I55-D59 PolarHBondContact O-N 3.48Å; C56-D59 PolarHBondContact O-N 3.26Å; D59-C62 WeakPolarHBondContact O-CB 3.22Å; D59-C62 PolarHBondContact O-N 3.15Å; D59-K63 WeakPolarHBondContact O-CG 3.46Å; D59-K63 PolarHBondContact O-N 2.95Å |
| 60 | A | 82.1 | Confident | 81.8 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.4 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F22 V26 V42 C56 A57 V58 C62 K63 L64 | F22-A60 HydrophobicContact CB-CB 4.08Å; F22-A60 HydrophobicContact CD1-CB 4.44Å; V26-A60 HydrophobicContact CG2-CB 3.8Å; V26-A60 WeakPolarHBondContact CG2-O 3.48Å; V42-A60 HydrophobicContact CG1-CB 4.15Å; C56-A60 WeakPolarHBondContact O-CB 3.26Å; C56-A60 PolarHBondContact O-N 3.46Å; A57-A60 WeakPolarHBondContact O-CB 3.48Å; A57-A60 PolarHBondContact O-N 3.46Å; V58-A60 VanDerWaalsContact C-N 3.34Å; V58-A60 PolarHBondContact O-N 3.05Å; A60-C62 VanDerWaalsContact C-N 3.34Å; A60-K63 PolarHBondContact O-N 3.31Å; A60-L64 VanDerWaalsContact O-CB 3.31Å; A60-L64 WeakPolarHBondContact O-CB 3.41Å; A60-L64 PolarHBondContact O-N 3.13Å |
| 61 | C | 82.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 173.6 | -78.5 | 0 | 0 | 0 | 0 | 111.9 | V42 A57 V58 L64 F65 | V42-C61 WeakPolarHBondContact CG1-SG 3.46Å; A57-C61 WeakPolarHBondContact O-CB 3.32Å; A57-C61 PolarHBondContact O-N 3.04Å; A57-C61 PolarHBondContact O-SG 3.15Å; V58-C61 PolarHBondContact O-N 3.25Å; C61-L64 PolarHBondContact O-N 3.3Å; C61-F65 HydrophobicContact CB-CD2 4.31Å; C61-F65 WeakPolarHBondContact O-CD2 3.49Å; C61-F65 PolarHBondContact O-N 3.41Å |
| 62 | C | 83.7 | Confident | 81.1 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.081 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -53.8 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | V58 D59 A60 L64 C66 C129 K132 | V58-C62 WeakPolarHBondContact O-CB 3.4Å; V58-C62 PolarHBondContact O-N 3.07Å; D59-C62 WeakPolarHBondContact O-CB 3.22Å; D59-C62 PolarHBondContact O-N 3.15Å; A60-C62 VanDerWaalsContact C-N 3.34Å; C62-L64 PolarHBondContact O-N 3.41Å; C62-C66 WeakPolarHBondContact O-CB 3.43Å; C62-C66 PolarHBondContact O-N 3.15Å; C62-C66 PolarHBondContact O-SG 3.04Å; C62-C129 VanDerWaalsContact CB-SG 3.57Å; C62-K132 WeakPolarHBondContact SG-CD 3.4Å |
| 63 | K | 83.8 | Confident | 80.5 | Confident | 100 Ų | 100 | 38.5 Ų | 38.5 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 177.8 | -72.4 | 173.8 | -179.2 | 170.6 | 0 | 111.7 | E23 V26 D59 A60 T67 | E23-K63 IonicContact OE1-NZ 3.96Å; E23-K63 PolarHBondContact OE1-NZ 3.4Å; V26-K63 HydrophobicContact CG1-CB 4.3Å; D59-K63 WeakPolarHBondContact O-CG 3.46Å; D59-K63 PolarHBondContact O-N 2.95Å; A60-K63 PolarHBondContact O-N 3.31Å; K63-T67 WeakPolarHBondContact O-CB 3.27Å; K63-T67 VanDerWaalsContact O-CG2 3.23Å; K63-T67 WeakPolarHBondContact O-CG2 3.37Å; K63-T67 PolarHBondContact O-N 3.24Å; K63-T67 PolarHBondContact O-OG1 3.46Å |
| 64 | L | 82.5 | Confident | 80 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -56.2 | -177.8 | 179.9 | 67.2 | 0 | 0 | 0 | 112 | V26 I29 L30 V39 A60 C61 C62 T67 L68 | V26-L64 HydrophobicContact CG1-CB 4.03Å; V26-L64 HydrophobicContact CG1-CD1 4.24Å; V26-L64 HydrophobicContact CG2-CB 4.32Å; I29-L64 HydrophobicContact CB-CD1 3.97Å; I29-L64 HydrophobicContact CD1-CD1 4.46Å; I29-L64 HydrophobicContact CD1-CD2 4.23Å; I29-L64 HydrophobicContact CG2-CD1 3.64Å; L30-L64 HydrophobicContact CD2-CD1 4.07Å; L30-L64 HydrophobicContact CG-CD1 4.12Å; V39-L64 HydrophobicContact CG2-CD2 4.02Å; A60-L64 VanDerWaalsContact O-CB 3.31Å; A60-L64 WeakPolarHBondContact O-CB 3.41Å; A60-L64 PolarHBondContact O-N 3.13Å; C61-L64 PolarHBondContact O-N 3.3Å; C62-L64 PolarHBondContact O-N 3.41Å; L64-T67 PolarHBondContact O-N 3.19Å; L64-T67 PolarHBondContact O-OG1 3.29Å; L64-L68 HydrophobicContact CD1-CD1 4.07Å; L64-L68 HydrophobicContact CG-CD1 3.93Å; L64-L68 VanDerWaalsContact O-CG 3.25Å; L64-L68 WeakPolarHBondContact O-CG 3.5Å; L64-L68 PolarHBondContact O-N 2.95Å |
| 65 | F | 81.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -76.1 | -32.5 | -173.3 | -70.7 | -64.4 | 0 | 0 | 0 | 112.8 | V39 C61 T67 L68 L69 M100 R103 Y104 C107 F133 | V39-F65 HydrophobicContact CG1-CZ 4.25Å; C61-F65 HydrophobicContact CB-CD2 4.31Å; C61-F65 WeakPolarHBondContact O-CD2 3.49Å; C61-F65 PolarHBondContact O-N 3.41Å; F65-T67 VanDerWaalsContact C-N 3.31Å; F65-T67 PolarHBondContact O-N 2.97Å; F65-L68 HydrophobicContact CD1-CD1 3.9Å; F65-L68 HydrophobicContact CE1-CD1 4.29Å; F65-L68 PolarHBondContact O-N 3.22Å; F65-L69 WeakPolarHBondContact O-CB 3.21Å; F65-L69 VanDerWaalsContact O-CG 3.27Å; F65-L69 WeakPolarHBondContact O-CG 3.48Å; F65-L69 PolarHBondContact O-N 3.3Å; F65-M100 HydrophobicContact CE1-CE 4.48Å; F65-R103 HydrophobicContact CZ-CB 4.34Å; F65-Y104 HydrophobicContact CB-CD2 3.77Å; F65-Y104 HydrophobicContact CB-CE2 4.04Å; F65-Y104 AromaticContact CD1-CD2 3.67Å; F65-Y104 HydrophobicContact CD1-CD2 3.67Å; F65-Y104 HydrophobicContact CD1-CG 4.31Å; F65-Y104 HydrophobicContact CD2-CD2 4.28Å; F65-Y104 HydrophobicContact CE1-CD2 4.29Å; F65-Y104 AromaticContact CG-CD2 3.66Å; F65-Y104 HydrophobicContact CG-CD2 3.66Å; F65-Y104 HydrophobicContact CG-CE2 4.38Å; F65-C107 HydrophobicContact CD2-CB 4.3Å; F65-C107 HydrophobicContact CE2-CB 3.68Å; F65-C107 HydrophobicContact CZ-CB 4.33Å; F65-F133 HydrophobicContact CB-CD1 4.5Å; F65-F133 HydrophobicContact CB-CE1 3.63Å; F65-F133 HydrophobicContact CB-CZ 3.76Å; F65-F133 HydrophobicContact CD2-CZ 4Å; F65-F133 HydrophobicContact CG-CZ 4.32Å |
| 66 | C | 81.3 | Confident | 78.3 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 8% | 0.081 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 171.5 | -67 | 0 | 0 | 0 | 0 | 111.6 | C62 K70 E136 | C62-C66 WeakPolarHBondContact O-CB 3.43Å; C62-C66 PolarHBondContact O-N 3.15Å; C62-C66 PolarHBondContact O-SG 3.04Å; C66-K70 WeakPolarHBondContact O-CG 3.19Å; C66-K70 PolarHBondContact O-N 3.38Å; C66-K70 VanDerWaalsContact O-N 3.1Å; C66-E136 HydrophobicContact CB-CG 4.04Å |
| 67 | T | 80.1 | Confident | 77.4 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -72 | -35 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | L30 K63 L64 F65 K70 R71 | L30-T67 HydrophobicContact CD1-CG2 4.41Å; L30-T67 WeakPolarHBondContact CD1-OG1 3.48Å; L30-T67 VanDerWaalsContact CD2-OG1 3.24Å; L30-T67 WeakPolarHBondContact CD2-OG1 3.23Å; K63-T67 WeakPolarHBondContact O-CB 3.27Å; K63-T67 VanDerWaalsContact O-CG2 3.23Å; K63-T67 WeakPolarHBondContact O-CG2 3.37Å; K63-T67 PolarHBondContact O-N 3.24Å; K63-T67 PolarHBondContact O-OG1 3.46Å; L64-T67 PolarHBondContact O-N 3.19Å; L64-T67 PolarHBondContact O-OG1 3.29Å; F65-T67 VanDerWaalsContact C-N 3.31Å; F65-T67 PolarHBondContact O-N 2.97Å; T67-K70 PolarHBondContact O-N 3.49Å; T67-R71 WeakPolarHBondContact O-CG 3.29Å; T67-R71 PolarHBondContact O-N 3.44Å; T67-R71 VanDerWaalsContact O-N 3.09Å |
| 68 | L | 78 | Confident | 76.4 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 173.4 | -70.5 | 167 | 0 | 0 | 0 | 112.5 | L30 L64 F65 R71 K72 D73 L74 M100 | L30-L68 HydrophobicContact CD2-CD2 4.3Å; L30-L68 HydrophobicContact CD2-CG 4.32Å; L64-L68 HydrophobicContact CD1-CD1 4.07Å; L64-L68 HydrophobicContact CG-CD1 3.93Å; L64-L68 VanDerWaalsContact O-CG 3.25Å; L64-L68 WeakPolarHBondContact O-CG 3.5Å; L64-L68 PolarHBondContact O-N 2.95Å; F65-L68 HydrophobicContact CD1-CD1 3.9Å; F65-L68 HydrophobicContact CE1-CD1 4.29Å; F65-L68 PolarHBondContact O-N 3.22Å; L68-R71 PolarHBondContact O-N 3.12Å; L68-K72 PolarHBondContact O-N 3.08Å; L68-D73 HydrophobicContact CD2-CB 3.86Å; L68-D73 PolarHBondContact O-N 2.76Å; L68-D73 VanDerWaalsContact O-N 3.11Å; L68-L74 HydrophobicContact CB-CD1 4.46Å; L68-L74 HydrophobicContact CB-CG 4.34Å; L68-M100 HydrophobicContact CD1-CE 3.28Å; L68-M100 HydrophobicContact CD2-CE 4.45Å |
| 69 | L | 77.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 173.1 | -75.6 | 164.7 | 0 | 0 | 0 | 110.9 | F65 R71 K72 L74 Y104 E136 Q137 L142 | F65-L69 WeakPolarHBondContact O-CB 3.21Å; F65-L69 VanDerWaalsContact O-CG 3.27Å; F65-L69 WeakPolarHBondContact O-CG 3.48Å; F65-L69 PolarHBondContact O-N 3.3Å; L69-R71 VanDerWaalsContact C-N 3.28Å; L69-R71 PolarHBondContact O-N 3.23Å; L69-K72 PolarHBondContact O-N 3.31Å; L69-K72 VanDerWaalsContact O-N 3.07Å; L69-L74 HydrophobicContact CD2-CD1 3.43Å; L69-L74 VanDerWaalsContact CD2-CD1 3.43Å; L69-L74 HydrophobicContact CG-CD1 3.65Å; L69-Y104 HydrophobicContact CD1-CE2 4.31Å; L69-E136 HydrophobicContact CB-CB 4.18Å; L69-E136 HydrophobicContact CD1-CB 3.72Å; L69-Q137 HydrophobicContact CD1-CG 4.46Å; L69-L142 HydrophobicContact CD2-CD1 3.79Å; L69-L142 HydrophobicContact CD2-CD2 3.83Å; L69-L142 HydrophobicContact CD2-CG 4.02Å |
| 70 | K | 79.1 | Confident | 74.4 | Confident | 113 Ų | 113 | 47.2 Ų | 47.2 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59 | -36.2 | 175.9 | -73.3 | 175.1 | -171.8 | 179.7 | 0 | 113.8 | C66 T67 K72 E136 | C66-K70 WeakPolarHBondContact O-CG 3.19Å; C66-K70 PolarHBondContact O-N 3.38Å; C66-K70 VanDerWaalsContact O-N 3.1Å; T67-K70 PolarHBondContact O-N 3.49Å; K70-K72 VanDerWaalsContact C-N 3.3Å; K70-E136 WeakPolarHBondContact CE-OE1 3.24Å; K70-E136 WeakPolarHBondContact CE-OE2 3.36Å; K70-E136 IonicContact NZ-OE1 3.35Å; K70-E136 PolarHBondContact NZ-OE1 3.34Å; K70-E136 IonicContact NZ-OE2 3.2Å |
| 71 | R | 78.6 | Confident | 73.4 | Confident | 137 Ų | 137 | 48.6 Ų | 48.6 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -80.7 | -8.6 | 179 | -70.6 | 178.7 | -178.5 | -175.8 | 1.8 | 113.7 | L30 T67 L68 L69 D73 | L30-R71 PolarHBondContact O-NH1 3.45Å; T67-R71 WeakPolarHBondContact O-CG 3.29Å; T67-R71 PolarHBondContact O-N 3.44Å; T67-R71 VanDerWaalsContact O-N 3.09Å; L68-R71 PolarHBondContact O-N 3.12Å; L69-R71 VanDerWaalsContact C-N 3.28Å; L69-R71 PolarHBondContact O-N 3.23Å; R71-D73 HydrophobicContact CB-CB 4.28Å; R71-D73 VanDerWaalsContact CB-OD2 3.28Å; R71-D73 WeakPolarHBondContact CB-OD2 3.45Å; R71-D73 WeakPolarHBondContact CD-OD2 3.31Å; R71-D73 PolarHBondContact O-N 2.75Å |
| 72 | K | 70.1 | Confident | 72.4 | Confident | 132 Ų | 132 | 52.3 Ų | 52.3 | 57% | 0.574 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 34.4 | -170.3 | -55.3 | -177.8 | 177.8 | -174.9 | 0 | 112.4 | L68 L69 K70 L74 | L68-K72 PolarHBondContact O-N 3.08Å; L69-K72 PolarHBondContact O-N 3.31Å; L69-K72 VanDerWaalsContact O-N 3.07Å; K70-K72 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 2.89Å |
| 73 | D | 68 | Low | 70.9 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 15% | 0.15 | 28% | 0.283 | C | S | . | . | trans | -86.1 | 10.3 | 178.5 | -79.7 | -32.8 | 0 | 0 | 0 | 112.5 | R33 L68 R71 K97 | R33-D73 IonicContact NH2-OD1 3.23Å; L68-D73 HydrophobicContact CD2-CB 3.86Å; L68-D73 PolarHBondContact O-N 2.76Å; L68-D73 VanDerWaalsContact O-N 3.11Å; R71-D73 HydrophobicContact CB-CB 4.28Å; R71-D73 VanDerWaalsContact CB-OD2 3.28Å; R71-D73 WeakPolarHBondContact CB-OD2 3.45Å; R71-D73 WeakPolarHBondContact CD-OD2 3.31Å; R71-D73 PolarHBondContact O-N 2.75Å; D73-K97 WeakPolarHBondContact O-CG 3.19Å | ||
| 74 | L | 72.1 | Confident | 69.6 | Low | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -107.6 | 149.7 | 175.2 | -67.9 | 169.2 | 0 | 0 | 0 | 109.9 | L68 L69 K72 I76 M100 L142 | L68-L74 HydrophobicContact CB-CD1 4.46Å; L68-L74 HydrophobicContact CB-CG 4.34Å; L69-L74 HydrophobicContact CD2-CD1 3.43Å; L69-L74 VanDerWaalsContact CD2-CD1 3.43Å; L69-L74 HydrophobicContact CG-CD1 3.65Å; K72-L74 PolarHBondContact O-N 2.89Å; L74-I76 PolarHBondContact O-N 3.4Å; L74-M100 HydrophobicContact CD2-CB 3.71Å; L74-L142 HydrophobicContact CB-CD2 3.67Å; L74-L142 HydrophobicContact CD1-CD2 4.05Å |
| 75 | F | 63.1 | Low | 68.3 | Low | 40 Ų | 40 | 59.8 Ų | 59.8 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | trans | -66.3 | 129.8 | 178.8 | -174.7 | -100.4 | 0 | 0 | 0 | 110.5 | K97 I98 R101 | F75-K97 HydrophobicContact CB-CB 4.01Å; F75-K97 PolarHBondContact N-O 3.17Å; F75-I98 HydrophobicContact CB-CG1 3.97Å; F75-I98 HydrophobicContact CD1-CG1 4.2Å; F75-I98 HydrophobicContact CD2-CD1 4.13Å; F75-I98 HydrophobicContact CD2-CG1 3.5Å; F75-I98 VanDerWaalsContact CD2-CG1 3.5Å; F75-I98 HydrophobicContact CE2-CD1 4.14Å; F75-I98 HydrophobicContact CE2-CG1 3.98Å; F75-I98 HydrophobicContact CG-CG1 3.62Å; F75-R101 HydrophobicContact CB-CB 4.25Å | ||
| 76 | I | 67 | Low | 67 | Low | 54 Ų | 54 | 65.6 Ų | 65.6 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | trans | -101 | 130.1 | 176.3 | -57.7 | 173.3 | 0 | 0 | 0 | 106.9 | L74 L142 D144 | L74-I76 PolarHBondContact O-N 3.4Å; I76-L142 WeakPolarHBondContact CA-O 3.13Å; I76-D144 HydrophobicContact CG2-CB 4.17Å; I76-D144 WeakPolarHBondContact CG2-OD1 3.35Å | ||
| 77 | G | 63.3 | Low | 65.6 | Low | 19 Ų | 19 | 73.6 Ų | 73.6 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 113.4 | -175.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L79 L142 | G77-L79 PolarHBondContact O-N 3.28Å; G77-L142 PolarHBondContact N-O 3.01Å |
| 78 | K | 60.8 | Low | 64.4 | Low | 202 Ų | 202 | 72.6 Ų | 72.6 | 88% | 0.878 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -66.1 | 120.1 | -177.4 | -71.1 | -174.8 | -179.2 | 177.8 | 0 | 110.5 | P80 | K78-P80 VanDerWaalsContact O-CD 3.23Å; K78-P80 WeakPolarHBondContact O-CD 3.49Å |
| 79 | L | 63.2 | Low | 63.1 | Low | 54 Ų | 54 | 82.2 Ų | 82.2 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | trans | -72.6 | 113.8 | -170.9 | -145.1 | 167.1 | 0 | 0 | 0 | 110.4 | G77 I98 R101 H102 N105 | G77-L79 PolarHBondContact O-N 3.28Å; L79-I98 HydrophobicContact CD2-CG2 4.45Å; L79-R101 HydrophobicContact CD1-CB 4.23Å; L79-R101 HydrophobicContact CD1-CG 3.28Å; L79-R101 HydrophobicContact CG-CG 3.91Å; L79-H102 WeakPolarHBondContact CD2-CE1 3.5Å; L79-H102 WeakPolarHBondContact CD2-NE2 3.3Å; L79-N105 VanDerWaalsContact CD1-ND2 3.31Å; L79-N105 WeakPolarHBondContact CD1-ND2 3.35Å | ||
| 80 | P | 62.3 | Low | 62.3 | Low | 27 Ų | 27 | 85.5 Ų | 85.5 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | trans | -71.2 | 150.5 | 174.9 | 26.6 | -30.2 | 0 | 0 | 0 | 111 | K78 A85 I98 H102 | K78-P80 VanDerWaalsContact O-CD 3.23Å; K78-P80 WeakPolarHBondContact O-CD 3.49Å; P80-A85 HydrophobicContact CG-CB 4.18Å; P80-I98 HydrophobicContact CG-CD1 3.93Å; P80-I98 HydrophobicContact CG-CG1 4.42Å; P80-I98 HydrophobicContact CG-CG2 4.33Å; P80-H102 PolarHBondContact O-NE2 3.02Å; P80-H102 VanDerWaalsContact O-NE2 3.11Å | ||
| 81 | G | 62.9 | Low | 61.8 | Low | 35 Ų | 35 | 82.3 Ų | 82.3 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | trans | -57.6 | 145 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D83 E84 A85 | G81-D83 PolarHBondContact O-N 2.91Å; G81-D83 VanDerWaalsContact O-N 3.1Å; G81-E84 PolarHBondContact O-N 2.66Å; G81-A85 PolarHBondContact O-N 2.99Å | ||
| 82 | E | 60.3 | Low | 61.3 | Low | 79 Ų | 79 | 81.4 Ų | 81.4 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -51.5 | -39.3 | -177.2 | -74.2 | -168.4 | 150 | 0 | 0 | 112.2 | E84 I86 H102 R103 | E82-E84 PolarHBondContact O-N 3.15Å; E82-I86 VanDerWaalsContact O-CD1 3.31Å; E82-I86 WeakPolarHBondContact O-CD1 3.46Å; E82-I86 VanDerWaalsContact O-CG1 3.23Å; E82-I86 WeakPolarHBondContact O-CG1 3.24Å; E82-I86 PolarHBondContact O-N 3.18Å; E82-H102 HydrophobicContact CG-CB 4.3Å; E82-H102 WeakPolarHBondContact CG-CD2 3.4Å; E82-H102 VanDerWaalsContact CG-NE2 3.33Å; E82-H102 WeakPolarHBondContact CG-NE2 3.42Å; E82-H102 VanDerWaalsContact OE1-CB 3.3Å; E82-H102 WeakPolarHBondContact OE1-CB 3.38Å; E82-H102 IonicContact OE1-CD2 3.75Å; E82-H102 IonicContact OE1-CG 3.02Å; E82-H102 IonicContact OE1-ND1 3.49Å; E82-R103 IonicContact OE1-CZ 3.74Å; E82-R103 IonicContact OE1-NH2 2.69Å; E82-R103 PolarHBondContact OE1-NH2 3.48Å; E82-R103 IonicContact OE2-NH2 3.69Å |
| 83 | D | 53.8 | Low | 61.2 | Low | 123 Ų | 123 | 77.4 Ų | 77.4 | 66% | 0.658 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.6 | -25.2 | 179 | -70.7 | -34.6 | 0 | 0 | 0 | 114 | G81 K87 | G81-D83 PolarHBondContact O-N 2.91Å; G81-D83 VanDerWaalsContact O-N 3.1Å; D83-K87 WeakPolarHBondContact O-CD 3.21Å; D83-K87 VanDerWaalsContact O-CG 3.31Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å |
| 84 | E | 56.5 | Low | 61.4 | Low | 138 Ų | 138 | 79.8 Ų | 79.8 | 65% | 0.645 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -85.9 | -38 | 178.6 | -68.7 | 179.6 | 163.8 | 0 | 0 | 111.3 | G81 E82 I86 K87 G88 | G81-E84 PolarHBondContact O-N 2.66Å; E82-E84 PolarHBondContact O-N 3.15Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 3.29Å; E84-K87 PolarHBondContact O-N 3.19Å; E84-G88 PolarHBondContact O-N 2.91Å |
| 85 | A | 54.4 | Low | 61.5 | Low | 8 Ų | 8 | 83.4 Ų | 83.4 | 7% | 0.066 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.3 | -32.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P80 G81 K95 I98 | P80-A85 HydrophobicContact CG-CB 4.18Å; G81-A85 PolarHBondContact O-N 2.99Å; A85-K95 WeakPolarHBondContact O-CE 3.4Å; A85-I98 HydrophobicContact CB-CB 4.45Å; A85-I98 HydrophobicContact CB-CD1 4.08Å; A85-I98 HydrophobicContact CB-CG2 3.65Å |
| 86 | I | 54.9 | Low | 62.2 | Low | 122 Ų | 122 | 83 Ų | 83 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -71.5 | -35.9 | 175.4 | -65.3 | 165.1 | 0 | 0 | 0 | 110.7 | E82 E84 K95 | E82-I86 VanDerWaalsContact O-CD1 3.31Å; E82-I86 WeakPolarHBondContact O-CD1 3.46Å; E82-I86 VanDerWaalsContact O-CG1 3.23Å; E82-I86 WeakPolarHBondContact O-CG1 3.24Å; E82-I86 PolarHBondContact O-N 3.18Å; E84-I86 VanDerWaalsContact C-N 3.31Å; E84-I86 PolarHBondContact O-N 3.29Å; I86-K95 PolarHBondContact O-NZ 3.22Å |
| 87 | K | 50.5 | Low | 62.7 | Low | 181 Ų | 181 | 82.7 Ų | 82.7 | 79% | 0.787 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -87.6 | -23 | -176.7 | -69.3 | 177 | -173.8 | 170.9 | 0 | 114.5 | D83 E84 | D83-K87 WeakPolarHBondContact O-CD 3.21Å; D83-K87 VanDerWaalsContact O-CG 3.31Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; E84-K87 PolarHBondContact O-N 3.19Å |
| 88 | G | 55.7 | Low | 63.4 | Low | 23 Ų | 23 | 81.9 Ų | 81.9 | 24% | 0.237 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -70.6 | 156.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E84 H90 K95 | E84-G88 PolarHBondContact O-N 2.91Å; G88-H90 PolarHBondContact O-N 3.45Å; G88-K95 WeakPolarHBondContact O-CE 3.42Å; G88-K95 PolarHBondContact O-NZ 3.42Å |
| 89 | E | 51.8 | Low | 64.3 | Low | 203 Ų | 203 | 75 Ų | 75 | 95% | 0.949 | 39% | 0.388 | S | S | * | . | trans | -72.5 | 61.4 | 168.8 | -66.8 | -170.2 | 166.5 | 0 | 0 | 110.7 | ||||
| 90 | H | 60.3 | Low | 65.1 | Low | 73 Ų | 73 | 72.5 Ų | 72.5 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | trans | -102.8 | 143.4 | 175.9 | -62.8 | -6.8 | 0 | 0 | 0 | 109.6 | G88 E94 K95 | G88-H90 PolarHBondContact O-N 3.45Å; H90-E94 HydrophobicContact CB-CB 4.1Å; H90-K95 HydrophobicContact CB-CG 3.98Å; H90-K95 VanDerWaalsContact O-CE 3.28Å; H90-K95 WeakPolarHBondContact O-CE 3.36Å | ||
| 91 | S | 68.8 | Low | 65.9 | Low | 47 Ų | 47 | 72.7 Ų | 72.7 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | trans | -60.9 | 154.6 | 176.2 | 66.6 | 0 | 0 | 0 | 0 | 110.7 | D93 E94 K95 | S91-D93 PolarHBondContact O-N 3.28Å; S91-D93 VanDerWaalsContact O-N 3.11Å; S91-E94 WeakPolarHBondContact CB-OE2 3.33Å; S91-E94 PolarHBondContact N-OE2 3.4Å; S91-E94 PolarHBondContact O-N 3.07Å; S91-E94 VanDerWaalsContact O-N 3.09Å; S91-E94 VanDerWaalsContact OG-CG 3.27Å; S91-E94 WeakPolarHBondContact OG-CG 3.37Å; S91-E94 PolarHBondContact OG-N 3.2Å; S91-E94 PolarHBondContact OG-OE2 3.35Å; S91-K95 PolarHBondContact O-N 2.98Å | ||
| 92 | P | 67.1 | Low | 66.8 | Low | 117 Ų | 117 | 72.5 Ų | 72.5 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.9 | -29.7 | 177 | -24.3 | 33.3 | 0 | 0 | 0 | 113.4 | Y96 | P92-Y96 PolarHBondContact O-N 3.14Å |
| 93 | D | 69 | Low | 67.9 | Low | 48 Ų | 48 | 70.1 Ų | 70.1 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.2 | -43.4 | 176.6 | -165.9 | 60.7 | 0 | 0 | 0 | 111.8 | R33 S91 Y96 K97 | R33-D93 IonicContact CZ-OD1 3.05Å; R33-D93 VanDerWaalsContact CZ-OD1 3.28Å; R33-D93 IonicContact NH1-OD1 3.94Å; R33-D93 PolarHBondContact NH1-OD1 2.91Å; R33-D93 IonicContact NH2-OD1 3.37Å; R33-D93 PolarHBondContact NH2-OD1 2.93Å; S91-D93 PolarHBondContact O-N 3.28Å; S91-D93 VanDerWaalsContact O-N 3.11Å; D93-Y96 PolarHBondContact O-N 3.46Å; D93-K97 WeakPolarHBondContact O-CG 3.25Å; D93-K97 PolarHBondContact O-N 2.99Å; D93-K97 WeakPolarHBondContact OD2-CE 3.45Å; D93-K97 IonicContact OD2-NZ 3.6Å; D93-K97 PolarHBondContact OD2-NZ 3.43Å |
| 94 | E | 71.9 | Confident | 69.4 | Low | 79 Ų | 79 | 64.3 Ų | 64.3 | 37% | 0.369 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 175.1 | -73.7 | 160.3 | 163.9 | 0 | 0 | 112 | H90 S91 Y96 K97 I98 | H90-E94 HydrophobicContact CB-CB 4.1Å; S91-E94 WeakPolarHBondContact CB-OE2 3.33Å; S91-E94 PolarHBondContact N-OE2 3.4Å; S91-E94 PolarHBondContact O-N 3.07Å; S91-E94 VanDerWaalsContact O-N 3.09Å; S91-E94 VanDerWaalsContact OG-CG 3.27Å; S91-E94 WeakPolarHBondContact OG-CG 3.37Å; S91-E94 PolarHBondContact OG-N 3.2Å; S91-E94 PolarHBondContact OG-OE2 3.35Å; E94-Y96 VanDerWaalsContact C-N 3.29Å; E94-Y96 PolarHBondContact O-N 2.97Å; E94-K97 PolarHBondContact O-N 3.18Å; E94-I98 VanDerWaalsContact O-CG1 3.26Å; E94-I98 WeakPolarHBondContact O-CG1 3.41Å; E94-I98 PolarHBondContact O-N 3.48Å |
| 95 | K | 74.6 | Confident | 70.7 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 175.8 | -69.7 | -172.7 | 179 | -170.7 | 0 | 111.8 | A85 I86 G88 H90 S91 F99 | A85-K95 WeakPolarHBondContact O-CE 3.4Å; I86-K95 PolarHBondContact O-NZ 3.22Å; G88-K95 WeakPolarHBondContact O-CE 3.42Å; G88-K95 PolarHBondContact O-NZ 3.42Å; H90-K95 HydrophobicContact CB-CG 3.98Å; H90-K95 VanDerWaalsContact O-CE 3.28Å; H90-K95 WeakPolarHBondContact O-CE 3.36Å; S91-K95 PolarHBondContact O-N 2.98Å; K95-F99 WeakPolarHBondContact O-CB 3.31Å; K95-F99 PolarHBondContact O-N 3Å |
| 96 | Y | 77.6 | Confident | 72.1 | Confident | 30 Ų | 30 | 62 Ų | 62 | 12% | 0.118 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 173.3 | 176.4 | -88.6 | 0 | 0 | 0 | 111.9 | R33 A36 P92 D93 E94 I98 F99 M100 | R33-Y96 HydrophobicContact CB-CD2 4.37Å; R33-Y96 HydrophobicContact CB-CE2 3.91Å; R33-Y96 HydrophobicContact CG-CE2 4.1Å; A36-Y96 HydrophobicContact CB-CD2 4.32Å; A36-Y96 HydrophobicContact CB-CE2 3.61Å; P92-Y96 PolarHBondContact O-N 3.14Å; D93-Y96 PolarHBondContact O-N 3.46Å; E94-Y96 VanDerWaalsContact C-N 3.29Å; E94-Y96 PolarHBondContact O-N 2.97Å; Y96-I98 PolarHBondContact O-N 3.47Å; Y96-F99 WeakPolarHBondContact O-CB 3.49Å; Y96-F99 PolarHBondContact O-N 3.33Å; Y96-M100 HydrophobicContact CD1-CG 4.14Å; Y96-M100 HydrophobicContact CE1-CG 3.69Å; Y96-M100 HydrophobicContact CE2-CG 4.26Å; Y96-M100 WeakPolarHBondContact O-CG 3.36Å; Y96-M100 PolarHBondContact O-N 3.19Å |
| 97 | K | 77.1 | Confident | 73.6 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 179.2 | -75.2 | 175.1 | 172 | 159.4 | 0 | 112.5 | D73 F75 D93 E94 R101 | D73-K97 WeakPolarHBondContact O-CG 3.19Å; F75-K97 HydrophobicContact CB-CB 4.01Å; F75-K97 PolarHBondContact N-O 3.17Å; D93-K97 WeakPolarHBondContact O-CG 3.25Å; D93-K97 PolarHBondContact O-N 2.99Å; D93-K97 WeakPolarHBondContact OD2-CE 3.45Å; D93-K97 IonicContact OD2-NZ 3.6Å; D93-K97 PolarHBondContact OD2-NZ 3.43Å; E94-K97 PolarHBondContact O-N 3.18Å; K97-R101 WeakPolarHBondContact O-CB 3.29Å; K97-R101 PolarHBondContact O-N 3.47Å |
| 98 | I | 77.9 | Confident | 75.3 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 176.5 | -66 | 162.4 | 0 | 0 | 0 | 110.3 | F75 L79 P80 A85 E94 Y96 M100 R101 H102 | F75-I98 HydrophobicContact CB-CG1 3.97Å; F75-I98 HydrophobicContact CD1-CG1 4.2Å; F75-I98 HydrophobicContact CD2-CD1 4.13Å; F75-I98 HydrophobicContact CD2-CG1 3.5Å; F75-I98 VanDerWaalsContact CD2-CG1 3.5Å; F75-I98 HydrophobicContact CE2-CD1 4.14Å; F75-I98 HydrophobicContact CE2-CG1 3.98Å; F75-I98 HydrophobicContact CG-CG1 3.62Å; L79-I98 HydrophobicContact CD2-CG2 4.45Å; P80-I98 HydrophobicContact CG-CD1 3.93Å; P80-I98 HydrophobicContact CG-CG1 4.42Å; P80-I98 HydrophobicContact CG-CG2 4.33Å; A85-I98 HydrophobicContact CB-CB 4.45Å; A85-I98 HydrophobicContact CB-CD1 4.08Å; A85-I98 HydrophobicContact CB-CG2 3.65Å; E94-I98 VanDerWaalsContact O-CG1 3.26Å; E94-I98 WeakPolarHBondContact O-CG1 3.41Å; E94-I98 PolarHBondContact O-N 3.48Å; Y96-I98 PolarHBondContact O-N 3.47Å; I98-M100 PolarHBondContact O-N 3.42Å; I98-R101 WeakPolarHBondContact O-CB 3.44Å; I98-R101 PolarHBondContact O-N 3.03Å; I98-H102 PolarHBondContact O-CD2 2.84Å; I98-H102 PolarHBondContact O-N 2.82Å |
| 99 | F | 80.3 | Confident | 76.9 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 25% | 0.254 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 176.1 | 173.9 | -98 | 0 | 0 | 0 | 111.8 | A36 F40 K95 Y96 R101 H102 R103 | A36-F99 HydrophobicContact CB-CE1 4.32Å; F40-F99 HydrophobicContact CE2-CE2 4.18Å; F40-F99 AromaticContact CE2-CZ 3.73Å; F40-F99 HydrophobicContact CE2-CZ 3.73Å; F40-F99 HydrophobicContact CZ-CE2 4.32Å; F40-F99 HydrophobicContact CZ-CZ 4.24Å; K95-F99 WeakPolarHBondContact O-CB 3.31Å; K95-F99 PolarHBondContact O-N 3Å; Y96-F99 WeakPolarHBondContact O-CB 3.49Å; Y96-F99 PolarHBondContact O-N 3.33Å; F99-R101 VanDerWaalsContact C-N 3.28Å; F99-R101 PolarHBondContact O-N 2.87Å; F99-H102 PolarHBondContact O-N 3.25Å; F99-R103 HydrophobicContact CD1-CG 4.41Å; F99-R103 HydrophobicContact CE1-CG 3.96Å; F99-R103 HydrophobicContact CE2-CG 4.33Å; F99-R103 HydrophobicContact CZ-CG 3.92Å; F99-R103 WeakPolarHBondContact O-CG 2.68Å; F99-R103 PolarHBondContact O-N 3.38Å; F99-R103 VanDerWaalsContact O-N 3.08Å |
| 100 | M | 79.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -32 | 178.8 | -67.9 | -59.9 | -72.1 | 0 | 0 | 112.4 | A36 V39 F65 L68 L74 Y96 I98 R103 Y104 | A36-M100 HydrophobicContact CB-SD 4.2Å; V39-M100 HydrophobicContact CG2-CE 4.02Å; V39-M100 HydrophobicContact CG2-SD 4.27Å; F65-M100 HydrophobicContact CE1-CE 4.48Å; L68-M100 HydrophobicContact CD1-CE 3.28Å; L68-M100 HydrophobicContact CD2-CE 4.45Å; L74-M100 HydrophobicContact CD2-CB 3.71Å; Y96-M100 HydrophobicContact CD1-CG 4.14Å; Y96-M100 HydrophobicContact CE1-CG 3.69Å; Y96-M100 HydrophobicContact CE2-CG 4.26Å; Y96-M100 WeakPolarHBondContact O-CG 3.36Å; Y96-M100 PolarHBondContact O-N 3.19Å; I98-M100 PolarHBondContact O-N 3.42Å; M100-R103 PolarHBondContact O-N 3.26Å; M100-Y104 WeakPolarHBondContact O-CB 3.37Å; M100-Y104 PolarHBondContact O-N 3.48Å |
| 101 | R | 80.1 | Confident | 79.7 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 174.3 | -172.2 | 74.4 | 174.9 | 126.9 | 0.9 | 112.4 | F75 L79 K97 I98 F99 Y104 N105 L142 | F75-R101 HydrophobicContact CB-CB 4.25Å; L79-R101 HydrophobicContact CD1-CB 4.23Å; L79-R101 HydrophobicContact CD1-CG 3.28Å; L79-R101 HydrophobicContact CG-CG 3.91Å; K97-R101 WeakPolarHBondContact O-CB 3.29Å; K97-R101 PolarHBondContact O-N 3.47Å; I98-R101 WeakPolarHBondContact O-CB 3.44Å; I98-R101 PolarHBondContact O-N 3.03Å; F99-R101 VanDerWaalsContact C-N 3.28Å; F99-R101 PolarHBondContact O-N 2.87Å; R101-Y104 VanDerWaalsContact NH1-CE1 3.28Å; R101-Y104 WeakPolarHBondContact O-CB 3.47Å; R101-Y104 PolarHBondContact O-N 3.23Å; R101-N105 PolarHBondContact O-N 2.97Å; R101-L142 VanDerWaalsContact NH1-CD1 3.3Å |
| 102 | H | 81.8 | Confident | 80.6 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 172.8 | -80.9 | -67.6 | 0 | 0 | 0 | 111.9 | L79 P80 E82 I98 F99 Y104 N105 N106 | L79-H102 WeakPolarHBondContact CD2-CE1 3.5Å; L79-H102 WeakPolarHBondContact CD2-NE2 3.3Å; P80-H102 PolarHBondContact O-NE2 3.02Å; P80-H102 VanDerWaalsContact O-NE2 3.11Å; E82-H102 HydrophobicContact CG-CB 4.3Å; E82-H102 WeakPolarHBondContact CG-CD2 3.4Å; E82-H102 VanDerWaalsContact CG-NE2 3.33Å; E82-H102 WeakPolarHBondContact CG-NE2 3.42Å; E82-H102 VanDerWaalsContact OE1-CB 3.3Å; E82-H102 WeakPolarHBondContact OE1-CB 3.38Å; E82-H102 IonicContact OE1-CD2 3.75Å; E82-H102 IonicContact OE1-CG 3.02Å; E82-H102 IonicContact OE1-ND1 3.49Å; I98-H102 PolarHBondContact O-CD2 2.84Å; I98-H102 PolarHBondContact O-N 2.82Å; F99-H102 PolarHBondContact O-N 3.25Å; H102-Y104 VanDerWaalsContact C-N 3.3Å; H102-Y104 PolarHBondContact O-N 3.12Å; H102-N105 PolarHBondContact O-N 3.4Å; H102-N106 VanDerWaalsContact O-CG 3.26Å; H102-N106 PolarHBondContact O-N 2.92Å; H102-N106 PolarHBondContact O-ND2 2.96Å |
| 103 | R | 83.7 | Confident | 81.6 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 175.8 | -61.8 | -55.3 | 109.2 | -177.4 | 4.9 | 112.5 | V39 F40 F65 E82 F99 M100 N106 C107 | V39-R103 HydrophobicContact CG1-CB 4.11Å; V39-R103 HydrophobicContact CG1-CG 4.36Å; F40-R103 VanDerWaalsContact CZ-NH1 3.34Å; F65-R103 HydrophobicContact CZ-CB 4.34Å; E82-R103 IonicContact OE1-CZ 3.74Å; E82-R103 IonicContact OE1-NH2 2.69Å; E82-R103 PolarHBondContact OE1-NH2 3.48Å; E82-R103 IonicContact OE2-NH2 3.69Å; F99-R103 HydrophobicContact CD1-CG 4.41Å; F99-R103 HydrophobicContact CE1-CG 3.96Å; F99-R103 HydrophobicContact CE2-CG 4.33Å; F99-R103 HydrophobicContact CZ-CG 3.92Å; F99-R103 WeakPolarHBondContact O-CG 2.68Å; F99-R103 PolarHBondContact O-N 3.38Å; F99-R103 VanDerWaalsContact O-N 3.08Å; M100-R103 PolarHBondContact O-N 3.26Å; R103-N106 VanDerWaalsContact CZ-ND2 3.32Å; R103-N106 PolarHBondContact NH1-ND2 3.42Å; R103-N106 PolarHBondContact O-N 3.3Å; R103-C107 WeakPolarHBondContact O-CB 3.5Å; R103-C107 PolarHBondContact O-N 2.89Å |
| 104 | Y | 83.6 | Confident | 82.4 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 172.6 | 174.7 | -92 | 0 | 0 | 0 | 112 | F65 L69 M100 R101 H102 N106 C107 V108 F133 Q137 | F65-Y104 HydrophobicContact CB-CD2 3.77Å; F65-Y104 HydrophobicContact CB-CE2 4.04Å; F65-Y104 AromaticContact CD1-CD2 3.67Å; F65-Y104 HydrophobicContact CD1-CD2 3.67Å; F65-Y104 HydrophobicContact CD1-CG 4.31Å; F65-Y104 HydrophobicContact CD2-CD2 4.28Å; F65-Y104 HydrophobicContact CE1-CD2 4.29Å; F65-Y104 AromaticContact CG-CD2 3.66Å; F65-Y104 HydrophobicContact CG-CD2 3.66Å; F65-Y104 HydrophobicContact CG-CE2 4.38Å; L69-Y104 HydrophobicContact CD1-CE2 4.31Å; M100-Y104 WeakPolarHBondContact O-CB 3.37Å; M100-Y104 PolarHBondContact O-N 3.48Å; R101-Y104 VanDerWaalsContact NH1-CE1 3.28Å; R101-Y104 WeakPolarHBondContact O-CB 3.47Å; R101-Y104 PolarHBondContact O-N 3.23Å; H102-Y104 VanDerWaalsContact C-N 3.3Å; H102-Y104 PolarHBondContact O-N 3.12Å; Y104-N106 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.1Å; Y104-C107 WeakPolarHBondContact O-CB 3.49Å; Y104-C107 PolarHBondContact O-N 3.34Å; Y104-C107 VanDerWaalsContact O-N 3.14Å; Y104-V108 HydrophobicContact CD1-CG2 4.22Å; Y104-V108 HydrophobicContact CE1-CG2 3.68Å; Y104-V108 HydrophobicContact CE2-CG2 4.31Å; Y104-V108 WeakPolarHBondContact O-CG2 3.13Å; Y104-V108 PolarHBondContact O-N 3.46Å; Y104-F133 HydrophobicContact CE2-CD1 4.25Å; Y104-F133 AromaticContact CE2-CD2 3.82Å; Y104-F133 HydrophobicContact CE2-CD2 3.82Å; Y104-F133 HydrophobicContact CE2-CE1 4.42Å; Y104-F133 HydrophobicContact CE2-CE2 4.01Å; Y104-F133 AromaticContact CE2-CG 3.96Å; Y104-F133 HydrophobicContact CE2-CG 3.96Å; Y104-F133 HydrophobicContact CE2-CZ 4.32Å; Y104-F133 WeakPolarHBondContact OH-CB 3.36Å; Y104-Q137 VanDerWaalsContact CZ-NE2 3.35Å; Y104-Q137 PolarHBondContact OH-NE2 3.09Å |
| 105 | N | 84.8 | Confident | 83 | Confident | 52 Ų | 52 | 34.9 Ų | 34.9 | 28% | 0.278 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.2 | -71.6 | -5.2 | 0 | 0 | 0 | 111.5 | L79 R101 H102 C107 V108 E109 | L79-N105 VanDerWaalsContact CD1-ND2 3.31Å; L79-N105 WeakPolarHBondContact CD1-ND2 3.35Å; R101-N105 PolarHBondContact O-N 2.97Å; H102-N105 PolarHBondContact O-N 3.4Å; N105-C107 VanDerWaalsContact C-N 3.3Å; N105-C107 PolarHBondContact O-N 3.35Å; N105-V108 WeakPolarHBondContact O-CB 3.25Å; N105-V108 PolarHBondContact O-N 3.39Å; N105-E109 WeakPolarHBondContact O-CG 3.36Å; N105-E109 PolarHBondContact O-N 3.31Å |
| 106 | N | 84.3 | Confident | 83.4 | Confident | 45 Ų | 45 | 34.3 Ų | 34.3 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -40.4 | 173.7 | -65.8 | -23.3 | 0 | 0 | 0 | 111.8 | H102 R103 Y104 E109 I110 | H102-N106 VanDerWaalsContact O-CG 3.26Å; H102-N106 PolarHBondContact O-N 2.92Å; H102-N106 PolarHBondContact O-ND2 2.96Å; R103-N106 VanDerWaalsContact CZ-ND2 3.32Å; R103-N106 PolarHBondContact NH1-ND2 3.42Å; R103-N106 PolarHBondContact O-N 3.3Å; Y104-N106 VanDerWaalsContact C-N 3.34Å; Y104-N106 PolarHBondContact O-N 3.1Å; N106-E109 PolarHBondContact O-N 2.57Å; N106-I110 WeakPolarHBondContact O-CD1 3.4Å; N106-I110 VanDerWaalsContact O-CG1 3.26Å; N106-I110 WeakPolarHBondContact O-CG1 3.39Å; N106-I110 PolarHBondContact O-N 3.1Å |
| 107 | C | 86.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 175 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L43 F65 R103 Y104 N105 I110 L111 | L43-C107 HydrophobicContact CD2-CB 3.9Å; F65-C107 HydrophobicContact CD2-CB 4.3Å; F65-C107 HydrophobicContact CE2-CB 3.68Å; F65-C107 HydrophobicContact CZ-CB 4.33Å; R103-C107 WeakPolarHBondContact O-CB 3.5Å; R103-C107 PolarHBondContact O-N 2.89Å; Y104-C107 WeakPolarHBondContact O-CB 3.49Å; Y104-C107 PolarHBondContact O-N 3.34Å; Y104-C107 VanDerWaalsContact O-N 3.14Å; N105-C107 VanDerWaalsContact C-N 3.3Å; N105-C107 PolarHBondContact O-N 3.35Å; C107-I110 PolarHBondContact O-N 3.42Å; C107-L111 WeakPolarHBondContact O-CB 3.34Å; C107-L111 WeakPolarHBondContact O-CG 3.41Å; C107-L111 PolarHBondContact O-N 3.15Å |
| 108 | V | 86.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.097 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.7 | 170 | 0 | 0 | 0 | 0 | 111.2 | Y104 N105 I110 L111 L112 L130 F133 L157 | Y104-V108 HydrophobicContact CD1-CG2 4.22Å; Y104-V108 HydrophobicContact CE1-CG2 3.68Å; Y104-V108 HydrophobicContact CE2-CG2 4.31Å; Y104-V108 WeakPolarHBondContact O-CG2 3.13Å; Y104-V108 PolarHBondContact O-N 3.46Å; N105-V108 WeakPolarHBondContact O-CB 3.25Å; N105-V108 PolarHBondContact O-N 3.39Å; V108-I110 PolarHBondContact O-N 3.35Å; V108-L111 PolarHBondContact O-N 3.38Å; V108-L112 HydrophobicContact CG1-CD1 3.93Å; V108-L112 HydrophobicContact CG1-CG 4.34Å; V108-L112 VanDerWaalsContact O-CG 3.24Å; V108-L112 WeakPolarHBondContact O-CG 3.41Å; V108-L112 PolarHBondContact O-N 2.73Å; V108-L130 HydrophobicContact CG1-CD2 4.14Å; V108-F133 HydrophobicContact CG2-CD2 4.15Å; V108-L157 HydrophobicContact CG1-CD1 3.44Å; V108-L157 VanDerWaalsContact CG1-CD1 3.44Å; V108-L157 HydrophobicContact CG2-CD1 4.27Å |
| 109 | E | 87.8 | Confident | 84.2 | Confident | 115 Ų | 115 | 43.9 Ų | 43.9 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 177.2 | -73.2 | 176.7 | -176.5 | 0 | 0 | 111.6 | N105 N106 L111 L112 E113 | N105-E109 WeakPolarHBondContact O-CG 3.36Å; N105-E109 PolarHBondContact O-N 3.31Å; N106-E109 PolarHBondContact O-N 2.57Å; E109-L111 PolarHBondContact O-N 2.96Å; E109-L112 PolarHBondContact O-N 2.97Å; E109-E113 WeakPolarHBondContact O-CG 3.16Å; E109-E113 PolarHBondContact O-N 2.85Å |
| 110 | I | 85.6 | Confident | 84.4 | Confident | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.087 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.5 | -66.3 | 164.8 | 0 | 0 | 0 | 111.3 | L43 L46 Q47 N106 C107 V108 L112 E113 H114 | L43-I110 HydrophobicContact CD2-CD1 4.3Å; L46-I110 HydrophobicContact CB-CG2 3.81Å; L46-I110 HydrophobicContact CD1-CG2 4.14Å; Q47-I110 HydrophobicContact CG-CD1 4.46Å; N106-I110 WeakPolarHBondContact O-CD1 3.4Å; N106-I110 VanDerWaalsContact O-CG1 3.26Å; N106-I110 WeakPolarHBondContact O-CG1 3.39Å; N106-I110 PolarHBondContact O-N 3.1Å; C107-I110 PolarHBondContact O-N 3.42Å; V108-I110 PolarHBondContact O-N 3.35Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.26Å; I110-E113 WeakPolarHBondContact O-CB 3.17Å; I110-E113 PolarHBondContact O-N 3.47Å; I110-H114 VanDerWaalsContact CG2-NE2 3.32Å; I110-H114 WeakPolarHBondContact CG2-NE2 3.42Å; I110-H114 PolarHBondContact O-CD2 3.42Å; I110-H114 PolarHBondContact O-N 3.04Å |
| 111 | L | 86.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -35.8 | 176.3 | -71.7 | 171 | 0 | 0 | 0 | 112.4 | V58 C107 V108 E109 H114 L115 A126 C129 L130 F133 | V58-L111 HydrophobicContact CB-CD2 4.42Å; V58-L111 HydrophobicContact CG1-CD2 3.95Å; V58-L111 HydrophobicContact CG2-CD2 3.75Å; C107-L111 WeakPolarHBondContact O-CB 3.34Å; C107-L111 WeakPolarHBondContact O-CG 3.41Å; C107-L111 PolarHBondContact O-N 3.15Å; V108-L111 PolarHBondContact O-N 3.38Å; E109-L111 PolarHBondContact O-N 2.96Å; L111-H114 PolarHBondContact O-N 3.18Å; L111-L115 PolarHBondContact O-N 2.74Å; L111-A126 HydrophobicContact CD2-CB 4.09Å; L111-C129 HydrophobicContact CD1-CB 4.34Å; L111-C129 HydrophobicContact CD2-CB 4.5Å; L111-L130 HydrophobicContact CB-CD1 4.07Å; L111-L130 HydrophobicContact CB-CD2 3.8Å; L111-L130 HydrophobicContact CB-CG 3.9Å; L111-L130 HydrophobicContact CD1-CD2 4.09Å; L111-L130 HydrophobicContact CD1-CG 4.3Å; L111-F133 HydrophobicContact CD1-CD2 4.18Å; L111-F133 HydrophobicContact CD1-CE2 3.6Å; L111-F133 HydrophobicContact CD1-CZ 4.46Å |
| 112 | L | 87.1 | Confident | 85 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -36.9 | 174.7 | -68.8 | 169.3 | 0 | 0 | 0 | 111.6 | V108 E109 I110 H114 L115 L130 A160 V161 | V108-L112 HydrophobicContact CG1-CD1 3.93Å; V108-L112 HydrophobicContact CG1-CG 4.34Å; V108-L112 VanDerWaalsContact O-CG 3.24Å; V108-L112 WeakPolarHBondContact O-CG 3.41Å; V108-L112 PolarHBondContact O-N 2.73Å; E109-L112 PolarHBondContact O-N 2.97Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.26Å; L112-H114 VanDerWaalsContact C-N 3.34Å; L112-L115 HydrophobicContact CD2-CD1 4.05Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 3.2Å; L112-L130 HydrophobicContact CD2-CD1 3.84Å; L112-L130 HydrophobicContact CD2-CD2 4.44Å; L112-L130 HydrophobicContact CG-CD1 4.37Å; L112-L130 HydrophobicContact CG-CD2 4.48Å; L112-A160 HydrophobicContact CD1-CB 3.82Å; L112-A160 HydrophobicContact CD2-CB 4.19Å; L112-V161 HydrophobicContact CD2-CG2 4.09Å |
| 113 | E | 87.6 | Confident | 85.3 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 62% | 0.621 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.8 | -40.4 | 171.8 | -70 | 178.9 | 175.2 | 0 | 0 | 111.4 | E109 I110 L115 H116 | E109-E113 WeakPolarHBondContact O-CG 3.16Å; E109-E113 PolarHBondContact O-N 2.85Å; I110-E113 WeakPolarHBondContact O-CB 3.17Å; I110-E113 PolarHBondContact O-N 3.47Å; E113-L115 PolarHBondContact O-N 2.89Å; E113-H116 WeakPolarHBondContact O-CB 3.38Å; E113-H116 PolarHBondContact O-N 3.33Å |
| 114 | H | 86.4 | Confident | 85.5 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -18.3 | 176.8 | -70.6 | -47.2 | 0 | 0 | 0 | 114.7 | L46 I110 L111 L112 H116 H117 V122 A126 | L46-H114 PolarHBondContact O-CE1 3.08Å; L46-H114 PolarHBondContact O-NE2 2.96Å; I110-H114 VanDerWaalsContact CG2-NE2 3.32Å; I110-H114 WeakPolarHBondContact CG2-NE2 3.42Å; I110-H114 PolarHBondContact O-CD2 3.42Å; I110-H114 PolarHBondContact O-N 3.04Å; L111-H114 PolarHBondContact O-N 3.18Å; L112-H114 VanDerWaalsContact C-N 3.34Å; H114-H116 PolarHBondContact O-N 3.29Å; H114-H117 WeakPolarHBondContact O-CB 3.34Å; H114-H117 PolarHBondContact O-N 2.67Å; H114-V122 HydrophobicContact CB-CG1 4.22Å; H114-A126 HydrophobicContact CB-CB 3.98Å |
| 115 | L | 83.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19 | 170.8 | -61.9 | 177.3 | 0 | 0 | 0 | 112.4 | L111 L112 E113 K123 A126 L127 L130 N164 L175 | L111-L115 PolarHBondContact O-N 2.74Å; L112-L115 HydrophobicContact CD2-CD1 4.05Å; L112-L115 WeakPolarHBondContact O-CB 3.46Å; L112-L115 PolarHBondContact O-N 3.2Å; E113-L115 PolarHBondContact O-N 2.89Å; L115-K123 WeakPolarHBondContact O-CD 3.33Å; L115-K123 WeakPolarHBondContact O-CE 3.49Å; L115-A126 HydrophobicContact CD2-CB 4.27Å; L115-L127 HydrophobicContact CD2-CB 4Å; L115-L130 HydrophobicContact CD1-CD1 3.96Å; L115-L130 HydrophobicContact CD2-CD1 4.4Å; L115-L130 HydrophobicContact CG-CD1 4.29Å; L115-N164 HydrophobicContact CB-CB 4.36Å; L115-N164 HydrophobicContact CD1-CB 3.75Å; L115-L175 HydrophobicContact CD2-CD2 4.32Å |
| 116 | H | 84.3 | Confident | 85.9 | Confident | 69 Ų | 69 | 48.1 Ų | 48.1 | 32% | 0.319 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.7 | 175.5 | -65.3 | 84.9 | 0 | 0 | 0 | 113.8 | E113 H114 N164 L170 | E113-H116 WeakPolarHBondContact O-CB 3.38Å; E113-H116 PolarHBondContact O-N 3.33Å; H114-H116 PolarHBondContact O-N 3.29Å; H116-N164 PolarHBondContact CE1-OD1 3.38Å; H116-L170 HydrophobicContact CB-CD1 4.22Å |
| 117 | H | 83.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 46 Ų | 46 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | trans | -62 | 160.3 | -179.8 | -162.8 | -92.8 | 0 | 0 | 0 | 112 | H114 T119 V122 K123 | H114-H117 WeakPolarHBondContact O-CB 3.34Å; H114-H117 PolarHBondContact O-N 2.67Å; H117-T119 PolarHBondContact CE1-OG1 2.83Å; H117-T119 VanDerWaalsContact CE1-OG1 3.25Å; H117-T119 PolarHBondContact ND1-N 2.99Å; H117-T119 VanDerWaalsContact ND1-N 3.19Å; H117-T119 PolarHBondContact ND1-OG1 2.94Å; H117-V122 HydrophobicContact CB-CG1 4.28Å; H117-K123 WeakPolarHBondContact O-CE 3.39Å; H117-K123 PolarHBondContact O-NZ 2.97Å | ||
| 118 | E | 79.9 | Confident | 86.2 | Confident | 192 Ų | 192 | 47.1 Ų | 47.1 | 90% | 0.897 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -71.4 | -39.4 | 179.4 | -61.9 | -170.9 | 166.1 | 0 | 0 | 111.6 | ||
| 119 | T | 84.9 | Confident | 86.2 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | trans | -81.6 | 128.3 | -175.1 | -33.4 | 0 | 0 | 0 | 0 | 113.4 | E51 H117 E121 V122 K123 | E51-T119 WeakPolarHBondContact OE1-CB 3.45Å; E51-T119 WeakPolarHBondContact OE1-CG2 3.28Å; E51-T119 PolarHBondContact OE1-OG1 3.41Å; H117-T119 PolarHBondContact CE1-OG1 2.83Å; H117-T119 VanDerWaalsContact CE1-OG1 3.25Å; H117-T119 PolarHBondContact ND1-N 2.99Å; H117-T119 VanDerWaalsContact ND1-N 3.19Å; H117-T119 PolarHBondContact ND1-OG1 2.94Å; T119-E121 PolarHBondContact O-N 3.45Å; T119-V122 PolarHBondContact O-N 3.47Å; T119-K123 PolarHBondContact O-N 2.91Å | ||
| 120 | H | 85.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 41 Ų | 41 | 32% | 0.315 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 179.5 | -177.7 | -88.2 | 0 | 0 | 0 | 113.4 | V122 K123 E124 L174 | H120-V122 VanDerWaalsContact C-N 3.29Å; H120-V122 PolarHBondContact O-N 2.87Å; H120-K123 WeakPolarHBondContact O-CB 3.32Å; H120-K123 PolarHBondContact O-N 3.38Å; H120-K123 VanDerWaalsContact O-N 3.14Å; H120-E124 IonicContact CE1-OE2 2.76Å; H120-E124 IonicContact ND1-OE2 2.76Å; H120-E124 PolarHBondContact O-N 3.44Å; H120-L174 WeakPolarHBondContact NE2-CB 3.3Å |
| 121 | E | 85.9 | Confident | 86.4 | Confident | 124 Ų | 124 | 40.4 Ų | 40.4 | 58% | 0.579 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.2 | -39.6 | -177.7 | -62.2 | -177.3 | 177.3 | 0 | 0 | 112.4 | I55 T119 S125 | I55-E121 HydrophobicContact CD1-CB 4.14Å; T119-E121 PolarHBondContact O-N 3.45Å; E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.19Å |
| 122 | V | 86.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -43.3 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | E51 V54 I55 H114 H117 T119 H120 E124 S125 A126 | E51-V122 HydrophobicContact CB-CG2 4.19Å; E51-V122 HydrophobicContact CG-CG2 4.47Å; V54-V122 HydrophobicContact CG1-CG1 3.91Å; I55-V122 HydrophobicContact CD1-CG2 4.47Å; I55-V122 HydrophobicContact CG1-CG2 4.28Å; H114-V122 HydrophobicContact CB-CG1 4.22Å; H117-V122 HydrophobicContact CB-CG1 4.28Å; T119-V122 PolarHBondContact O-N 3.47Å; H120-V122 VanDerWaalsContact C-N 3.29Å; H120-V122 PolarHBondContact O-N 2.87Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 3.47Å; V122-S125 PolarHBondContact O-N 3.24Å; V122-A126 WeakPolarHBondContact O-CB 3.38Å; V122-A126 PolarHBondContact O-N 2.9Å |
| 123 | K | 88.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.087 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.3 | -64.3 | -174.4 | -176.5 | -172.7 | 0 | 111.9 | L115 H117 T119 H120 A126 L127 N172 L175 | L115-K123 WeakPolarHBondContact O-CD 3.33Å; L115-K123 WeakPolarHBondContact O-CE 3.49Å; H117-K123 WeakPolarHBondContact O-CE 3.39Å; H117-K123 PolarHBondContact O-NZ 2.97Å; T119-K123 PolarHBondContact O-N 2.91Å; H120-K123 WeakPolarHBondContact O-CB 3.32Å; H120-K123 PolarHBondContact O-N 3.38Å; H120-K123 VanDerWaalsContact O-N 3.14Å; K123-A126 PolarHBondContact O-N 3.29Å; K123-L127 WeakPolarHBondContact O-CB 3.31Å; K123-L127 PolarHBondContact O-N 3.48Å; K123-N172 PolarHBondContact NZ-OD1 2.93Å; K123-L175 HydrophobicContact CB-CD1 4.05Å |
| 124 | E | 87.9 | Confident | 86 | Confident | 60 Ų | 60 | 38 Ų | 38 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.8 | -47.7 | -179.6 | 176.3 | 171.9 | -176.3 | 0 | 0 | 111.5 | H120 V122 A126 L127 C128 R178 | H120-E124 IonicContact CE1-OE2 2.76Å; H120-E124 IonicContact ND1-OE2 2.76Å; H120-E124 PolarHBondContact O-N 3.44Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 3.47Å; E124-A126 PolarHBondContact O-N 3.34Å; E124-L127 PolarHBondContact O-N 2.9Å; E124-C128 WeakPolarHBondContact O-CB 3.49Å; E124-C128 PolarHBondContact O-N 3.46Å; E124-C128 PolarHBondContact O-SG 2.76Å; E124-R178 HydrophobicContact CG-CG 4.17Å; E124-R178 VanDerWaalsContact OE1-CD 3.32Å; E124-R178 WeakPolarHBondContact OE1-CD 3.29Å; E124-R178 IonicContact OE1-CZ 3.99Å; E124-R178 IonicContact OE1-NE 3.13Å; E124-R178 PolarHBondContact OE1-NE 3.04Å |
| 125 | S | 86.6 | Confident | 86 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | V58 E121 V122 L127 C128 C129 | V58-S125 WeakPolarHBondContact CG1-OG 3.24Å; E121-S125 WeakPolarHBondContact O-CB 3.34Å; E121-S125 PolarHBondContact O-N 3.19Å; V122-S125 PolarHBondContact O-N 3.24Å; S125-L127 PolarHBondContact O-N 3.29Å; S125-C128 PolarHBondContact O-N 3.48Å; S125-C129 WeakPolarHBondContact O-CB 3.33Å; S125-C129 PolarHBondContact O-N 3.42Å |
| 126 | A | 89.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L111 H114 L115 V122 K123 E124 C129 L130 | L111-A126 HydrophobicContact CD2-CB 4.09Å; H114-A126 HydrophobicContact CB-CB 3.98Å; L115-A126 HydrophobicContact CD2-CB 4.27Å; V122-A126 WeakPolarHBondContact O-CB 3.38Å; V122-A126 PolarHBondContact O-N 2.9Å; K123-A126 PolarHBondContact O-N 3.29Å; E124-A126 PolarHBondContact O-N 3.34Å; A126-C129 PolarHBondContact O-N 3.5Å; A126-L130 VanDerWaalsContact O-CG 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.37Å; A126-L130 PolarHBondContact O-N 3.48Å |
| 127 | L | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.1 | 179.8 | 66 | 0 | 0 | 0 | 111.5 | L115 K123 E124 S125 C129 L130 M131 V161 I165 L175 F179 | L115-L127 HydrophobicContact CD2-CB 4Å; K123-L127 WeakPolarHBondContact O-CB 3.31Å; K123-L127 PolarHBondContact O-N 3.48Å; E124-L127 PolarHBondContact O-N 2.9Å; S125-L127 PolarHBondContact O-N 3.29Å; L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.22Å; L127-L130 PolarHBondContact O-N 3.11Å; L127-M131 HydrophobicContact CD1-CG 4.33Å; L127-M131 WeakPolarHBondContact O-CG 3.32Å; L127-M131 PolarHBondContact O-N 3.07Å; L127-V161 HydrophobicContact CD1-CG1 3.66Å; L127-I165 HydrophobicContact CD1-CD1 4.03Å; L127-L175 HydrophobicContact CB-CD1 4.03Å; L127-L175 HydrophobicContact CD2-CD1 3.55Å; L127-L175 HydrophobicContact CD2-CG 4Å; L127-L175 HydrophobicContact CG-CD1 4.37Å; L127-F179 HydrophobicContact CD1-CD2 4Å; L127-F179 HydrophobicContact CD1-CE2 4.46Å; L127-F179 HydrophobicContact CD2-CB 4.18Å; L127-F179 HydrophobicContact CD2-CD2 4.2Å |
| 128 | C | 88.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 34.9 Ų | 34.9 | 16% | 0.162 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -38.2 | 179.1 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | E124 S125 K132 | E124-C128 WeakPolarHBondContact O-CB 3.49Å; E124-C128 PolarHBondContact O-N 3.46Å; E124-C128 PolarHBondContact O-SG 2.76Å; S125-C128 PolarHBondContact O-N 3.48Å; C128-K132 VanDerWaalsContact O-CG 3.28Å; C128-K132 WeakPolarHBondContact O-CG 3.31Å; C128-K132 PolarHBondContact O-N 2.93Å |
| 129 | C | 86.7 | Confident | 84.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | V58 C62 L111 S125 A126 L127 M131 K132 F133 | V58-C129 HydrophobicContact CG1-CB 3.56Å; C62-C129 VanDerWaalsContact CB-SG 3.57Å; L111-C129 HydrophobicContact CD1-CB 4.34Å; L111-C129 HydrophobicContact CD2-CB 4.5Å; S125-C129 WeakPolarHBondContact O-CB 3.33Å; S125-C129 PolarHBondContact O-N 3.42Å; A126-C129 PolarHBondContact O-N 3.5Å; L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.22Å; C129-M131 VanDerWaalsContact C-N 3.33Å; C129-M131 PolarHBondContact O-N 3.17Å; C129-K132 PolarHBondContact O-N 3.17Å; C129-F133 WeakPolarHBondContact O-CG 3.27Å; C129-F133 PolarHBondContact O-N 2.79Å |
| 130 | L | 88.1 | Confident | 84 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.3 | -72.1 | 166.2 | 0 | 0 | 0 | 112.3 | V108 L111 L112 L115 A126 L127 F133 A134 L157 V161 | V108-L130 HydrophobicContact CG1-CD2 4.14Å; L111-L130 HydrophobicContact CB-CD1 4.07Å; L111-L130 HydrophobicContact CB-CD2 3.8Å; L111-L130 HydrophobicContact CB-CG 3.9Å; L111-L130 HydrophobicContact CD1-CD2 4.09Å; L111-L130 HydrophobicContact CD1-CG 4.3Å; L112-L130 HydrophobicContact CD2-CD1 3.84Å; L112-L130 HydrophobicContact CD2-CD2 4.44Å; L112-L130 HydrophobicContact CG-CD1 4.37Å; L112-L130 HydrophobicContact CG-CD2 4.48Å; L115-L130 HydrophobicContact CD1-CD1 3.96Å; L115-L130 HydrophobicContact CD2-CD1 4.4Å; L115-L130 HydrophobicContact CG-CD1 4.29Å; A126-L130 VanDerWaalsContact O-CG 3.31Å; A126-L130 WeakPolarHBondContact O-CG 3.37Å; A126-L130 PolarHBondContact O-N 3.48Å; L127-L130 PolarHBondContact O-N 3.11Å; L130-F133 WeakPolarHBondContact O-CB 3.44Å; L130-F133 PolarHBondContact O-N 3.35Å; L130-A134 PolarHBondContact O-N 3.01Å; L130-L157 HydrophobicContact CD2-CD1 4.03Å; L130-V161 HydrophobicContact CB-CG2 4Å; L130-V161 HydrophobicContact CD1-CG2 4.06Å; L130-V161 HydrophobicContact CG-CG2 4.5Å |
| 131 | M | 88 | Confident | 83.2 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.4 | -37.1 | 176.5 | -66.4 | -51.1 | -66.5 | 0 | 0 | 112.6 | L127 C129 F133 A134 A135 F179 F182 I188 M239 | L127-M131 HydrophobicContact CD1-CG 4.33Å; L127-M131 WeakPolarHBondContact O-CG 3.32Å; L127-M131 PolarHBondContact O-N 3.07Å; C129-M131 VanDerWaalsContact C-N 3.33Å; C129-M131 PolarHBondContact O-N 3.17Å; M131-F133 VanDerWaalsContact C-N 3.33Å; M131-A134 PolarHBondContact O-N 3.15Å; M131-A135 PolarHBondContact O-N 3.2Å; M131-F179 HydrophobicContact CE-CE2 4.11Å; M131-F179 HydrophobicContact SD-CE2 3.8Å; M131-F182 HydrophobicContact CB-CD1 4.11Å; M131-F182 HydrophobicContact CB-CD2 4.49Å; M131-F182 HydrophobicContact CB-CE1 3.76Å; M131-F182 HydrophobicContact CB-CE2 4.2Å; M131-F182 HydrophobicContact CB-CG 4.47Å; M131-F182 HydrophobicContact CB-CZ 3.82Å; M131-F182 HydrophobicContact CE-CB 3.87Å; M131-F182 HydrophobicContact CE-CD1 4.18Å; M131-F182 HydrophobicContact CE-CD2 4.44Å; M131-F182 HydrophobicContact CE-CG 3.92Å; M131-F182 HydrophobicContact CG-CD1 4.21Å; M131-F182 HydrophobicContact CG-CD2 3.82Å; M131-F182 HydrophobicContact CG-CE1 4.14Å; M131-F182 HydrophobicContact CG-CE2 3.76Å; M131-F182 HydrophobicContact CG-CG 4.06Å; M131-F182 HydrophobicContact CG-CZ 3.93Å; M131-I188 HydrophobicContact CE-CD1 3.64Å; M131-M239 HydrophobicContact CE-CE 4.13Å; M131-M239 WeakPolarHBondContact O-CE 3.45Å |
| 132 | K | 85.4 | Confident | 82.2 | Confident | 105 Ų | 105 | 25.3 Ų | 25.3 | 46% | 0.457 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 170.7 | -74.8 | 170.9 | -176.5 | 172.2 | 0 | 111.3 | C62 C128 C129 A135 E136 | C62-K132 WeakPolarHBondContact SG-CD 3.4Å; C128-K132 VanDerWaalsContact O-CG 3.28Å; C128-K132 WeakPolarHBondContact O-CG 3.31Å; C128-K132 PolarHBondContact O-N 2.93Å; C129-K132 PolarHBondContact O-N 3.17Å; K132-A135 PolarHBondContact O-N 2.97Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.42Å; K132-E136 PolarHBondContact O-N 2.91Å |
| 133 | F | 84.8 | Confident | 81 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | 172.8 | -77.5 | -6.2 | 0 | 0 | 0 | 111.8 | F65 Y104 V108 L111 C129 L130 M131 A135 E136 Q137 L157 | F65-F133 HydrophobicContact CB-CD1 4.5Å; F65-F133 HydrophobicContact CB-CE1 3.63Å; F65-F133 HydrophobicContact CB-CZ 3.76Å; F65-F133 HydrophobicContact CD2-CZ 4Å; F65-F133 HydrophobicContact CG-CZ 4.32Å; Y104-F133 HydrophobicContact CE2-CD1 4.25Å; Y104-F133 AromaticContact CE2-CD2 3.82Å; Y104-F133 HydrophobicContact CE2-CD2 3.82Å; Y104-F133 HydrophobicContact CE2-CE1 4.42Å; Y104-F133 HydrophobicContact CE2-CE2 4.01Å; Y104-F133 AromaticContact CE2-CG 3.96Å; Y104-F133 HydrophobicContact CE2-CG 3.96Å; Y104-F133 HydrophobicContact CE2-CZ 4.32Å; Y104-F133 WeakPolarHBondContact OH-CB 3.36Å; V108-F133 HydrophobicContact CG2-CD2 4.15Å; L111-F133 HydrophobicContact CD1-CD2 4.18Å; L111-F133 HydrophobicContact CD1-CE2 3.6Å; L111-F133 HydrophobicContact CD1-CZ 4.46Å; C129-F133 WeakPolarHBondContact O-CG 3.27Å; C129-F133 PolarHBondContact O-N 2.79Å; L130-F133 WeakPolarHBondContact O-CB 3.44Å; L130-F133 PolarHBondContact O-N 3.35Å; M131-F133 VanDerWaalsContact C-N 3.33Å; F133-A135 VanDerWaalsContact C-N 3.26Å; F133-A135 PolarHBondContact O-N 2.91Å; F133-E136 PolarHBondContact O-N 2.89Å; F133-Q137 WeakPolarHBondContact O-CB 3.28Å; F133-Q137 VanDerWaalsContact O-CG 3.25Å; F133-Q137 WeakPolarHBondContact O-CG 3.42Å; F133-Q137 PolarHBondContact O-N 3.31Å; F133-L157 HydrophobicContact CB-CD2 4.12Å |
| 134 | A | 84.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.6 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L130 M131 E136 Q137 G138 P154 L157 I158 M239 | L130-A134 PolarHBondContact O-N 3.01Å; M131-A134 PolarHBondContact O-N 3.15Å; A134-E136 PolarHBondContact O-N 3.49Å; A134-Q137 PolarHBondContact O-N 3.02Å; A134-G138 PolarHBondContact O-N 3.43Å; A134-P154 HydrophobicContact CB-CB 4.46Å; A134-P154 HydrophobicContact CB-CG 3.77Å; A134-P154 WeakPolarHBondContact O-CG 3.48Å; A134-L157 HydrophobicContact CB-CD2 3.88Å; A134-I158 HydrophobicContact CB-CD1 4.25Å; A134-I158 HydrophobicContact CB-CG1 4.13Å; A134-M239 HydrophobicContact CB-CE 3.85Å |
| 135 | A | 84.6 | Confident | 77.6 | Confident | 29 Ų | 29 | 35.7 Ų | 35.7 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M131 K132 F133 G138 L139 M239 | M131-A135 PolarHBondContact O-N 3.2Å; K132-A135 PolarHBondContact O-N 2.97Å; F133-A135 VanDerWaalsContact C-N 3.26Å; F133-A135 PolarHBondContact O-N 2.91Å; A135-G138 PolarHBondContact O-N 3.39Å; A135-L139 PolarHBondContact O-N 3.4Å; A135-L139 VanDerWaalsContact O-N 3.17Å; A135-M239 HydrophobicContact CB-CE 3.61Å; A135-M239 HydrophobicContact CB-CG 4.35Å |
| 136 | E | 79.4 | Confident | 75.6 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.3 | -35.8 | 177.8 | -62.7 | -68.1 | 171.9 | 0 | 0 | 112 | C66 L69 K70 K132 F133 A134 G138 L139 H140 | C66-E136 HydrophobicContact CB-CG 4.04Å; L69-E136 HydrophobicContact CB-CB 4.18Å; L69-E136 HydrophobicContact CD1-CB 3.72Å; K70-E136 WeakPolarHBondContact CE-OE1 3.24Å; K70-E136 WeakPolarHBondContact CE-OE2 3.36Å; K70-E136 IonicContact NZ-OE1 3.35Å; K70-E136 PolarHBondContact NZ-OE1 3.34Å; K70-E136 IonicContact NZ-OE2 3.2Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.42Å; K132-E136 PolarHBondContact O-N 2.91Å; F133-E136 PolarHBondContact O-N 2.89Å; A134-E136 PolarHBondContact O-N 3.49Å; E136-G138 VanDerWaalsContact C-N 3.31Å; E136-G138 PolarHBondContact O-N 3.36Å; E136-L139 PolarHBondContact O-N 3.45Å; E136-H140 WeakPolarHBondContact O-CB 3.35Å; E136-H140 PolarHBondContact O-N 3.47Å |
| 137 | Q | 78.6 | Confident | 73.6 | Confident | 27 Ų | 27 | 49.7 Ų | 49.7 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 171.8 | -70.8 | -166 | -8.1 | 0 | 0 | 112.6 | L69 Y104 F133 A134 H140 P141 L142 P154 | L69-Q137 HydrophobicContact CD1-CG 4.46Å; Y104-Q137 VanDerWaalsContact CZ-NE2 3.35Å; Y104-Q137 PolarHBondContact OH-NE2 3.09Å; F133-Q137 WeakPolarHBondContact O-CB 3.28Å; F133-Q137 VanDerWaalsContact O-CG 3.25Å; F133-Q137 WeakPolarHBondContact O-CG 3.42Å; F133-Q137 PolarHBondContact O-N 3.31Å; A134-Q137 PolarHBondContact O-N 3.02Å; Q137-H140 CarbonylContact O-C 3.46Å; Q137-H140 VanDerWaalsContact O-C 3.24Å; Q137-P141 WeakPolarHBondContact O-CA 3.33Å; Q137-L142 HydrophobicContact CB-CD1 4.36Å; Q137-L142 HydrophobicContact CG-CD1 3.55Å; Q137-P154 HydrophobicContact CB-CB 4.04Å; Q137-P154 HydrophobicContact CB-CG 4.49Å |
| 138 | G | 72.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | A134 A135 E136 | A134-G138 PolarHBondContact O-N 3.43Å; A135-G138 PolarHBondContact O-N 3.39Å; E136-G138 VanDerWaalsContact C-N 3.31Å; E136-G138 PolarHBondContact O-N 3.36Å |
| 139 | L | 74.1 | Confident | 69.3 | Low | 101 Ų | 101 | 61.3 Ų | 61.3 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -78.2 | -33 | 175.3 | -67.1 | 172.9 | 0 | 0 | 0 | 113 | A135 E136 | A135-L139 PolarHBondContact O-N 3.4Å; A135-L139 VanDerWaalsContact O-N 3.17Å; E136-L139 PolarHBondContact O-N 3.45Å |
| 140 | H | 71.4 | Confident | 67.4 | Low | 50 Ų | 50 | 69.1 Ų | 69.1 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -129.4 | 84.9 | -176.3 | -59.9 | -45.2 | 0 | 0 | 0 | 110.1 | E136 Q137 | E136-H140 WeakPolarHBondContact O-CB 3.35Å; E136-H140 PolarHBondContact O-N 3.47Å; Q137-H140 CarbonylContact O-C 3.46Å; Q137-H140 VanDerWaalsContact O-C 3.24Å |
| 141 | P | 68.3 | Low | 65.7 | Low | 48 Ų | 48 | 71.2 Ų | 71.2 | 31% | 0.312 | 35% | 0.354 | S | S | . | . | trans | -61.4 | 138.7 | -176.1 | -23.7 | 35.4 | 0 | 0 | 0 | 111.7 | Q137 S152 | Q137-P141 WeakPolarHBondContact O-CA 3.33Å; P141-S152 VanDerWaalsContact CG-CB 3.41Å; P141-S152 VanDerWaalsContact CG-OG 3.23Å; P141-S152 WeakPolarHBondContact CG-OG 3.41Å | ||
| 142 | L | 63.8 | Low | 64.3 | Low | 14 Ų | 14 | 72.9 Ų | 72.9 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -99 | 2.4 | 179.2 | -67.2 | 146.3 | 0 | 0 | 0 | 112.5 | L69 L74 I76 G77 R101 Q137 | L69-L142 HydrophobicContact CD2-CD1 3.79Å; L69-L142 HydrophobicContact CD2-CD2 3.83Å; L69-L142 HydrophobicContact CD2-CG 4.02Å; L74-L142 HydrophobicContact CB-CD2 3.67Å; L74-L142 HydrophobicContact CD1-CD2 4.05Å; I76-L142 WeakPolarHBondContact CA-O 3.13Å; G77-L142 PolarHBondContact N-O 3.01Å; R101-L142 VanDerWaalsContact NH1-CD1 3.3Å; Q137-L142 HydrophobicContact CB-CD1 4.36Å; Q137-L142 HydrophobicContact CG-CD1 3.55Å |
| 143 | E | 61.7 | Low | 63.5 | Low | 111 Ų | 111 | 68.8 Ų | 68.8 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -110.3 | 129.2 | 172.6 | -64.3 | -173.6 | 160.1 | 0 | 0 | 108.5 | L145 | E143-L145 HydrophobicContact CB-CD1 4.35Å; E143-L145 HydrophobicContact CB-CG 4.49Å; E143-L145 PolarHBondContact O-N 3.34Å |
| 144 | D | 50.6 | Low | 63.2 | Low | 110 Ų | 110 | 69.2 Ų | 69.2 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | trans | -72 | 87.7 | 164.6 | -95.9 | -24.6 | 0 | 0 | 0 | 107.1 | I76 D146 | I76-D144 HydrophobicContact CG2-CB 4.17Å; I76-D144 WeakPolarHBondContact CG2-OD1 3.35Å; D144-D146 PolarHBondContact O-N 2.91Å | ||
| 145 | L | 53.8 | Low | 63 | Low | 78 Ų | 78 | 75 Ų | 75 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | trans | -78.6 | 97.8 | 163.5 | -76.1 | 139.7 | 0 | 0 | 0 | 105.7 | E143 W147 | E143-L145 HydrophobicContact CB-CD1 4.35Å; E143-L145 HydrophobicContact CB-CG 4.49Å; E143-L145 PolarHBondContact O-N 3.34Å; L145-W147 PolarHBondContact O-N 3.49Å | ||
| 146 | D | 44.2 | Very low | 62.9 | Low | 141 Ų | 141 | 80.5 Ų | 80.5 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -55.9 | 8 | 178.3 | -81.2 | -35.4 | 0 | 0 | 0 | 115.2 | D144 | D144-D146 PolarHBondContact O-N 2.91Š|
| 147 | W | 48.7 | Very low | 63.1 | Low | 172 Ų | 172 | 79.9 Ų | 79.9 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -138.9 | 117.1 | -177.7 | -59.9 | 78.2 | 0 | 0 | 0 | 108.1 | L145 E149 Y150 | L145-W147 PolarHBondContact O-N 3.49Å; W147-E149 PolarHBondContact O-N 3.3Å; W147-Y150 HydrophobicContact CB-CD2 4.33Å; W147-Y150 PolarHBondContact O-N 2.93Å |
| 148 | S | 43 | Very low | 63.4 | Low | 126 Ų | 126 | 78.6 Ų | 78.6 | 88% | 0.881 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 16.9 | 170.9 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 149 | E | 42.9 | Very low | 64.1 | Low | 141 Ų | 141 | 83 Ų | 83 | 66% | 0.659 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | -5.1 | -168.2 | -64.3 | -172.3 | 155.3 | 0 | 0 | 113.1 | W147 | W147-E149 PolarHBondContact O-N 3.3Š|
| 150 | Y | 47.1 | Very low | 64.7 | Low | 167 Ų | 167 | 79.5 Ų | 79.5 | 66% | 0.655 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -116.2 | 126.9 | 178.7 | -74.3 | -81.6 | 0 | 0 | 0 | 113 | W147 S152 | W147-Y150 HydrophobicContact CB-CD2 4.33Å; W147-Y150 PolarHBondContact O-N 2.93Å; Y150-S152 PolarHBondContact O-N 2.96Å |
| 151 | F | 52.4 | Low | 65.5 | Low | 44 Ų | 44 | 77.2 Ų | 77.2 | 19% | 0.193 | 38% | 0.381 | C | S | . | . | trans | -54.1 | 114.4 | 179.9 | -178.9 | -103.8 | 0 | 0 | 0 | 112.8 | F153 Y191 W249 | F151-F153 HydrophobicContact CD1-CB 3.48Å; F151-F153 VanDerWaalsContact CD1-CB 3.48Å; F151-F153 HydrophobicContact CD1-CG 4.44Å; F151-F153 HydrophobicContact CE1-CB 2.94Å; F151-F153 HydrophobicContact CE1-CD1 4.3Å; F151-F153 AromaticContact CE1-CD2 3.85Å; F151-F153 HydrophobicContact CE1-CD2 3.85Å; F151-F153 AromaticContact CE1-CG 3.49Å; F151-F153 HydrophobicContact CE1-CG 3.49Å; F151-F153 VanDerWaalsContact CE1-CG 3.49Å; F151-F153 HydrophobicContact CZ-CB 3.6Å; F151-F153 AromaticContact CZ-CD2 3.79Å; F151-F153 HydrophobicContact CZ-CD2 3.79Å; F151-F153 AromaticContact CZ-CG 3.94Å; F151-F153 HydrophobicContact CZ-CG 3.94Å; F151-F153 PolarHBondContact O-N 3.27Å; F151-Y191 HydrophobicContact CD1-CE2 4.24Å; F151-Y191 AromaticContact CD1-CZ 3.92Å; F151-Y191 WeakPolarHBondContact CD1-OH 3.47Å; F151-Y191 HydrophobicContact CE1-CD2 4.37Å; F151-Y191 AromaticContact CE1-CE2 3.21Å; F151-Y191 HydrophobicContact CE1-CE2 3.21Å; F151-Y191 AromaticContact CE1-CZ 3.32Å; F151-Y191 WeakPolarHBondContact CE1-OH 3.17Å; F151-Y191 AromaticContact CZ-CE2 3.69Å; F151-Y191 HydrophobicContact CZ-CE2 3.69Å; F151-W249 AromaticContact CD2-NE1 3.61Å; F151-W249 AromaticContact CE2-CD1 3.97Å; F151-W249 HydrophobicContact CE2-CD2 4.46Å; F151-W249 AromaticContact CE2-CE2 3.47Å; F151-W249 VanDerWaalsContact CE2-CE2 3.47Å; F151-W249 AromaticContact CE2-CZ2 3.63Å; F151-W249 HydrophobicContact CE2-CZ2 3.63Å; F151-W249 AromaticContact CE2-NE1 3.1Å; F151-W249 HydrophobicContact CZ-CZ2 4.15Å; F151-W249 AromaticContact CZ-NE1 3.53Å | ||
| 152 | S | 59.3 | Low | 66.4 | Low | 38 Ų | 38 | 75 Ų | 75 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | trans | -88.9 | 91.8 | 175.3 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | P141 Y150 | P141-S152 VanDerWaalsContact CG-CB 3.41Å; P141-S152 VanDerWaalsContact CG-OG 3.23Å; P141-S152 WeakPolarHBondContact CG-OG 3.41Å; Y150-S152 PolarHBondContact O-N 2.96Å | ||
| 153 | F | 68.7 | Low | 67.5 | Low | 19 Ų | 19 | 79.1 Ų | 79.1 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | trans | -125.4 | 141.7 | 173.9 | 179 | -90.3 | 0 | 0 | 0 | 109.7 | F151 R155 I158 D187 I188 Y191 V240 | F151-F153 HydrophobicContact CD1-CB 3.48Å; F151-F153 VanDerWaalsContact CD1-CB 3.48Å; F151-F153 HydrophobicContact CD1-CG 4.44Å; F151-F153 HydrophobicContact CE1-CB 2.94Å; F151-F153 HydrophobicContact CE1-CD1 4.3Å; F151-F153 AromaticContact CE1-CD2 3.85Å; F151-F153 HydrophobicContact CE1-CD2 3.85Å; F151-F153 AromaticContact CE1-CG 3.49Å; F151-F153 HydrophobicContact CE1-CG 3.49Å; F151-F153 VanDerWaalsContact CE1-CG 3.49Å; F151-F153 HydrophobicContact CZ-CB 3.6Å; F151-F153 AromaticContact CZ-CD2 3.79Å; F151-F153 HydrophobicContact CZ-CD2 3.79Å; F151-F153 AromaticContact CZ-CG 3.94Å; F151-F153 HydrophobicContact CZ-CG 3.94Å; F151-F153 PolarHBondContact O-N 3.27Å; F153-R155 HydrophobicContact CD1-CG 3.72Å; F153-R155 HydrophobicContact CE1-CG 4.49Å; F153-R155 PolarHBondContact O-N 3.12Å; F153-I158 HydrophobicContact CD1-CD1 4.34Å; F153-I158 HydrophobicContact CE1-CD1 3.41Å; F153-I158 VanDerWaalsContact CE1-CD1 3.41Å; F153-I158 HydrophobicContact CE1-CG1 4.49Å; F153-I158 HydrophobicContact CE2-CD1 3.98Å; F153-I158 HydrophobicContact CZ-CD1 3.19Å; F153-D187 HydrophobicContact CE2-CB 4.11Å; F153-I188 HydrophobicContact CE2-CG1 4.46Å; F153-I188 HydrophobicContact CZ-CG1 4.39Å; F153-Y191 AromaticContact CD1-CD2 3.64Å; F153-Y191 HydrophobicContact CD1-CD2 3.64Å; F153-Y191 AromaticContact CD1-CE2 3.93Å; F153-Y191 HydrophobicContact CD1-CE2 3.93Å; F153-Y191 HydrophobicContact CD1-CG 4.04Å; F153-Y191 HydrophobicContact CD2-CD2 4.23Å; F153-Y191 HydrophobicContact CD2-CE2 4.25Å; F153-Y191 HydrophobicContact CE1-CD1 4.46Å; F153-Y191 AromaticContact CE1-CD2 3.28Å; F153-Y191 HydrophobicContact CE1-CD2 3.28Å; F153-Y191 HydrophobicContact CE1-CE2 4.04Å; F153-Y191 AromaticContact CE1-CG 3.56Å; F153-Y191 HydrophobicContact CE1-CG 3.56Å; F153-Y191 AromaticContact CE2-CD2 3.94Å; F153-Y191 HydrophobicContact CE2-CD2 3.94Å; F153-Y191 HydrophobicContact CE2-CE2 4.37Å; F153-Y191 HydrophobicContact CG-CD2 4.09Å; F153-Y191 HydrophobicContact CG-CE2 4.03Å; F153-Y191 AromaticContact CZ-CD2 3.45Å; F153-Y191 HydrophobicContact CZ-CD2 3.45Å; F153-Y191 VanDerWaalsContact CZ-CD2 3.45Å; F153-Y191 HydrophobicContact CZ-CE2 4.26Å; F153-Y191 HydrophobicContact CZ-CG 4.07Å; F153-V240 HydrophobicContact CD2-CG2 4.41Å | ||
| 154 | P | 77.3 | Confident | 68.6 | Low | 10 Ų | 10 | 75.3 Ų | 75.3 | 7% | 0.065 | 37% | 0.368 | C | S | . | . | trans | -74.9 | 66.8 | -175.8 | 35.3 | -40.7 | 0 | 0 | 0 | 111 | A134 Q137 E156 L157 I158 | A134-P154 HydrophobicContact CB-CB 4.46Å; A134-P154 HydrophobicContact CB-CG 3.77Å; A134-P154 WeakPolarHBondContact O-CG 3.48Å; Q137-P154 HydrophobicContact CB-CB 4.04Å; Q137-P154 HydrophobicContact CB-CG 4.49Å; P154-E156 VanDerWaalsContact C-N 3.34Å; P154-E156 PolarHBondContact O-N 3.41Å; P154-L157 HydrophobicContact CB-CB 4.23Å; P154-L157 PolarHBondContact O-N 2.89Å; P154-I158 HydrophobicContact CG-CD1 3.96Å; P154-I158 HydrophobicContact CG-CG1 4.42Å; P154-I158 PolarHBondContact O-N 3.38Å; P154-I158 VanDerWaalsContact O-N 3.07Å | ||
| 155 | R | 79.6 | Confident | 70.3 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | -177.9 | -70.6 | -176.8 | 179.2 | 173.2 | 3.1 | 111 | F153 Q159 Y191 F195 | F153-R155 HydrophobicContact CD1-CG 3.72Å; F153-R155 HydrophobicContact CE1-CG 4.49Å; F153-R155 PolarHBondContact O-N 3.12Å; R155-Q159 WeakPolarHBondContact O-CB 3.39Å; R155-Q159 PolarHBondContact O-N 2.98Å; R155-Y191 HydrophobicContact CG-CD1 4.45Å; R155-Y191 HydrophobicContact CG-CE1 4.46Å; R155-Y191 VanDerWaalsContact NE-CE1 3.3Å; R155-Y191 PolarHBondContact NH2-OH 3.1Å; R155-F195 HydrophobicContact CB-CZ 3.91Å; R155-F195 HydrophobicContact CG-CZ 4.22Å; R155-F195 WeakPolarHBondContact O-CZ 3.48Å |
| 156 | E | 83 | Confident | 71.8 | Confident | 145 Ų | 145 | 66.6 Ų | 66.6 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | -177.8 | -59 | -172.3 | 159.2 | 0 | 0 | 111.9 | P154 Q159 A160 | P154-E156 VanDerWaalsContact C-N 3.34Å; P154-E156 PolarHBondContact O-N 3.41Å; E156-Q159 PolarHBondContact O-N 3.39Å; E156-A160 WeakPolarHBondContact O-CB 3.34Å; E156-A160 PolarHBondContact O-N 2.83Å |
| 157 | L | 83.8 | Confident | 73.6 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -48.5 | 179.5 | -176.7 | 63.3 | 0 | 0 | 0 | 111.2 | V108 L130 F133 A134 P154 Q159 A160 V161 | V108-L157 HydrophobicContact CG1-CD1 3.44Å; V108-L157 VanDerWaalsContact CG1-CD1 3.44Å; V108-L157 HydrophobicContact CG2-CD1 4.27Å; L130-L157 HydrophobicContact CD2-CD1 4.03Å; F133-L157 HydrophobicContact CB-CD2 4.12Å; A134-L157 HydrophobicContact CB-CD2 3.88Å; P154-L157 HydrophobicContact CB-CB 4.23Å; P154-L157 PolarHBondContact O-N 2.89Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.39Å; L157-A160 WeakPolarHBondContact O-CB 3.24Å; L157-A160 PolarHBondContact O-N 3.17Å; L157-V161 WeakPolarHBondContact O-CG2 3.23Å; L157-V161 PolarHBondContact O-N 2.71Å |
| 158 | I | 85.5 | Confident | 75 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -38.5 | 179.8 | -68.2 | 171.1 | 0 | 0 | 0 | 110.6 | A134 F153 P154 A160 V161 V162 V192 F195 | A134-I158 HydrophobicContact CB-CD1 4.25Å; A134-I158 HydrophobicContact CB-CG1 4.13Å; F153-I158 HydrophobicContact CD1-CD1 4.34Å; F153-I158 HydrophobicContact CE1-CD1 3.41Å; F153-I158 VanDerWaalsContact CE1-CD1 3.41Å; F153-I158 HydrophobicContact CE1-CG1 4.49Å; F153-I158 HydrophobicContact CE2-CD1 3.98Å; F153-I158 HydrophobicContact CZ-CD1 3.19Å; P154-I158 HydrophobicContact CG-CD1 3.96Å; P154-I158 HydrophobicContact CG-CG1 4.42Å; P154-I158 PolarHBondContact O-N 3.38Å; P154-I158 VanDerWaalsContact O-N 3.07Å; I158-A160 VanDerWaalsContact C-N 3.32Å; I158-A160 PolarHBondContact O-N 2.84Å; I158-V161 PolarHBondContact O-N 2.94Å; I158-V162 HydrophobicContact CG2-CG2 4.34Å; I158-V162 WeakPolarHBondContact O-CB 3.3Å; I158-V162 VanDerWaalsContact O-CG2 3.29Å; I158-V162 WeakPolarHBondContact O-CG2 3.46Å; I158-V162 PolarHBondContact O-N 3.46Å; I158-V192 HydrophobicContact CG2-CG2 4.13Å; I158-F195 HydrophobicContact CB-CE2 4.18Å; I158-F195 HydrophobicContact CG2-CD2 4.08Å; I158-F195 HydrophobicContact CG2-CE2 3.85Å |
| 159 | Q | 87.3 | Confident | 76.5 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 173.6 | -176.7 | 179 | 3.2 | 0 | 0 | 111.5 | R155 E156 L157 V162 H163 F195 | R155-Q159 WeakPolarHBondContact O-CB 3.39Å; R155-Q159 PolarHBondContact O-N 2.98Å; E156-Q159 PolarHBondContact O-N 3.39Å; L157-Q159 VanDerWaalsContact C-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.39Å; Q159-V162 PolarHBondContact O-N 3.38Å; Q159-H163 WeakPolarHBondContact O-CB 3.4Å; Q159-H163 PolarHBondContact O-N 3.49Å; Q159-F195 HydrophobicContact CB-CD1 3.99Å; Q159-F195 HydrophobicContact CB-CD2 4.16Å; Q159-F195 HydrophobicContact CB-CE1 3.99Å; Q159-F195 HydrophobicContact CB-CE2 4.15Å; Q159-F195 HydrophobicContact CB-CG 4.09Å; Q159-F195 HydrophobicContact CB-CZ 4.08Å; Q159-F195 HydrophobicContact CG-CD1 3.97Å; Q159-F195 HydrophobicContact CG-CE1 4.32Å; Q159-F195 HydrophobicContact CG-CG 4.22Å |
| 160 | A | 86.3 | Confident | 78.3 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 24% | 0.24 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L112 E156 L157 I158 V162 H163 N164 | L112-A160 HydrophobicContact CD1-CB 3.82Å; L112-A160 HydrophobicContact CD2-CB 4.19Å; E156-A160 WeakPolarHBondContact O-CB 3.34Å; E156-A160 PolarHBondContact O-N 2.83Å; L157-A160 WeakPolarHBondContact O-CB 3.24Å; L157-A160 PolarHBondContact O-N 3.17Å; I158-A160 VanDerWaalsContact C-N 3.32Å; I158-A160 PolarHBondContact O-N 2.84Å; A160-V162 PolarHBondContact O-N 2.9Å; A160-H163 PolarHBondContact O-N 3.44Å; A160-N164 PolarHBondContact O-N 3.01Å; A160-N164 PolarHBondContact O-ND2 2.74Å |
| 161 | V | 87.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.6 | -51.2 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L112 L127 L130 L157 I158 H163 N164 I165 F179 | L112-V161 HydrophobicContact CD2-CG2 4.09Å; L127-V161 HydrophobicContact CD1-CG1 3.66Å; L130-V161 HydrophobicContact CB-CG2 4Å; L130-V161 HydrophobicContact CD1-CG2 4.06Å; L130-V161 HydrophobicContact CG-CG2 4.5Å; L157-V161 WeakPolarHBondContact O-CG2 3.23Å; L157-V161 PolarHBondContact O-N 2.71Å; I158-V161 PolarHBondContact O-N 2.94Å; V161-H163 VanDerWaalsContact C-N 3.29Å; V161-H163 PolarHBondContact O-N 3.04Å; V161-N164 PolarHBondContact O-N 2.66Å; V161-I165 HydrophobicContact CG1-CD1 3.65Å; V161-I165 HydrophobicContact CG1-CG1 4.32Å; V161-I165 VanDerWaalsContact O-CG1 3.32Å; V161-I165 WeakPolarHBondContact O-CG1 3.45Å; V161-I165 PolarHBondContact O-N 3.28Å; V161-F179 HydrophobicContact CG1-CE2 4.23Å |
| 162 | V | 87.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | I158 Q159 A160 N164 I165 L166 V192 F195 I196 | I158-V162 HydrophobicContact CG2-CG2 4.34Å; I158-V162 WeakPolarHBondContact O-CB 3.3Å; I158-V162 VanDerWaalsContact O-CG2 3.29Å; I158-V162 WeakPolarHBondContact O-CG2 3.46Å; I158-V162 PolarHBondContact O-N 3.46Å; Q159-V162 PolarHBondContact O-N 3.38Å; A160-V162 PolarHBondContact O-N 2.9Å; V162-N164 PolarHBondContact O-N 3.14Å; V162-I165 PolarHBondContact O-N 3.31Å; V162-L166 HydrophobicContact CG1-CD1 3.77Å; V162-L166 HydrophobicContact CG1-CG 4.27Å; V162-L166 WeakPolarHBondContact O-CB 3.39Å; V162-L166 VanDerWaalsContact O-CG 3.24Å; V162-L166 WeakPolarHBondContact O-CG 3.47Å; V162-L166 PolarHBondContact O-N 2.95Å; V162-V192 HydrophobicContact CG2-CG1 4.21Å; V162-V192 HydrophobicContact CG2-CG2 3.92Å; V162-F195 HydrophobicContact CG1-CB 4.34Å; V162-I196 HydrophobicContact CG1-CG1 4.31Å |
| 163 | H | 87.7 | Confident | 82.4 | Confident | 101 Ų | 101 | 47.2 Ų | 47.2 | 47% | 0.468 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.3 | -173.4 | 74.1 | 0 | 0 | 0 | 112.9 | Q159 A160 V161 L166 N199 | Q159-H163 WeakPolarHBondContact O-CB 3.4Å; Q159-H163 PolarHBondContact O-N 3.49Å; A160-H163 PolarHBondContact O-N 3.44Å; V161-H163 VanDerWaalsContact C-N 3.29Å; V161-H163 PolarHBondContact O-N 3.04Å; H163-L166 CarbonylContact O-C 3.24Å; H163-L166 PolarHBondContact O-N 3.47Å; H163-N199 PolarHBondContact ND1-ND2 2.97Å |
| 164 | N | 85.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 17% | 0.166 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.6 | -33.8 | 179.7 | -71.5 | -75.9 | 0 | 0 | 0 | 112.3 | L115 H116 A160 V161 V162 L166 | L115-N164 HydrophobicContact CB-CB 4.36Å; L115-N164 HydrophobicContact CD1-CB 3.75Å; H116-N164 PolarHBondContact CE1-OD1 3.38Å; A160-N164 PolarHBondContact O-N 3.01Å; A160-N164 PolarHBondContact O-ND2 2.74Å; V161-N164 PolarHBondContact O-N 2.66Å; V162-N164 PolarHBondContact O-N 3.14Å; N164-L166 VanDerWaalsContact C-N 3.32Å |
| 165 | I | 86.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 171.6 | -67.8 | 170.7 | 0 | 0 | 0 | 110.1 | L127 V161 V162 S167 N172 L175 I176 F179 | L127-I165 HydrophobicContact CD1-CD1 4.03Å; V161-I165 HydrophobicContact CG1-CD1 3.65Å; V161-I165 HydrophobicContact CG1-CG1 4.32Å; V161-I165 VanDerWaalsContact O-CG1 3.32Å; V161-I165 WeakPolarHBondContact O-CG1 3.45Å; V161-I165 PolarHBondContact O-N 3.28Å; V162-I165 PolarHBondContact O-N 3.31Å; I165-S167 PolarHBondContact O-N 3.39Å; I165-N172 PolarHBondContact O-ND2 3.32Å; I165-L175 HydrophobicContact CG1-CD2 4.04Å; I165-I176 HydrophobicContact CG2-CD1 4.25Å; I165-I176 HydrophobicContact CG2-CG1 3.54Å; I165-F179 HydrophobicContact CD1-CB 4.43Å; I165-F179 HydrophobicContact CD1-CD1 4.36Å; I165-F179 HydrophobicContact CD1-CD2 3.9Å; I165-F179 HydrophobicContact CD1-CE2 4.2Å; I165-F179 HydrophobicContact CD1-CG 3.97Å |
| 166 | L | 84.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 49.9 | 176.9 | -61.3 | 179.8 | 0 | 0 | 0 | 112.3 | V162 H163 N164 I196 Y215 N218 V219 L222 | V162-L166 HydrophobicContact CG1-CD1 3.77Å; V162-L166 HydrophobicContact CG1-CG 4.27Å; V162-L166 WeakPolarHBondContact O-CB 3.39Å; V162-L166 VanDerWaalsContact O-CG 3.24Å; V162-L166 WeakPolarHBondContact O-CG 3.47Å; V162-L166 PolarHBondContact O-N 2.95Å; H163-L166 CarbonylContact O-C 3.24Å; H163-L166 PolarHBondContact O-N 3.47Å; N164-L166 VanDerWaalsContact C-N 3.32Å; L166-I196 HydrophobicContact CD1-CG1 4.3Å; L166-Y215 HydrophobicContact CB-CE2 3.97Å; L166-Y215 VanDerWaalsContact O-CD2 3.29Å; L166-Y215 WeakPolarHBondContact O-CD2 3.48Å; L166-Y215 VanDerWaalsContact O-CE2 3.31Å; L166-Y215 WeakPolarHBondContact O-CE2 3.05Å; L166-N218 HydrophobicContact CD2-CB 4.37Å; L166-V219 HydrophobicContact CD1-CG2 4.18Å; L166-V219 HydrophobicContact CD2-CB 4.35Å; L166-V219 HydrophobicContact CD2-CG2 3.73Å; L166-V219 HydrophobicContact CG-CG2 4.41Å; L166-L222 HydrophobicContact CD1-CD2 4.42Å; L166-L222 HydrophobicContact CD2-CB 4.43Å; L166-L222 HydrophobicContact CD2-CD2 3.8Å; L166-L222 HydrophobicContact CG-CD2 4.25Å |
| 167 | S | 81.8 | Confident | 84 | Confident | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | trans | -67.2 | 154 | 178.2 | 87.2 | 0 | 0 | 0 | 0 | 111.8 | I165 L170 N172 N218 | I165-S167 PolarHBondContact O-N 3.39Å; S167-L170 PolarHBondContact OG-N 3Å; S167-L170 VanDerWaalsContact OG-N 3.15Å; S167-L170 PolarHBondContact OG-O 3.12Å; S167-N172 PolarHBondContact OG-ND2 3.4Å; S167-N218 PolarHBondContact O-ND2 3Å; S167-N218 VanDerWaalsContact O-ND2 3.17Å | ||
| 168 | Q | 79.3 | Confident | 84.1 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -87.7 | -20.4 | 178.8 | -63.8 | 178 | 25.5 | 0 | 0 | 113.4 | Y215 | Q168-Y215 HydrophobicContact CG-CD2 4.13Å; Q168-Y215 HydrophobicContact CG-CG 4.46Å |
| 169 | S | 74.4 | Confident | 84.1 | Confident | 93 Ų | 93 | 45.2 Ų | 45.2 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -108.6 | -30.7 | -169.6 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 170 | L | 80 | Confident | 84.1 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -111.4 | 136.4 | -173.4 | -60.5 | 173.6 | 0 | 0 | 0 | 111 | H116 S167 N172 N218 | H116-L170 HydrophobicContact CB-CD1 4.22Å; S167-L170 PolarHBondContact OG-N 3Å; S167-L170 VanDerWaalsContact OG-N 3.15Å; S167-L170 PolarHBondContact OG-O 3.12Å; L170-N172 PolarHBondContact O-N 2.96Å; L170-N218 PolarHBondContact O-ND2 2.87Å |
| 171 | D | 80.6 | Confident | 84.1 | Confident | 103 Ų | 103 | 46.7 Ų | 46.7 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | trans | -73.5 | 117.5 | 166.1 | -177.1 | -3 | 0 | 0 | 0 | 108.8 | S173 | D171-S173 VanDerWaalsContact OD1-CB 3.25Å; D171-S173 WeakPolarHBondContact OD1-CB 3.16Å; D171-S173 PolarHBondContact OD1-N 2.85Å; D171-S173 PolarHBondContact OD1-OG 3.34Å | ||
| 172 | N | 81.7 | Confident | 83.9 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -111.3 | 22.8 | -177.6 | -76.4 | -30.4 | 0 | 0 | 0 | 111.8 | K123 I165 S167 L170 L174 L175 I176 N218 | K123-N172 PolarHBondContact NZ-OD1 2.93Å; I165-N172 PolarHBondContact O-ND2 3.32Å; S167-N172 PolarHBondContact OG-ND2 3.4Å; L170-N172 PolarHBondContact O-N 2.96Å; N172-L174 VanDerWaalsContact C-N 3.31Å; N172-L174 PolarHBondContact O-N 3.34Å; N172-L175 HydrophobicContact CB-CB 4.34Å; N172-L175 WeakPolarHBondContact O-CB 3.22Å; N172-L175 PolarHBondContact O-N 3.34Å; N172-L175 VanDerWaalsContact O-N 3.07Å; N172-I176 HydrophobicContact CB-CD1 4.49Å; N172-I176 VanDerWaalsContact O-CG1 3.27Å; N172-I176 WeakPolarHBondContact O-CG1 3.15Å; N172-I176 PolarHBondContact O-N 3.49Å; N172-N218 PolarHBondContact N-OD1 3.01Å; N172-N218 VanDerWaalsContact N-OD1 3.11Å | ||
| 173 | S | 82.6 | Confident | 83.7 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -50.2 | -43.7 | -179.4 | 48.8 | 0 | 0 | 0 | 0 | 114.5 | D171 I176 S177 | D171-S173 VanDerWaalsContact OD1-CB 3.25Å; D171-S173 WeakPolarHBondContact OD1-CB 3.16Å; D171-S173 PolarHBondContact OD1-N 2.85Å; D171-S173 PolarHBondContact OD1-OG 3.34Å; S173-I176 PolarHBondContact O-N 3.45Å; S173-S177 PolarHBondContact O-N 2.88Å |
| 174 | L | 85 | Confident | 83.5 | Confident | 116 Ų | 116 | 49.5 Ų | 49.5 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 177.1 | -63.1 | 176.1 | 0 | 0 | 0 | 112.5 | H120 N172 I176 S177 R178 | H120-L174 WeakPolarHBondContact NE2-CB 3.3Å; N172-L174 VanDerWaalsContact C-N 3.31Å; N172-L174 PolarHBondContact O-N 3.34Å; L174-I176 VanDerWaalsContact C-N 3.3Å; L174-I176 PolarHBondContact O-N 2.83Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 3.48Å; L174-S177 VanDerWaalsContact O-N 3.14Å; L174-R178 PolarHBondContact O-N 2.91Å |
| 175 | L | 84.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.4 | -171.1 | 67.8 | 0 | 0 | 0 | 111.1 | L115 K123 L127 I165 N172 S177 R178 F179 | L115-L175 HydrophobicContact CD2-CD2 4.32Å; K123-L175 HydrophobicContact CB-CD1 4.05Å; L127-L175 HydrophobicContact CB-CD1 4.03Å; L127-L175 HydrophobicContact CD2-CD1 3.55Å; L127-L175 HydrophobicContact CD2-CG 4Å; L127-L175 HydrophobicContact CG-CD1 4.37Å; I165-L175 HydrophobicContact CG1-CD2 4.04Å; N172-L175 HydrophobicContact CB-CB 4.34Å; N172-L175 WeakPolarHBondContact O-CB 3.22Å; N172-L175 PolarHBondContact O-N 3.34Å; N172-L175 VanDerWaalsContact O-N 3.07Å; L175-S177 VanDerWaalsContact C-N 3.32Å; L175-R178 PolarHBondContact O-N 2.84Å; L175-F179 WeakPolarHBondContact O-CB 3.36Å; L175-F179 PolarHBondContact O-N 2.82Å |
| 176 | I | 86.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 174.4 | -67.7 | 163.6 | 0 | 0 | 0 | 110.9 | I165 N172 S173 L174 F179 Q180 N218 T221 L222 | I165-I176 HydrophobicContact CG2-CD1 4.25Å; I165-I176 HydrophobicContact CG2-CG1 3.54Å; N172-I176 HydrophobicContact CB-CD1 4.49Å; N172-I176 VanDerWaalsContact O-CG1 3.27Å; N172-I176 WeakPolarHBondContact O-CG1 3.15Å; N172-I176 PolarHBondContact O-N 3.49Å; S173-I176 PolarHBondContact O-N 3.45Å; L174-I176 VanDerWaalsContact C-N 3.3Å; L174-I176 PolarHBondContact O-N 2.83Å; I176-F179 PolarHBondContact O-N 2.72Å; I176-Q180 PolarHBondContact O-N 3.07Å; I176-N218 HydrophobicContact CD1-CB 4.19Å; I176-N218 WeakPolarHBondContact CD1-O 3.27Å; I176-T221 HydrophobicContact CB-CG2 4.47Å; I176-T221 HydrophobicContact CD1-CG2 4.46Å; I176-T221 HydrophobicContact CG2-CG2 3.95Å; I176-L222 HydrophobicContact CD1-CB 4.47Å; I176-L222 HydrophobicContact CG2-CB 4.1Å; I176-L222 HydrophobicContact CG2-CD1 3.89Å |
| 177 | S | 86.2 | Confident | 83 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 47% | 0.469 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 173.6 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | S173 L174 L175 F179 Q180 | S173-S177 PolarHBondContact O-N 2.88Å; L174-S177 WeakPolarHBondContact O-CB 3.4Å; L174-S177 PolarHBondContact O-N 3.48Å; L174-S177 VanDerWaalsContact O-N 3.14Å; L175-S177 VanDerWaalsContact C-N 3.32Å; S177-F179 VanDerWaalsContact C-N 3.34Å; S177-Q180 WeakPolarHBondContact O-CB 3.15Å; S177-Q180 PolarHBondContact O-N 3.5Å |
| 178 | R | 85.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 49.1 Ų | 49.1 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 173.2 | -166.9 | 72.4 | 179.4 | 130.3 | 29.1 | 111.6 | E124 L174 L175 Q180 E181 | E124-R178 HydrophobicContact CG-CG 4.17Å; E124-R178 VanDerWaalsContact OE1-CD 3.32Å; E124-R178 WeakPolarHBondContact OE1-CD 3.29Å; E124-R178 IonicContact OE1-CZ 3.99Å; E124-R178 IonicContact OE1-NE 3.13Å; E124-R178 PolarHBondContact OE1-NE 3.04Å; L174-R178 PolarHBondContact O-N 2.91Å; L175-R178 PolarHBondContact O-N 2.84Å; R178-Q180 PolarHBondContact O-N 3.32Å; R178-E181 IonicContact CZ-OE1 3.28Å; R178-E181 IonicContact CZ-OE2 3.6Å; R178-E181 IonicContact NH1-OE1 2.66Å; R178-E181 PolarHBondContact NH1-OE1 3.34Å; R178-E181 IonicContact NH1-OE2 3.54Å; R178-E181 PolarHBondContact NH1-OE2 3.47Å; R178-E181 IonicContact NH2-OE1 3.18Å; R178-E181 IonicContact NH2-OE2 2.62Å; R178-E181 PolarHBondContact NH2-OE2 2.86Å; R178-E181 PolarHBondContact O-N 3.22Å |
| 179 | F | 87.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -21.3 | 177.9 | -168.2 | -109.5 | 0 | 0 | 0 | 113.3 | L127 M131 V161 I165 L175 I176 S177 E181 F182 L183 I188 V192 L222 | L127-F179 HydrophobicContact CD1-CD2 4Å; L127-F179 HydrophobicContact CD1-CE2 4.46Å; L127-F179 HydrophobicContact CD2-CB 4.18Å; L127-F179 HydrophobicContact CD2-CD2 4.2Å; M131-F179 HydrophobicContact CE-CE2 4.11Å; M131-F179 HydrophobicContact SD-CE2 3.8Å; V161-F179 HydrophobicContact CG1-CE2 4.23Å; I165-F179 HydrophobicContact CD1-CB 4.43Å; I165-F179 HydrophobicContact CD1-CD1 4.36Å; I165-F179 HydrophobicContact CD1-CD2 3.9Å; I165-F179 HydrophobicContact CD1-CE2 4.2Å; I165-F179 HydrophobicContact CD1-CG 3.97Å; L175-F179 WeakPolarHBondContact O-CB 3.36Å; L175-F179 PolarHBondContact O-N 2.82Å; I176-F179 PolarHBondContact O-N 2.72Å; S177-F179 VanDerWaalsContact C-N 3.34Å; F179-E181 VanDerWaalsContact C-N 3.25Å; F179-E181 PolarHBondContact O-N 2.88Å; F179-F182 HydrophobicContact CD2-CB 4.47Å; F179-F182 AromaticContact CD2-CD2 3.88Å; F179-F182 HydrophobicContact CD2-CD2 3.88Å; F179-F182 HydrophobicContact CE2-CB 4.44Å; F179-F182 HydrophobicContact CE2-CD2 4.4Å; F179-F182 PolarHBondContact O-N 2.91Å; F179-L183 HydrophobicContact CD1-CD1 4.19Å; F179-L183 HydrophobicContact CD1-CD2 4.12Å; F179-L183 HydrophobicContact CD1-CG 3.92Å; F179-L183 HydrophobicContact CE1-CD2 3.68Å; F179-L183 HydrophobicContact CE1-CG 4Å; F179-L183 PolarHBondContact O-N 3.27Å; F179-I188 HydrophobicContact CZ-CG2 4.46Å; F179-V192 HydrophobicContact CE1-CG1 4.47Å; F179-V192 HydrophobicContact CE1-CG2 4.11Å; F179-V192 HydrophobicContact CZ-CG2 4.08Å; F179-L222 HydrophobicContact CD1-CD1 3.89Å; F179-L222 HydrophobicContact CE1-CD1 4.34Å |
| 180 | Q | 86.1 | Confident | 84.1 | Confident | 59 Ų | 59 | 41.7 Ų | 41.7 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57 | -36.3 | 176.9 | -172.9 | 178.9 | -12.6 | 0 | 0 | 112.8 | I176 S177 R178 F182 L183 E184 N225 | I176-Q180 PolarHBondContact O-N 3.07Å; S177-Q180 WeakPolarHBondContact O-CB 3.15Å; S177-Q180 PolarHBondContact O-N 3.5Å; R178-Q180 PolarHBondContact O-N 3.32Å; Q180-F182 PolarHBondContact O-N 2.86Å; Q180-L183 WeakPolarHBondContact O-CB 3.23Å; Q180-L183 PolarHBondContact O-N 3.34Å; Q180-E184 PolarHBondContact O-N 2.88Å; Q180-N225 HydrophobicContact CG-CB 4.22Å |
| 181 | E | 85.9 | Confident | 84.4 | Confident | 95 Ų | 95 | 39.4 Ų | 39.4 | 44% | 0.444 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58 | -34 | 175.8 | -64.2 | -177.4 | 175.2 | 0 | 0 | 111.6 | R178 F179 | R178-E181 IonicContact CZ-OE1 3.28Å; R178-E181 IonicContact CZ-OE2 3.6Å; R178-E181 IonicContact NH1-OE1 2.66Å; R178-E181 PolarHBondContact NH1-OE1 3.34Å; R178-E181 IonicContact NH1-OE2 3.54Å; R178-E181 PolarHBondContact NH1-OE2 3.47Å; R178-E181 IonicContact NH2-OE1 3.18Å; R178-E181 IonicContact NH2-OE2 2.62Å; R178-E181 PolarHBondContact NH2-OE2 2.86Å; R178-E181 PolarHBondContact O-N 3.22Å; F179-E181 VanDerWaalsContact C-N 3.25Å; F179-E181 PolarHBondContact O-N 2.88Å |
| 182 | F | 83.8 | Confident | 84.7 | Confident | 36 Ų | 36 | 34.5 Ų | 34.5 | 16% | 0.158 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -82.4 | -21.9 | 176.8 | -52.8 | -69 | 0 | 0 | 0 | 112.9 | M131 F179 Q180 E184 M185 I188 | M131-F182 HydrophobicContact CB-CD1 4.11Å; M131-F182 HydrophobicContact CB-CD2 4.49Å; M131-F182 HydrophobicContact CB-CE1 3.76Å; M131-F182 HydrophobicContact CB-CE2 4.2Å; M131-F182 HydrophobicContact CB-CG 4.47Å; M131-F182 HydrophobicContact CB-CZ 3.82Å; M131-F182 HydrophobicContact CE-CB 3.87Å; M131-F182 HydrophobicContact CE-CD1 4.18Å; M131-F182 HydrophobicContact CE-CD2 4.44Å; M131-F182 HydrophobicContact CE-CG 3.92Å; M131-F182 HydrophobicContact CG-CD1 4.21Å; M131-F182 HydrophobicContact CG-CD2 3.82Å; M131-F182 HydrophobicContact CG-CE1 4.14Å; M131-F182 HydrophobicContact CG-CE2 3.76Å; M131-F182 HydrophobicContact CG-CG 4.06Å; M131-F182 HydrophobicContact CG-CZ 3.93Å; F179-F182 HydrophobicContact CD2-CB 4.47Å; F179-F182 AromaticContact CD2-CD2 3.88Å; F179-F182 HydrophobicContact CD2-CD2 3.88Å; F179-F182 HydrophobicContact CE2-CB 4.44Å; F179-F182 HydrophobicContact CE2-CD2 4.4Å; F179-F182 PolarHBondContact O-N 2.91Å; Q180-F182 PolarHBondContact O-N 2.86Å; F182-E184 PolarHBondContact O-N 3.11Å; F182-M185 HydrophobicContact CB-CE 3.9Å; F182-M185 HydrophobicContact CD1-CE 3.73Å; F182-M185 HydrophobicContact CG-CE 4.31Å; F182-M185 PolarHBondContact O-N 2.99Å; F182-I188 HydrophobicContact CB-CD1 4.35Å |
| 183 | L | 82.7 | Confident | 85 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73 | -14.1 | 174.1 | -67.6 | 177.3 | 0 | 0 | 0 | 112.9 | F179 Q180 M185 V192 L222 N225 I226 | F179-L183 HydrophobicContact CD1-CD1 4.19Å; F179-L183 HydrophobicContact CD1-CD2 4.12Å; F179-L183 HydrophobicContact CD1-CG 3.92Å; F179-L183 HydrophobicContact CE1-CD2 3.68Å; F179-L183 HydrophobicContact CE1-CG 4Å; F179-L183 PolarHBondContact O-N 3.27Å; Q180-L183 WeakPolarHBondContact O-CB 3.23Å; Q180-L183 PolarHBondContact O-N 3.34Å; L183-M185 PolarHBondContact O-N 3.31Å; L183-V192 HydrophobicContact CD2-CB 4.18Å; L183-V192 HydrophobicContact CD2-CG1 4Å; L183-V192 HydrophobicContact CD2-CG2 4.18Å; L183-L222 HydrophobicContact CD1-CD1 3.95Å; L183-N225 HydrophobicContact CD1-CB 4.35Å; L183-I226 HydrophobicContact CD1-CG1 4.15Å |
| 184 | E | 83.4 | Confident | 85.3 | Confident | 121 Ų | 121 | 33.1 Ų | 33.1 | 57% | 0.565 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.7 | 169.1 | -62.9 | -173.3 | 170.9 | 0 | 0 | 112.4 | Q180 F182 | Q180-E184 PolarHBondContact O-N 2.88Å; F182-E184 PolarHBondContact O-N 3.11Å |
| 185 | M | 83.3 | Confident | 85.4 | Confident | 29 Ų | 29 | 28.4 Ų | 28.4 | 14% | 0.143 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -80.7 | 128.2 | 173.2 | -69 | 178.7 | -84.1 | 0 | 0 | 111 | F182 L183 D187 I188 R189 N237 M239 | F182-M185 HydrophobicContact CB-CE 3.9Å; F182-M185 HydrophobicContact CD1-CE 3.73Å; F182-M185 HydrophobicContact CG-CE 4.31Å; F182-M185 PolarHBondContact O-N 2.99Å; L183-M185 PolarHBondContact O-N 3.31Å; M185-D187 PolarHBondContact O-N 3.3Å; M185-I188 HydrophobicContact CB-CB 4.24Å; M185-I188 HydrophobicContact CB-CD1 4.05Å; M185-I188 HydrophobicContact CB-CG1 4Å; M185-I188 HydrophobicContact CE-CD1 3.24Å; M185-I188 HydrophobicContact CE-CG1 4.41Å; M185-I188 PolarHBondContact O-N 3.01Å; M185-I188 HydrophobicContact SD-CD1 3.86Å; M185-R189 WeakPolarHBondContact O-CB 3.07Å; M185-R189 PolarHBondContact O-N 2.95Å; M185-N237 CarbonylContact C-O 3.54Å; M185-N237 VanDerWaalsContact CA-O 3.27Å; M185-N237 WeakPolarHBondContact CA-O 3.35Å; M185-M239 HydrophobicContact SD-CB 3.55Å; M185-M239 VanDerWaalsContact SD-CB 3.55Å; M185-M239 HydrophobicContact SD-CG 3.81Å |
| 186 | D | 80.7 | Confident | 85.6 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | -169.4 | -62.7 | -50 | 0 | 0 | 0 | 112.4 | R189 Y190 L235 T236 N237 F238 H257 | D186-R189 PolarHBondContact O-N 3.4Å; D186-R189 IonicContact OD1-CZ 2.66Å; D186-R189 IonicContact OD1-NH1 3.51Å; D186-R189 IonicContact OD1-NH2 3.83Å; D186-R189 PolarHBondContact OD1-NH2 2.94Å; D186-Y190 PolarHBondContact O-N 3.35Å; D186-L235 HydrophobicContact CB-CD2 4Å; D186-L235 WeakPolarHBondContact OD1-CD2 3.29Å; D186-L235 VanDerWaalsContact OD2-CA 3.26Å; D186-L235 WeakPolarHBondContact OD2-CA 3.44Å; D186-T236 PolarHBondContact OD2-N 2.9Å; D186-N237 PolarHBondContact N-O 3.44Å; D186-N237 PolarHBondContact OD2-N 2.98Å; D186-F238 HydrophobicContact CB-CD1 3.91Å; D186-F238 HydrophobicContact CB-CE1 3.65Å; D186-F238 HydrophobicContact CB-CZ 4.25Å; D186-H257 PolarHBondContact O-CE1 3.19Å |
| 187 | D | 82.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 177.4 | 50.5 | -4.7 | 0 | 0 | 0 | 111.9 | F153 M185 R189 Y190 Y191 F238 M239 V240 W249 | F153-D187 HydrophobicContact CE2-CB 4.11Å; M185-D187 PolarHBondContact O-N 3.3Å; D187-R189 VanDerWaalsContact C-N 3.34Å; D187-R189 PolarHBondContact O-N 2.9Å; D187-Y190 PolarHBondContact O-N 3.32Å; D187-Y191 WeakPolarHBondContact O-CD2 3.23Å; D187-Y191 PolarHBondContact O-N 3.33Å; D187-Y191 VanDerWaalsContact O-N 3.09Å; D187-F238 HydrophobicContact CB-CD1 4.26Å; D187-M239 WeakPolarHBondContact OD1-CB 3.03Å; D187-M239 PolarHBondContact OD1-N 3.35Å; D187-M239 VanDerWaalsContact OD2-CB 3.23Å; D187-M239 WeakPolarHBondContact OD2-CB 3.42Å; D187-M239 PolarHBondContact OD2-N 3.13Å; D187-V240 PolarHBondContact OD2-N 3.23Å; D187-W249 HydrophobicContact CB-CZ2 4.24Å |
| 188 | I | 84.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 176.3 | -57.2 | -172 | 0 | 0 | 0 | 110.1 | M131 F153 F179 F182 M185 Y190 Y191 V192 M239 | M131-I188 HydrophobicContact CE-CD1 3.64Å; F153-I188 HydrophobicContact CE2-CG1 4.46Å; F153-I188 HydrophobicContact CZ-CG1 4.39Å; F179-I188 HydrophobicContact CZ-CG2 4.46Å; F182-I188 HydrophobicContact CB-CD1 4.35Å; M185-I188 HydrophobicContact CB-CB 4.24Å; M185-I188 HydrophobicContact CB-CD1 4.05Å; M185-I188 HydrophobicContact CB-CG1 4Å; M185-I188 HydrophobicContact CE-CD1 3.24Å; M185-I188 HydrophobicContact CE-CG1 4.41Å; M185-I188 PolarHBondContact O-N 3.01Å; M185-I188 HydrophobicContact SD-CD1 3.86Å; I188-Y190 VanDerWaalsContact C-N 3.35Å; I188-Y190 PolarHBondContact O-N 3.02Å; I188-Y191 PolarHBondContact O-N 3.21Å; I188-V192 HydrophobicContact CG2-CG2 3.75Å; I188-V192 VanDerWaalsContact O-CB 3.28Å; I188-V192 WeakPolarHBondContact O-CB 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 2.96Å; I188-M239 HydrophobicContact CD1-CB 4.24Å; I188-M239 HydrophobicContact CD1-CE 3.8Å; I188-M239 HydrophobicContact CD1-CG 4.22Å; I188-M239 HydrophobicContact CD1-SD 3.51Å; I188-M239 VanDerWaalsContact CD1-SD 3.51Å; I188-M239 HydrophobicContact CG1-CB 4.22Å; I188-M239 HydrophobicContact CG1-SD 3.87Å |
| 189 | R | 85.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 5% | 0.045 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.8 | -49.8 | 178.1 | -178.4 | 180 | 64.8 | -146.6 | -18.1 | 112 | M185 D186 D187 Y191 V192 M193 I226 N227 H257 | M185-R189 WeakPolarHBondContact O-CB 3.07Å; M185-R189 PolarHBondContact O-N 2.95Å; D186-R189 PolarHBondContact O-N 3.4Å; D186-R189 IonicContact OD1-CZ 2.66Å; D186-R189 IonicContact OD1-NH1 3.51Å; D186-R189 IonicContact OD1-NH2 3.83Å; D186-R189 PolarHBondContact OD1-NH2 2.94Å; D187-R189 VanDerWaalsContact C-N 3.34Å; D187-R189 PolarHBondContact O-N 2.9Å; R189-Y191 PolarHBondContact O-N 2.87Å; R189-V192 PolarHBondContact O-N 2.96Å; R189-M193 HydrophobicContact CG-CE 3.41Å; R189-M193 VanDerWaalsContact CG-CE 3.41Å; R189-M193 WeakPolarHBondContact O-CG 3.5Å; R189-M193 PolarHBondContact O-N 2.88Å; R189-I226 HydrophobicContact CG-CG2 3.96Å; R189-N227 WeakPolarHBondContact CD-O 3.22Å; R189-N227 PolarHBondContact NH1-O 3.45Å; R189-H257 PolarHBondContact NE-ND1 3.45Å; R189-H257 PolarHBondContact NH2-CE1 3.12Å |
| 190 | Y | 86.5 | Confident | 85.9 | Confident | 37 Ų | 37 | 29 Ų | 29 | 15% | 0.145 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 179.5 | 176 | -98.7 | 0 | 0 | 0 | 112.4 | D186 D187 I188 M193 S194 K250 A251 D256 A260 | D186-Y190 PolarHBondContact O-N 3.35Å; D187-Y190 PolarHBondContact O-N 3.32Å; I188-Y190 VanDerWaalsContact C-N 3.35Å; I188-Y190 PolarHBondContact O-N 3.02Å; Y190-M193 PolarHBondContact O-N 3.4Å; Y190-S194 PolarHBondContact O-N 3.07Å; Y190-K250 HydrophobicContact CE1-CB 4.4Å; Y190-A251 HydrophobicContact CD1-CB 3.64Å; Y190-A251 HydrophobicContact CE1-CB 4.34Å; Y190-A251 HydrophobicContact CG-CB 3.81Å; Y190-D256 HydrophobicContact CE2-CB 4.14Å; Y190-A260 HydrophobicContact CD2-CB 4.16Å; Y190-A260 HydrophobicContact CE2-CB 4.01Å |
| 191 | Y | 86.5 | Confident | 86 | Confident | 13 Ų | 13 | 27.8 Ų | 27.8 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -40.3 | -179.2 | -74.6 | -66 | 0 | 0 | 0 | 112.2 | F151 F153 R155 D187 I188 R189 M193 S194 F195 A251 | F151-Y191 HydrophobicContact CD1-CE2 4.24Å; F151-Y191 AromaticContact CD1-CZ 3.92Å; F151-Y191 WeakPolarHBondContact CD1-OH 3.47Å; F151-Y191 HydrophobicContact CE1-CD2 4.37Å; F151-Y191 AromaticContact CE1-CE2 3.21Å; F151-Y191 HydrophobicContact CE1-CE2 3.21Å; F151-Y191 AromaticContact CE1-CZ 3.32Å; F151-Y191 WeakPolarHBondContact CE1-OH 3.17Å; F151-Y191 AromaticContact CZ-CE2 3.69Å; F151-Y191 HydrophobicContact CZ-CE2 3.69Å; F153-Y191 AromaticContact CD1-CD2 3.64Å; F153-Y191 HydrophobicContact CD1-CD2 3.64Å; F153-Y191 AromaticContact CD1-CE2 3.93Å; F153-Y191 HydrophobicContact CD1-CE2 3.93Å; F153-Y191 HydrophobicContact CD1-CG 4.04Å; F153-Y191 HydrophobicContact CD2-CD2 4.23Å; F153-Y191 HydrophobicContact CD2-CE2 4.25Å; F153-Y191 HydrophobicContact CE1-CD1 4.46Å; F153-Y191 AromaticContact CE1-CD2 3.28Å; F153-Y191 HydrophobicContact CE1-CD2 3.28Å; F153-Y191 HydrophobicContact CE1-CE2 4.04Å; F153-Y191 AromaticContact CE1-CG 3.56Å; F153-Y191 HydrophobicContact CE1-CG 3.56Å; F153-Y191 AromaticContact CE2-CD2 3.94Å; F153-Y191 HydrophobicContact CE2-CD2 3.94Å; F153-Y191 HydrophobicContact CE2-CE2 4.37Å; F153-Y191 HydrophobicContact CG-CD2 4.09Å; F153-Y191 HydrophobicContact CG-CE2 4.03Å; F153-Y191 AromaticContact CZ-CD2 3.45Å; F153-Y191 HydrophobicContact CZ-CD2 3.45Å; F153-Y191 VanDerWaalsContact CZ-CD2 3.45Å; F153-Y191 HydrophobicContact CZ-CE2 4.26Å; F153-Y191 HydrophobicContact CZ-CG 4.07Å; R155-Y191 HydrophobicContact CG-CD1 4.45Å; R155-Y191 HydrophobicContact CG-CE1 4.46Å; R155-Y191 VanDerWaalsContact NE-CE1 3.3Å; R155-Y191 PolarHBondContact NH2-OH 3.1Å; D187-Y191 WeakPolarHBondContact O-CD2 3.23Å; D187-Y191 PolarHBondContact O-N 3.33Å; D187-Y191 VanDerWaalsContact O-N 3.09Å; I188-Y191 PolarHBondContact O-N 3.21Å; R189-Y191 PolarHBondContact O-N 2.87Å; Y191-M193 VanDerWaalsContact C-N 3.33Å; Y191-M193 PolarHBondContact O-N 3.44Å; Y191-S194 PolarHBondContact O-N 3.24Å; Y191-S194 PolarHBondContact O-OG 2.94Å; Y191-F195 HydrophobicContact CD1-CZ 4.43Å; Y191-F195 WeakPolarHBondContact O-CD2 3.46Å; Y191-F195 VanDerWaalsContact O-CG 3.23Å; Y191-F195 WeakPolarHBondContact O-CG 3.25Å; Y191-F195 PolarHBondContact O-N 3.33Å; Y191-A251 HydrophobicContact CE2-CB 4.31Å |
| 192 | V | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 175.9 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | I158 V162 F179 L183 I188 R189 S194 F195 I196 L222 | I158-V192 HydrophobicContact CG2-CG2 4.13Å; V162-V192 HydrophobicContact CG2-CG1 4.21Å; V162-V192 HydrophobicContact CG2-CG2 3.92Å; F179-V192 HydrophobicContact CE1-CG1 4.47Å; F179-V192 HydrophobicContact CE1-CG2 4.11Å; F179-V192 HydrophobicContact CZ-CG2 4.08Å; L183-V192 HydrophobicContact CD2-CB 4.18Å; L183-V192 HydrophobicContact CD2-CG1 4Å; L183-V192 HydrophobicContact CD2-CG2 4.18Å; I188-V192 HydrophobicContact CG2-CG2 3.75Å; I188-V192 VanDerWaalsContact O-CB 3.28Å; I188-V192 WeakPolarHBondContact O-CB 3.31Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 2.96Å; R189-V192 PolarHBondContact O-N 2.96Å; V192-S194 VanDerWaalsContact C-N 3.28Å; V192-S194 PolarHBondContact O-N 2.86Å; V192-F195 PolarHBondContact O-N 3.39Å; V192-F195 VanDerWaalsContact O-N 3.16Å; V192-I196 HydrophobicContact CG1-CD1 3.66Å; V192-I196 HydrophobicContact CG1-CG1 4.11Å; V192-I196 VanDerWaalsContact O-CG1 3.25Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 3.22Å; V192-L222 HydrophobicContact CG1-CD2 4.48Å |
| 193 | M | 87.8 | Confident | 86 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.7 | -42.9 | 174.3 | -69.8 | 172 | -166.5 | 0 | 0 | 112.4 | R189 Y190 Y191 R197 I226 M228 A260 F261 M264 | R189-M193 HydrophobicContact CG-CE 3.41Å; R189-M193 VanDerWaalsContact CG-CE 3.41Å; R189-M193 WeakPolarHBondContact O-CG 3.5Å; R189-M193 PolarHBondContact O-N 2.88Å; Y190-M193 PolarHBondContact O-N 3.4Å; Y191-M193 VanDerWaalsContact C-N 3.33Å; Y191-M193 PolarHBondContact O-N 3.44Å; M193-R197 PolarHBondContact O-N 2.77Å; M193-R197 VanDerWaalsContact O-N 3.15Å; M193-I226 HydrophobicContact CE-CG2 3.32Å; M193-I226 HydrophobicContact CG-CD1 4.12Å; M193-M228 HydrophobicContact CE-CE 4.46Å; M193-M228 HydrophobicContact CE-SD 3.25Å; M193-M228 WeakPolarHBondContact CE-SD 3.43Å; M193-M228 HydrophobicContact SD-SD 4.46Å; M193-A260 HydrophobicContact CB-CB 4.25Å; M193-A260 HydrophobicContact SD-CB 4.01Å; M193-F261 HydrophobicContact CE-CB 4.4Å; M193-F261 HydrophobicContact CE-CD2 4.17Å; M193-F261 HydrophobicContact SD-CB 4.02Å; M193-M264 HydrophobicContact CB-SD 4.03Å; M193-M264 HydrophobicContact CG-CE 4.38Å; M193-M264 HydrophobicContact CG-SD 3.89Å |
| 194 | S | 87.9 | Confident | 86.1 | Confident | 18 Ų | 18 | 25.1 Ų | 25.1 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -39 | 178.7 | 75.7 | 0 | 0 | 0 | 0 | 112.1 | Y190 Y191 V192 R197 D198 | Y190-S194 PolarHBondContact O-N 3.07Å; Y191-S194 PolarHBondContact O-N 3.24Å; Y191-S194 PolarHBondContact O-OG 2.94Å; V192-S194 VanDerWaalsContact C-N 3.28Å; V192-S194 PolarHBondContact O-N 2.86Å; S194-R197 WeakPolarHBondContact O-CB 3.15Å; S194-R197 PolarHBondContact O-N 3.25Å; S194-D198 VanDerWaalsContact O-CG 3.3Å; S194-D198 PolarHBondContact O-N 3.42Å; S194-D198 VanDerWaalsContact O-N 3.12Å |
| 195 | F | 87.7 | Confident | 86.1 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.8 | -38.7 | 177.6 | -59.9 | -37.6 | 0 | 0 | 0 | 112.4 | R155 I158 Q159 V162 Y191 V192 R197 D198 N199 | R155-F195 HydrophobicContact CB-CZ 3.91Å; R155-F195 HydrophobicContact CG-CZ 4.22Å; R155-F195 WeakPolarHBondContact O-CZ 3.48Å; I158-F195 HydrophobicContact CB-CE2 4.18Å; I158-F195 HydrophobicContact CG2-CD2 4.08Å; I158-F195 HydrophobicContact CG2-CE2 3.85Å; Q159-F195 HydrophobicContact CB-CD1 3.99Å; Q159-F195 HydrophobicContact CB-CD2 4.16Å; Q159-F195 HydrophobicContact CB-CE1 3.99Å; Q159-F195 HydrophobicContact CB-CE2 4.15Å; Q159-F195 HydrophobicContact CB-CG 4.09Å; Q159-F195 HydrophobicContact CB-CZ 4.08Å; Q159-F195 HydrophobicContact CG-CD1 3.97Å; Q159-F195 HydrophobicContact CG-CE1 4.32Å; Q159-F195 HydrophobicContact CG-CG 4.22Å; V162-F195 HydrophobicContact CG1-CB 4.34Å; Y191-F195 HydrophobicContact CD1-CZ 4.43Å; Y191-F195 WeakPolarHBondContact O-CD2 3.46Å; Y191-F195 VanDerWaalsContact O-CG 3.23Å; Y191-F195 WeakPolarHBondContact O-CG 3.25Å; Y191-F195 PolarHBondContact O-N 3.33Å; V192-F195 PolarHBondContact O-N 3.39Å; V192-F195 VanDerWaalsContact O-N 3.16Å; F195-R197 VanDerWaalsContact C-N 3.33Å; F195-R197 PolarHBondContact O-N 2.95Å; F195-D198 PolarHBondContact O-N 2.73Å; F195-N199 WeakPolarHBondContact O-CB 3.43Å; F195-N199 PolarHBondContact O-N 3.26Å |
| 196 | I | 88.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -49.2 | 173.5 | -69.3 | 165.8 | 0 | 0 | 0 | 109.4 | V162 L166 V192 D198 N199 V200 V219 L222 M223 I226 M264 | V162-I196 HydrophobicContact CG1-CG1 4.31Å; L166-I196 HydrophobicContact CD1-CG1 4.3Å; V192-I196 HydrophobicContact CG1-CD1 3.66Å; V192-I196 HydrophobicContact CG1-CG1 4.11Å; V192-I196 VanDerWaalsContact O-CG1 3.25Å; V192-I196 WeakPolarHBondContact O-CG1 3.33Å; V192-I196 PolarHBondContact O-N 3.22Å; I196-D198 PolarHBondContact O-N 3.16Å; I196-N199 PolarHBondContact O-N 3.45Å; I196-V200 HydrophobicContact CG2-CG2 4.12Å; I196-V200 WeakPolarHBondContact O-CB 3.42Å; I196-V200 WeakPolarHBondContact O-CG2 3.5Å; I196-V200 PolarHBondContact O-N 3.33Å; I196-V219 HydrophobicContact CG2-CG1 4.12Å; I196-L222 HydrophobicContact CD1-CD2 3.59Å; I196-L222 HydrophobicContact CD1-CG 3.94Å; I196-L222 HydrophobicContact CG1-CD2 3.88Å; I196-M223 HydrophobicContact CG2-CG 4.3Å; I196-M223 HydrophobicContact CG2-SD 4.33Å; I196-I226 HydrophobicContact CD1-CD1 4.01Å; I196-M264 HydrophobicContact CB-CG 4.21Å; I196-M264 HydrophobicContact CB-SD 4.24Å; I196-M264 HydrophobicContact CD1-SD 3.88Å; I196-M264 HydrophobicContact CG2-CG 3.87Å; I196-M264 HydrophobicContact CG2-SD 4.16Å |
| 197 | R | 89.8 | Confident | 86.2 | Confident | 77 Ų | 77 | 32.5 Ų | 32.5 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55 | -50.3 | 177.8 | 179.8 | -160.5 | 67.9 | -145.2 | -3 | 111.7 | M193 S194 F195 A201 | M193-R197 PolarHBondContact O-N 2.77Å; M193-R197 VanDerWaalsContact O-N 3.15Å; S194-R197 WeakPolarHBondContact O-CB 3.15Å; S194-R197 PolarHBondContact O-N 3.25Å; F195-R197 VanDerWaalsContact C-N 3.33Å; F195-R197 PolarHBondContact O-N 2.95Å; R197-A201 WeakPolarHBondContact O-CB 3.27Å; R197-A201 PolarHBondContact O-N 3.36Å |
| 198 | D | 88.3 | Confident | 86 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 34% | 0.342 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.6 | -35.7 | -175.6 | -64.3 | -16.6 | 0 | 0 | 0 | 111.8 | S194 F195 I196 T202 | S194-D198 VanDerWaalsContact O-CG 3.3Å; S194-D198 PolarHBondContact O-N 3.42Å; S194-D198 VanDerWaalsContact O-N 3.12Å; F195-D198 PolarHBondContact O-N 2.73Å; I196-D198 PolarHBondContact O-N 3.16Å; D198-T202 WeakPolarHBondContact O-CB 3.34Å; D198-T202 PolarHBondContact O-N 2.68Å; D198-T202 PolarHBondContact O-OG1 3.34Å |
| 199 | N | 86.9 | Confident | 85.5 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -49.8 | 175.2 | -171.9 | -50 | 0 | 0 | 0 | 111.1 | H163 F195 I196 A201 T202 V203 Y215 | H163-N199 PolarHBondContact ND1-ND2 2.97Å; F195-N199 WeakPolarHBondContact O-CB 3.43Å; F195-N199 PolarHBondContact O-N 3.26Å; I196-N199 PolarHBondContact O-N 3.45Å; N199-A201 VanDerWaalsContact C-N 3.32Å; N199-A201 PolarHBondContact O-N 3.44Å; N199-T202 PolarHBondContact O-N 2.98Å; N199-T202 VanDerWaalsContact O-N 3.08Å; N199-V203 WeakPolarHBondContact O-CB 3.38Å; N199-V203 WeakPolarHBondContact O-CG2 3.3Å; N199-V203 PolarHBondContact O-N 2.88Å; N199-V203 WeakPolarHBondContact OD1-CG2 2.89Å; N199-Y215 PolarHBondContact OD1-OH 3.2Å |
| 200 | V | 87.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | I196 T202 M204 Y215 V219 F268 Y271 | I196-V200 HydrophobicContact CG2-CG2 4.12Å; I196-V200 WeakPolarHBondContact O-CB 3.42Å; I196-V200 WeakPolarHBondContact O-CG2 3.5Å; I196-V200 PolarHBondContact O-N 3.33Å; V200-T202 VanDerWaalsContact C-N 3.34Å; V200-T202 PolarHBondContact O-N 3.29Å; V200-M204 HydrophobicContact CG1-CG 4.03Å; V200-M204 WeakPolarHBondContact O-CB 2.86Å; V200-M204 WeakPolarHBondContact O-CG 3.33Å; V200-M204 PolarHBondContact O-N 3.13Å; V200-Y215 WeakPolarHBondContact CA-OH 2.85Å; V200-Y215 HydrophobicContact CG2-CE1 4.48Å; V200-Y215 PolarHBondContact N-OH 3.29Å; V200-V219 HydrophobicContact CG2-CG1 3.84Å; V200-V219 HydrophobicContact CG2-CG2 4.11Å; V200-F268 HydrophobicContact CG1-CD2 4.38Å; V200-F268 HydrophobicContact CG2-CD2 4.43Å; V200-Y271 HydrophobicContact CG1-CD2 4.06Å; V200-Y271 HydrophobicContact CG1-CE2 3.84Å |
| 201 | A | 87.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R197 N199 N205 | R197-A201 WeakPolarHBondContact O-CB 3.27Å; R197-A201 PolarHBondContact O-N 3.36Å; N199-A201 VanDerWaalsContact C-N 3.32Å; N199-A201 PolarHBondContact O-N 3.44Å; A201-N205 WeakPolarHBondContact O-CB 3.25Å; A201-N205 PolarHBondContact O-N 3.15Å; A201-N205 PolarHBondContact O-ND2 3.16Å |
| 202 | T | 86.6 | Confident | 84.5 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.5 | -48.7 | -178.4 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | D198 N199 V200 K206 | D198-T202 WeakPolarHBondContact O-CB 3.34Å; D198-T202 PolarHBondContact O-N 2.68Å; D198-T202 PolarHBondContact O-OG1 3.34Å; N199-T202 PolarHBondContact O-N 2.98Å; N199-T202 VanDerWaalsContact O-N 3.08Å; V200-T202 VanDerWaalsContact C-N 3.34Å; V200-T202 PolarHBondContact O-N 3.29Å; T202-K206 HydrophobicContact CG2-CD 4.28Å; T202-K206 WeakPolarHBondContact O-CB 3.49Å; T202-K206 VanDerWaalsContact O-CG 3.24Å; T202-K206 WeakPolarHBondContact O-CG 3.43Å; T202-K206 PolarHBondContact O-N 2.9Å; T202-K206 VanDerWaalsContact O-N 3.12Å |
| 203 | V | 83.7 | Confident | 84.1 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.8 | -44.8 | -177.3 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | N199 K206 S207 L212 Y215 | N199-V203 WeakPolarHBondContact O-CB 3.38Å; N199-V203 WeakPolarHBondContact O-CG2 3.3Å; N199-V203 PolarHBondContact O-N 2.88Å; N199-V203 WeakPolarHBondContact OD1-CG2 2.89Å; V203-K206 PolarHBondContact O-N 3.32Å; V203-S207 PolarHBondContact O-N 3.06Å; V203-S207 PolarHBondContact O-OG 3.04Å; V203-L212 HydrophobicContact CG1-CD1 4.09Å; V203-Y215 HydrophobicContact CB-CE1 4.2Å; V203-Y215 HydrophobicContact CB-CE2 4.42Å; V203-Y215 HydrophobicContact CG1-CD1 4.21Å; V203-Y215 HydrophobicContact CG1-CD2 4.48Å; V203-Y215 HydrophobicContact CG1-CE1 3.93Å; V203-Y215 HydrophobicContact CG1-CE2 4.2Å; V203-Y215 HydrophobicContact CG1-CG 4.48Å; V203-Y215 HydrophobicContact CG2-CE2 4.2Å |
| 204 | M | 83.8 | Confident | 84 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.5 | -32.8 | -178.2 | -62.3 | -60.1 | -73.4 | 0 | 0 | 112.8 | V200 S207 K208 G209 A210 Y215 Y271 | V200-M204 HydrophobicContact CG1-CG 4.03Å; V200-M204 WeakPolarHBondContact O-CB 2.86Å; V200-M204 WeakPolarHBondContact O-CG 3.33Å; V200-M204 PolarHBondContact O-N 3.13Å; M204-S207 WeakPolarHBondContact CA-OG 3.28Å; M204-S207 PolarHBondContact O-N 3.34Å; M204-S207 PolarHBondContact O-OG 3.05Å; M204-K208 PolarHBondContact O-N 3.45Å; M204-G209 PolarHBondContact O-N 3.49Å; M204-A210 WeakPolarHBondContact CE-O 3.34Å; M204-Y215 HydrophobicContact SD-CE1 4.47Å; M204-Y271 HydrophobicContact CB-CD1 3.72Å; M204-Y271 HydrophobicContact CB-CD2 4.01Å; M204-Y271 HydrophobicContact CB-CE1 3.45Å; M204-Y271 VanDerWaalsContact CB-CE1 3.45Å; M204-Y271 HydrophobicContact CB-CE2 3.75Å; M204-Y271 HydrophobicContact CB-CG 3.99Å; M204-Y271 VanDerWaalsContact CB-CZ 3.47Å; M204-Y271 HydrophobicContact CE-CD1 4.01Å; M204-Y271 HydrophobicContact CE-CD2 4.4Å; M204-Y271 HydrophobicContact CE-CG 3.73Å; M204-Y271 HydrophobicContact CG-CD1 4.26Å; M204-Y271 HydrophobicContact CG-CD2 3.88Å; M204-Y271 HydrophobicContact CG-CE1 4.36Å; M204-Y271 HydrophobicContact CG-CE2 3.97Å; M204-Y271 HydrophobicContact CG-CG 4.02Å |
| 205 | N | 84.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 54.2 Ų | 54.2 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.6 | -40.6 | 171.6 | -73.7 | -25 | 0 | 0 | 0 | 111.3 | A201 S207 K208 | A201-N205 WeakPolarHBondContact O-CB 3.25Å; A201-N205 PolarHBondContact O-N 3.15Å; A201-N205 PolarHBondContact O-ND2 3.16Å; N205-S207 VanDerWaalsContact C-N 3.34Å; N205-S207 PolarHBondContact O-N 3.4Å; N205-K208 PolarHBondContact O-N 2.81Å |
| 206 | K | 85.9 | Confident | 83.9 | Confident | 171 Ų | 171 | 53.5 Ų | 53.5 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | 175.1 | -75.8 | 175 | -178.8 | -178.7 | 0 | 112.2 | T202 V203 K208 | T202-K206 HydrophobicContact CG2-CD 4.28Å; T202-K206 WeakPolarHBondContact O-CB 3.49Å; T202-K206 VanDerWaalsContact O-CG 3.24Å; T202-K206 WeakPolarHBondContact O-CG 3.43Å; T202-K206 PolarHBondContact O-N 2.9Å; T202-K206 VanDerWaalsContact O-N 3.12Å; V203-K206 PolarHBondContact O-N 3.32Å; K206-K208 PolarHBondContact O-N 3.09Å |
| 207 | S | 79.8 | Confident | 83.8 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.5 | 178.3 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | V203 M204 N205 G209 A210 | V203-S207 PolarHBondContact O-N 3.06Å; V203-S207 PolarHBondContact O-OG 3.04Å; M204-S207 WeakPolarHBondContact CA-OG 3.28Å; M204-S207 PolarHBondContact O-N 3.34Å; M204-S207 PolarHBondContact O-OG 3.05Å; N205-S207 VanDerWaalsContact C-N 3.34Å; N205-S207 PolarHBondContact O-N 3.4Å; S207-G209 PolarHBondContact O-N 2.96Å; S207-A210 VanDerWaalsContact O-CB 3.29Å; S207-A210 WeakPolarHBondContact O-CB 3.42Å; S207-A210 PolarHBondContact O-N 3.47Å; S207-A210 VanDerWaalsContact O-N 3.08Å |
| 208 | K | 78.3 | Confident | 83.8 | Confident | 202 Ų | 202 | 52 Ų | 52 | 88% | 0.878 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 32.3 | -174.7 | -60 | 179.9 | 179 | 178.3 | 0 | 113.3 | M204 N205 K206 A210 | M204-K208 PolarHBondContact O-N 3.45Å; N205-K208 PolarHBondContact O-N 2.81Å; K206-K208 PolarHBondContact O-N 3.09Å; K208-A210 VanDerWaalsContact C-N 3.31Å; K208-A210 PolarHBondContact O-N 3.27Å |
| 209 | G | 74 | Confident | 83.9 | Confident | 24 Ų | 24 | 49 Ų | 49 | 25% | 0.247 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 19.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M204 S207 | M204-G209 PolarHBondContact O-N 3.49Å; S207-G209 PolarHBondContact O-N 2.96Å |
| 210 | A | 78.2 | Confident | 84 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | trans | -63 | 148 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M204 S207 K208 L212 | M204-A210 WeakPolarHBondContact CE-O 3.34Å; S207-A210 VanDerWaalsContact O-CB 3.29Å; S207-A210 WeakPolarHBondContact O-CB 3.42Å; S207-A210 PolarHBondContact O-N 3.47Å; S207-A210 VanDerWaalsContact O-N 3.08Å; K208-A210 VanDerWaalsContact C-N 3.31Å; K208-A210 PolarHBondContact O-N 3.27Å; A210-L212 PolarHBondContact O-N 3.02Å | ||
| 211 | V | 76.9 | Confident | 84 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | trans | -72 | 119.9 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | P213 K272 P274 | V211-P213 HydrophobicContact CG1-CG 4.22Å; V211-P213 WeakPolarHBondContact O-CD 3.44Å; V211-K272 HydrophobicContact CG2-CB 4.25Å; V211-P274 HydrophobicContact CG1-CG 3.95Å | ||
| 212 | L | 82.3 | Confident | 84 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | trans | -116.6 | 87.2 | 176.5 | -69.3 | 171 | 0 | 0 | 0 | 108 | V203 A210 V214 Y215 Q216 | V203-L212 HydrophobicContact CG1-CD1 4.09Å; A210-L212 PolarHBondContact O-N 3.02Å; L212-V214 PolarHBondContact O-N 3.15Å; L212-Y215 PolarHBondContact O-N 2.89Å; L212-Q216 VanDerWaalsContact O-CB 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.48Å; L212-Q216 VanDerWaalsContact O-CG 3.28Å; L212-Q216 WeakPolarHBondContact O-CG 3.32Å; L212-Q216 PolarHBondContact O-N 3.49Å | ||
| 213 | P | 81.1 | Confident | 84 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | -167.3 | -26.2 | 34.5 | 0 | 0 | 0 | 114 | V211 S217 | V211-P213 HydrophobicContact CG1-CG 4.22Å; V211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-S217 WeakPolarHBondContact O-CB 3.11Å; P213-S217 PolarHBondContact O-N 3.19Å |
| 214 | V | 84.3 | Confident | 84.1 | Confident | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.6 | -51 | -178.5 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | L212 Q216 S217 N218 | L212-V214 PolarHBondContact O-N 3.15Å; V214-Q216 PolarHBondContact O-N 3.49Å; V214-S217 WeakPolarHBondContact O-CB 3.5Å; V214-S217 PolarHBondContact O-N 3.3Å; V214-N218 PolarHBondContact O-N 3.48Å |
| 215 | Y | 87.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 175.9 | 176.4 | -102.3 | 0 | 0 | 0 | 112 | L166 Q168 N199 V200 V203 M204 L212 S217 N218 V219 | L166-Y215 HydrophobicContact CB-CE2 3.97Å; L166-Y215 VanDerWaalsContact O-CD2 3.29Å; L166-Y215 WeakPolarHBondContact O-CD2 3.48Å; L166-Y215 VanDerWaalsContact O-CE2 3.31Å; L166-Y215 WeakPolarHBondContact O-CE2 3.05Å; Q168-Y215 HydrophobicContact CG-CD2 4.13Å; Q168-Y215 HydrophobicContact CG-CG 4.46Å; N199-Y215 PolarHBondContact OD1-OH 3.2Å; V200-Y215 WeakPolarHBondContact CA-OH 2.85Å; V200-Y215 HydrophobicContact CG2-CE1 4.48Å; V200-Y215 PolarHBondContact N-OH 3.29Å; V203-Y215 HydrophobicContact CB-CE1 4.2Å; V203-Y215 HydrophobicContact CB-CE2 4.42Å; V203-Y215 HydrophobicContact CG1-CD1 4.21Å; V203-Y215 HydrophobicContact CG1-CD2 4.48Å; V203-Y215 HydrophobicContact CG1-CE1 3.93Å; V203-Y215 HydrophobicContact CG1-CE2 4.2Å; V203-Y215 HydrophobicContact CG1-CG 4.48Å; V203-Y215 HydrophobicContact CG2-CE2 4.2Å; M204-Y215 HydrophobicContact SD-CE1 4.47Å; L212-Y215 PolarHBondContact O-N 2.89Å; Y215-S217 VanDerWaalsContact C-N 3.25Å; Y215-S217 PolarHBondContact O-N 3.3Å; Y215-N218 PolarHBondContact O-N 3.31Å; Y215-V219 HydrophobicContact CD1-CG2 4.2Å; Y215-V219 HydrophobicContact CD2-CG2 4.39Å; Y215-V219 HydrophobicContact CE1-CG2 3.77Å; Y215-V219 HydrophobicContact CE2-CG2 4Å; Y215-V219 HydrophobicContact CG-CG2 4.49Å; Y215-V219 WeakPolarHBondContact O-CG2 3.15Å; Y215-V219 PolarHBondContact O-N 3.17Å |
| 216 | Q | 86.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -34.9 | 179.4 | -70.5 | 175 | -43.6 | 0 | 0 | 111.3 | L212 V214 F220 F268 K272 M277 | L212-Q216 VanDerWaalsContact O-CB 3.32Å; L212-Q216 WeakPolarHBondContact O-CB 3.48Å; L212-Q216 VanDerWaalsContact O-CG 3.28Å; L212-Q216 WeakPolarHBondContact O-CG 3.32Å; L212-Q216 PolarHBondContact O-N 3.49Å; V214-Q216 PolarHBondContact O-N 3.49Å; Q216-F220 WeakPolarHBondContact O-CB 3.45Å; Q216-F220 PolarHBondContact O-N 3.37Å; Q216-F268 HydrophobicContact CB-CE2 4.48Å; Q216-F268 HydrophobicContact CB-CZ 4.46Å; Q216-K272 PolarHBondContact NE2-O 2.69Å; Q216-M277 VanDerWaalsContact C-CE 3.45Å; Q216-M277 HydrophobicContact CB-CE 3.95Å; Q216-M277 HydrophobicContact CB-SD 4.35Å; Q216-M277 VanDerWaalsContact O-CE 3.31Å; Q216-M277 WeakPolarHBondContact O-CE 3.25Å |
| 217 | S | 87.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 174.9 | -171 | 0 | 0 | 0 | 0 | 111.5 | P213 V214 Y215 F220 T221 | P213-S217 WeakPolarHBondContact O-CB 3.11Å; P213-S217 PolarHBondContact O-N 3.19Å; V214-S217 WeakPolarHBondContact O-CB 3.5Å; V214-S217 PolarHBondContact O-N 3.3Å; Y215-S217 VanDerWaalsContact C-N 3.25Å; Y215-S217 PolarHBondContact O-N 3.3Å; S217-F220 PolarHBondContact O-N 3.06Å; S217-T221 WeakPolarHBondContact O-CB 3.45Å; S217-T221 PolarHBondContact O-N 2.96Å; S217-T221 PolarHBondContact O-OG1 3.35Å |
| 218 | N | 89.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 175.6 | -70.9 | -23.7 | 0 | 0 | 0 | 111.5 | L166 S167 L170 N172 I176 V214 Y215 F220 T221 L222 | L166-N218 HydrophobicContact CD2-CB 4.37Å; S167-N218 PolarHBondContact O-ND2 3Å; S167-N218 VanDerWaalsContact O-ND2 3.17Å; L170-N218 PolarHBondContact O-ND2 2.87Å; N172-N218 PolarHBondContact N-OD1 3.01Å; N172-N218 VanDerWaalsContact N-OD1 3.11Å; I176-N218 HydrophobicContact CD1-CB 4.19Å; I176-N218 WeakPolarHBondContact CD1-O 3.27Å; V214-N218 PolarHBondContact O-N 3.48Å; Y215-N218 PolarHBondContact O-N 3.31Å; N218-F220 PolarHBondContact O-N 3.25Å; N218-T221 PolarHBondContact O-N 3.21Å; N218-L222 WeakPolarHBondContact O-CB 3.45Å; N218-L222 PolarHBondContact O-N 3.29Å |
| 219 | V | 89.1 | Confident | 83 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | L166 I196 V200 Y215 L222 M223 F268 | L166-V219 HydrophobicContact CD1-CG2 4.18Å; L166-V219 HydrophobicContact CD2-CB 4.35Å; L166-V219 HydrophobicContact CD2-CG2 3.73Å; L166-V219 HydrophobicContact CG-CG2 4.41Å; I196-V219 HydrophobicContact CG2-CG1 4.12Å; V200-V219 HydrophobicContact CG2-CG1 3.84Å; V200-V219 HydrophobicContact CG2-CG2 4.11Å; Y215-V219 HydrophobicContact CD1-CG2 4.2Å; Y215-V219 HydrophobicContact CD2-CG2 4.39Å; Y215-V219 HydrophobicContact CE1-CG2 3.77Å; Y215-V219 HydrophobicContact CE2-CG2 4Å; Y215-V219 HydrophobicContact CG-CG2 4.49Å; Y215-V219 WeakPolarHBondContact O-CG2 3.15Å; Y215-V219 PolarHBondContact O-N 3.17Å; V219-L222 PolarHBondContact O-N 3.14Å; V219-M223 HydrophobicContact CG1-CG 4.28Å; V219-M223 HydrophobicContact CG1-SD 3.63Å; V219-M223 WeakPolarHBondContact O-CB 3.43Å; V219-M223 VanDerWaalsContact O-CG 3.27Å; V219-M223 WeakPolarHBondContact O-CG 3.43Å; V219-M223 PolarHBondContact O-N 3.05Å; V219-F268 HydrophobicContact CB-CD2 4.49Å; V219-F268 HydrophobicContact CB-CE2 3.96Å; V219-F268 HydrophobicContact CG1-CD2 3.59Å; V219-F268 HydrophobicContact CG1-CE2 3.52Å; V219-F268 HydrophobicContact CG1-CG 4.48Å; V219-F268 HydrophobicContact CG1-CZ 4.35Å |
| 220 | F | 89.3 | Confident | 82.6 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | -179.4 | 179.7 | -117.1 | 0 | 0 | 0 | 112.4 | Q216 S217 N218 L222 M223 L224 W265 F268 M277 K280 I281 | Q216-F220 WeakPolarHBondContact O-CB 3.45Å; Q216-F220 PolarHBondContact O-N 3.37Å; S217-F220 PolarHBondContact O-N 3.06Å; N218-F220 PolarHBondContact O-N 3.25Å; F220-L222 VanDerWaalsContact C-N 3.34Å; F220-L222 PolarHBondContact O-N 3.06Å; F220-M223 PolarHBondContact O-N 2.65Å; F220-L224 HydrophobicContact CD1-CD1 4.07Å; F220-L224 HydrophobicContact CD2-CG 4.31Å; F220-L224 HydrophobicContact CE1-CD1 3.47Å; F220-L224 VanDerWaalsContact CE1-CD1 3.47Å; F220-L224 HydrophobicContact CE1-CG 4.26Å; F220-L224 HydrophobicContact CE2-CD1 3.93Å; F220-L224 HydrophobicContact CE2-CD2 4.05Å; F220-L224 HydrophobicContact CE2-CG 3.85Å; F220-L224 HydrophobicContact CZ-CD1 3.4Å; F220-L224 VanDerWaalsContact CZ-CD1 3.4Å; F220-L224 HydrophobicContact CZ-CD2 4.13Å; F220-L224 HydrophobicContact CZ-CG 3.86Å; F220-L224 WeakPolarHBondContact O-CG 3.28Å; F220-L224 PolarHBondContact O-N 3.27Å; F220-W265 HydrophobicContact CD2-CH2 4.33Å; F220-W265 HydrophobicContact CD2-CZ3 4.49Å; F220-W265 HydrophobicContact CE2-CH2 4.12Å; F220-W265 HydrophobicContact CE2-CZ3 4.4Å; F220-F268 HydrophobicContact CB-CZ 4.2Å; F220-F268 HydrophobicContact CD2-CE1 4.39Å; F220-M277 HydrophobicContact CB-CE 3.81Å; F220-M277 HydrophobicContact CB-CG 4.37Å; F220-M277 HydrophobicContact CB-SD 3.89Å; F220-M277 HydrophobicContact CD1-CE 4.37Å; F220-M277 HydrophobicContact CD1-CG 3.95Å; F220-M277 HydrophobicContact CD2-CG 4.16Å; F220-M277 HydrophobicContact CD2-SD 4.49Å; F220-M277 HydrophobicContact CE1-CG 4.24Å; F220-M277 HydrophobicContact CE2-CG 4.48Å; F220-M277 HydrophobicContact CG-CE 4.24Å; F220-M277 HydrophobicContact CG-CG 3.88Å; F220-M277 HydrophobicContact CG-SD 4.06Å; F220-M277 HydrophobicContact CZ-CG 4.49Å; F220-K280 HydrophobicContact CE1-CB 4.01Å; F220-K280 HydrophobicContact CE1-CD 4.05Å; F220-K280 HydrophobicContact CZ-CB 3.88Å; F220-I281 HydrophobicContact CD2-CD1 4.3Å; F220-I281 HydrophobicContact CD2-CG1 4Å; F220-I281 HydrophobicContact CE2-CD1 4.07Å; F220-I281 HydrophobicContact CE2-CG1 3.29Å; F220-I281 HydrophobicContact CZ-CG1 3.85Å |
| 221 | T | 87.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.4 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | I176 S217 N218 M223 L224 N225 | I176-T221 HydrophobicContact CB-CG2 4.47Å; I176-T221 HydrophobicContact CD1-CG2 4.46Å; I176-T221 HydrophobicContact CG2-CG2 3.95Å; S217-T221 WeakPolarHBondContact O-CB 3.45Å; S217-T221 PolarHBondContact O-N 2.96Å; S217-T221 PolarHBondContact O-OG1 3.35Å; N218-T221 PolarHBondContact O-N 3.21Å; T221-M223 PolarHBondContact O-N 3.05Å; T221-L224 PolarHBondContact O-N 3.37Å; T221-N225 PolarHBondContact O-N 3.41Å |
| 222 | L | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 177 | -175.9 | 65.1 | 0 | 0 | 0 | 111.7 | L166 I176 F179 L183 V192 I196 N218 V219 F220 N225 I226 | L166-L222 HydrophobicContact CD1-CD2 4.42Å; L166-L222 HydrophobicContact CD2-CB 4.43Å; L166-L222 HydrophobicContact CD2-CD2 3.8Å; L166-L222 HydrophobicContact CG-CD2 4.25Å; I176-L222 HydrophobicContact CD1-CB 4.47Å; I176-L222 HydrophobicContact CG2-CB 4.1Å; I176-L222 HydrophobicContact CG2-CD1 3.89Å; F179-L222 HydrophobicContact CD1-CD1 3.89Å; F179-L222 HydrophobicContact CE1-CD1 4.34Å; L183-L222 HydrophobicContact CD1-CD1 3.95Å; V192-L222 HydrophobicContact CG1-CD2 4.48Å; I196-L222 HydrophobicContact CD1-CD2 3.59Å; I196-L222 HydrophobicContact CD1-CG 3.94Å; I196-L222 HydrophobicContact CG1-CD2 3.88Å; N218-L222 WeakPolarHBondContact O-CB 3.45Å; N218-L222 PolarHBondContact O-N 3.29Å; V219-L222 PolarHBondContact O-N 3.14Å; F220-L222 VanDerWaalsContact C-N 3.34Å; F220-L222 PolarHBondContact O-N 3.06Å; L222-N225 PolarHBondContact O-N 3.02Å; L222-I226 WeakPolarHBondContact O-CG1 3.44Å |
| 223 | M | 87.4 | Confident | 80 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 178.2 | -72.9 | 174.2 | 66.5 | 0 | 0 | 113.1 | I196 V219 F220 T221 N225 I226 M264 W265 F268 | I196-M223 HydrophobicContact CG2-CG 4.3Å; I196-M223 HydrophobicContact CG2-SD 4.33Å; V219-M223 HydrophobicContact CG1-CG 4.28Å; V219-M223 HydrophobicContact CG1-SD 3.63Å; V219-M223 WeakPolarHBondContact O-CB 3.43Å; V219-M223 VanDerWaalsContact O-CG 3.27Å; V219-M223 WeakPolarHBondContact O-CG 3.43Å; V219-M223 PolarHBondContact O-N 3.05Å; F220-M223 PolarHBondContact O-N 2.65Å; T221-M223 PolarHBondContact O-N 3.05Å; M223-N225 VanDerWaalsContact C-N 3.34Å; M223-I226 PolarHBondContact O-N 3.34Å; M223-M264 HydrophobicContact CB-CE 4.38Å; M223-M264 HydrophobicContact CE-CE 3.87Å; M223-M264 HydrophobicContact CE-CG 4.02Å; M223-M264 HydrophobicContact CE-SD 4.37Å; M223-M264 HydrophobicContact CG-CE 3.99Å; M223-M264 HydrophobicContact CG-CG 4.45Å; M223-M264 HydrophobicContact CG-SD 3.91Å; M223-M264 HydrophobicContact SD-CG 4.38Å; M223-W265 HydrophobicContact CB-CH2 4.19Å; M223-W265 HydrophobicContact CB-CZ2 3.99Å; M223-W265 HydrophobicContact CE-CB 4.35Å; M223-W265 HydrophobicContact CE-CD2 3.26Å; M223-W265 HydrophobicContact CE-CE3 3.35Å; M223-W265 HydrophobicContact CE-CG 3.74Å; M223-W265 HydrophobicContact CE-CH2 4.03Å; M223-W265 HydrophobicContact CE-CZ2 3.97Å; M223-W265 HydrophobicContact CE-CZ3 3.74Å; M223-F268 HydrophobicContact CE-CB 3.93Å; M223-F268 HydrophobicContact CE-CD1 4.27Å; M223-F268 HydrophobicContact CE-CG 4.22Å; M223-F268 HydrophobicContact SD-CB 4Å; M223-F268 HydrophobicContact SD-CD1 4.14Å; M223-F268 HydrophobicContact SD-CD2 4.21Å; M223-F268 HydrophobicContact SD-CG 3.86Å |
| 224 | L | 85.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.3 | -29.5 | 176.5 | -76.1 | -179 | 0 | 0 | 0 | 113.2 | F220 T221 I226 W265 V284 | F220-L224 HydrophobicContact CD1-CD1 4.07Å; F220-L224 HydrophobicContact CD2-CG 4.31Å; F220-L224 HydrophobicContact CE1-CD1 3.47Å; F220-L224 VanDerWaalsContact CE1-CD1 3.47Å; F220-L224 HydrophobicContact CE1-CG 4.26Å; F220-L224 HydrophobicContact CE2-CD1 3.93Å; F220-L224 HydrophobicContact CE2-CD2 4.05Å; F220-L224 HydrophobicContact CE2-CG 3.85Å; F220-L224 HydrophobicContact CZ-CD1 3.4Å; F220-L224 VanDerWaalsContact CZ-CD1 3.4Å; F220-L224 HydrophobicContact CZ-CD2 4.13Å; F220-L224 HydrophobicContact CZ-CG 3.86Å; F220-L224 WeakPolarHBondContact O-CG 3.28Å; F220-L224 PolarHBondContact O-N 3.27Å; T221-L224 PolarHBondContact O-N 3.37Å; L224-I226 PolarHBondContact O-N 3.42Å; L224-W265 HydrophobicContact CD2-CH2 4.36Å; L224-V284 HydrophobicContact CD2-CG1 4.15Å |
| 225 | N | 84.2 | Confident | 78.3 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6.6 | 178.2 | -73.1 | 1.3 | 0 | 0 | 0 | 113.2 | Q180 L183 T221 L222 M223 N227 | Q180-N225 HydrophobicContact CG-CB 4.22Å; L183-N225 HydrophobicContact CD1-CB 4.35Å; T221-N225 PolarHBondContact O-N 3.41Å; L222-N225 PolarHBondContact O-N 3.02Å; M223-N225 VanDerWaalsContact C-N 3.34Å; N225-N227 PolarHBondContact O-N 3.38Å |
| 226 | I | 83.5 | Confident | 77.2 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | trans | -79.2 | 102.7 | 176.8 | -66.9 | 171.2 | 0 | 0 | 0 | 108.9 | L183 R189 M193 I196 L222 M223 L224 M228 F261 M264 | L183-I226 HydrophobicContact CD1-CG1 4.15Å; R189-I226 HydrophobicContact CG-CG2 3.96Å; M193-I226 HydrophobicContact CE-CG2 3.32Å; M193-I226 HydrophobicContact CG-CD1 4.12Å; I196-I226 HydrophobicContact CD1-CD1 4.01Å; L222-I226 WeakPolarHBondContact O-CG1 3.44Å; M223-I226 PolarHBondContact O-N 3.34Å; L224-I226 PolarHBondContact O-N 3.42Å; I226-M228 HydrophobicContact CG2-SD 4.38Å; I226-F261 HydrophobicContact CG2-CD2 4.38Å; I226-F261 HydrophobicContact CG2-CE2 4.42Å; I226-M264 HydrophobicContact CD1-CE 4Å; I226-M264 HydrophobicContact CD1-SD 3.87Å | ||
| 227 | N | 75.9 | Confident | 76.8 | Confident | 105 Ų | 105 | 50.6 Ų | 50.6 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -84 | 120.2 | 172.3 | -67.4 | -21.7 | 0 | 0 | 0 | 109.9 | R189 N225 | R189-N227 WeakPolarHBondContact CD-O 3.22Å; R189-N227 PolarHBondContact NH1-O 3.45Å; N225-N227 PolarHBondContact O-N 3.38Å |
| 228 | M | 74.3 | Confident | 76.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 136.4 | 177.2 | -72.4 | -65.6 | -68.8 | 0 | 0 | 110.3 | M193 I226 H257 K258 F261 H292 | M193-M228 HydrophobicContact CE-CE 4.46Å; M193-M228 HydrophobicContact CE-SD 3.25Å; M193-M228 WeakPolarHBondContact CE-SD 3.43Å; M193-M228 HydrophobicContact SD-SD 4.46Å; I226-M228 HydrophobicContact CG2-SD 4.38Å; M228-H257 HydrophobicContact CE-CB 3.94Å; M228-K258 HydrophobicContact CE-CG 4.2Å; M228-F261 HydrophobicContact CE-CB 4.02Å; M228-F261 HydrophobicContact CE-CG 4.34Å; M228-F261 HydrophobicContact CG-CD2 3.69Å; M228-F261 HydrophobicContact CG-CE2 3.74Å; M228-F261 HydrophobicContact CG-CG 4.1Å; M228-F261 HydrophobicContact CG-CZ 4.22Å; M228-F261 HydrophobicContact SD-CB 4.14Å; M228-F261 HydrophobicContact SD-CD2 3.84Å; M228-F261 HydrophobicContact SD-CE2 4.46Å; M228-F261 HydrophobicContact SD-CG 4.13Å; M228-H292 HydrophobicContact CB-CB 3.82Å; M228-H292 VanDerWaalsContact CB-CG 3.47Å; M228-H292 HydrophobicContact CG-CB 3.91Å |
| 229 | P | 70.8 | Confident | 75.3 | Confident | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 143.2 | 175.3 | 7.2 | 7.6 | 0 | 0 | 0 | 109.7 | E234 L235 L254 | P229-E234 WeakPolarHBondContact CA-OE2 3.32Å; P229-E234 HydrophobicContact CB-CB 3.84Å; P229-E234 WeakPolarHBondContact CB-OE2 3.44Å; P229-L235 HydrophobicContact CG-CD2 3.82Å; P229-L235 HydrophobicContact CG-CG 4.4Å; P229-L254 HydrophobicContact CB-CD1 4.05Å; P229-L254 HydrophobicContact CG-CD1 3.8Å |
| 230 | S | 64.8 | Low | 74.3 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 57% | 0.573 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -84.4 | -28 | 176 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | E234 | S230-E234 PolarHBondContact N-OE2 2.93Š|
| 231 | Q | 63.8 | Low | 73.1 | Confident | 121 Ų | 121 | 59.4 Ų | 59.4 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -127.8 | 150.3 | -178.1 | -59.8 | -174.7 | 1.2 | 0 | 0 | 112 | T233 E234 | Q231-T233 WeakPolarHBondContact CB-OG1 3.37Å; Q231-T233 PolarHBondContact O-N 2.97Å; Q231-T233 PolarHBondContact OE1-OG1 2.89Å; Q231-E234 HydrophobicContact CB-CG 4.43Å; Q231-E234 PolarHBondContact N-OE2 3.46Å; Q231-E234 WeakPolarHBondContact O-CB 3.36Å; Q231-E234 PolarHBondContact O-N 2.86Å |
| 232 | E | 60.9 | Low | 71.7 | Confident | 134 Ų | 134 | 61.6 Ų | 61.6 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -65.1 | -25.1 | 177.5 | -56.7 | -163.9 | 146.4 | 0 | 0 | 112.7 | E234 L235 L254 | E232-E234 PolarHBondContact O-N 3.28Å; E232-L235 WeakPolarHBondContact O-CB 3.28Å; E232-L235 PolarHBondContact O-N 3.36Å; E232-L254 HydrophobicContact CG-CB 3.74Å; E232-L254 HydrophobicContact CG-CD2 3.82Å; E232-L254 HydrophobicContact CG-CG 4.34Å |
| 233 | T | 59.1 | Low | 69.9 | Low | 104 Ų | 104 | 70.9 Ų | 70.9 | 64% | 0.638 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -66 | -16.7 | 176.9 | 45.5 | 0 | 0 | 0 | 0 | 113.8 | Q231 T236 | Q231-T233 WeakPolarHBondContact CB-OG1 3.37Å; Q231-T233 PolarHBondContact O-N 2.97Å; Q231-T233 PolarHBondContact OE1-OG1 2.89Å; T233-T236 WeakPolarHBondContact O-CG2 3.48Å |
| 234 | E | 63.6 | Low | 67.9 | Low | 93 Ų | 93 | 75.1 Ų | 75.1 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -82 | -16 | 178.2 | -65.9 | 169.7 | 177.3 | 0 | 0 | 112.2 | P229 S230 Q231 E232 T236 | P229-E234 WeakPolarHBondContact CA-OE2 3.32Å; P229-E234 HydrophobicContact CB-CB 3.84Å; P229-E234 WeakPolarHBondContact CB-OE2 3.44Å; S230-E234 PolarHBondContact N-OE2 2.93Å; Q231-E234 HydrophobicContact CB-CG 4.43Å; Q231-E234 PolarHBondContact N-OE2 3.46Å; Q231-E234 WeakPolarHBondContact O-CB 3.36Å; Q231-E234 PolarHBondContact O-N 2.86Å; E232-E234 PolarHBondContact O-N 3.28Å; E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 PolarHBondContact O-N 3.37Å; E234-T236 PolarHBondContact O-OG1 3.28Å |
| 235 | L | 65.3 | Low | 66.2 | Low | 22 Ų | 22 | 80 Ų | 80 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | trans | -75.5 | 76.9 | 179.2 | -64.6 | 168.9 | 0 | 0 | 0 | 110.8 | D186 P229 E232 F238 A252 L254 | D186-L235 HydrophobicContact CB-CD2 4Å; D186-L235 WeakPolarHBondContact OD1-CD2 3.29Å; D186-L235 VanDerWaalsContact OD2-CA 3.26Å; D186-L235 WeakPolarHBondContact OD2-CA 3.44Å; P229-L235 HydrophobicContact CG-CD2 3.82Å; P229-L235 HydrophobicContact CG-CG 4.4Å; E232-L235 WeakPolarHBondContact O-CB 3.28Å; E232-L235 PolarHBondContact O-N 3.36Å; L235-F238 HydrophobicContact CB-CZ 4.28Å; L235-F238 WeakPolarHBondContact O-CE2 3.36Å; L235-A252 WeakPolarHBondContact CD1-O 3.35Å; L235-L254 HydrophobicContact CD1-CB 4.06Å; L235-L254 HydrophobicContact CD1-CD1 4.3Å | ||
| 236 | T | 64.5 | Low | 64.8 | Low | 104 Ų | 104 | 83.9 Ų | 83.9 | 64% | 0.638 | 43% | 0.425 | S | S | * | . | trans | -123.7 | -18.2 | -174 | 55.1 | 0 | 0 | 0 | 0 | 113 | D186 T233 E234 | D186-T236 PolarHBondContact OD2-N 2.9Å; T233-T236 WeakPolarHBondContact O-CG2 3.48Å; E234-T236 VanDerWaalsContact C-N 3.28Å; E234-T236 PolarHBondContact O-N 3.37Å; E234-T236 PolarHBondContact O-OG1 3.28Å | ||
| 237 | N | 77.1 | Confident | 63.3 | Low | 75 Ų | 75 | 91 Ų | 91 | 40% | 0.401 | 46% | 0.458 | S | S | . | . | trans | -106.8 | 86.9 | -170.3 | -166.9 | 19 | 0 | 0 | 0 | 110.5 | M185 D186 | M185-N237 CarbonylContact C-O 3.54Å; M185-N237 VanDerWaalsContact CA-O 3.27Å; M185-N237 WeakPolarHBondContact CA-O 3.35Å; D186-N237 PolarHBondContact N-O 3.44Å; D186-N237 PolarHBondContact OD2-N 2.98Å | ||
| 238 | F | 77.5 | Confident | 62.5 | Low | 27 Ų | 27 | 92.5 Ų | 92.5 | 12% | 0.118 | 47% | 0.466 | C | S | . | . | trans | -102 | 135.5 | 175.8 | -61.4 | -80.3 | 0 | 0 | 0 | 110.9 | D186 D187 L235 V240 W249 A252 | D186-F238 HydrophobicContact CB-CD1 3.91Å; D186-F238 HydrophobicContact CB-CE1 3.65Å; D186-F238 HydrophobicContact CB-CZ 4.25Å; D187-F238 HydrophobicContact CB-CD1 4.26Å; L235-F238 HydrophobicContact CB-CZ 4.28Å; L235-F238 WeakPolarHBondContact O-CE2 3.36Å; F238-V240 VanDerWaalsContact C-N 3.32Å; F238-W249 HydrophobicContact CB-CH2 3.96Å; F238-W249 AromaticContact CD1-CH2 3.22Å; F238-W249 HydrophobicContact CD1-CH2 3.22Å; F238-W249 AromaticContact CD1-CZ2 3.65Å; F238-W249 HydrophobicContact CD1-CZ2 3.65Å; F238-W249 AromaticContact CD1-CZ3 3.99Å; F238-W249 HydrophobicContact CD1-CZ3 3.99Å; F238-W249 HydrophobicContact CD2-CH2 4.21Å; F238-W249 HydrophobicContact CD2-CZ3 4.41Å; F238-W249 AromaticContact CE1-CH2 3.67Å; F238-W249 HydrophobicContact CE1-CH2 3.67Å; F238-W249 HydrophobicContact CE1-CZ2 4.02Å; F238-W249 HydrophobicContact CE1-CZ3 4.05Å; F238-W249 HydrophobicContact CE2-CZ3 4.48Å; F238-W249 AromaticContact CG-CH2 3.53Å; F238-W249 HydrophobicContact CG-CH2 3.53Å; F238-W249 HydrophobicContact CG-CZ2 4.35Å; F238-W249 HydrophobicContact CG-CZ3 4.16Å; F238-W249 HydrophobicContact CZ-CH2 4.33Å; F238-W249 HydrophobicContact CZ-CZ3 4.31Å; F238-A252 HydrophobicContact CE1-CB 4.47Å; F238-A252 HydrophobicContact CZ-CB 4.22Å | ||
| 239 | M | 68.7 | Low | 62.2 | Low | 28 Ų | 28 | 92.5 Ų | 92.5 | 14% | 0.138 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -63.2 | -41.8 | 172.2 | -168.6 | -169.5 | -148 | 0 | 0 | 110.8 | M131 A134 A135 M185 D187 I188 | M131-M239 HydrophobicContact CE-CE 4.13Å; M131-M239 WeakPolarHBondContact O-CE 3.45Å; A134-M239 HydrophobicContact CB-CE 3.85Å; A135-M239 HydrophobicContact CB-CE 3.61Å; A135-M239 HydrophobicContact CB-CG 4.35Å; M185-M239 HydrophobicContact SD-CB 3.55Å; M185-M239 VanDerWaalsContact SD-CB 3.55Å; M185-M239 HydrophobicContact SD-CG 3.81Å; D187-M239 WeakPolarHBondContact OD1-CB 3.03Å; D187-M239 PolarHBondContact OD1-N 3.35Å; D187-M239 VanDerWaalsContact OD2-CB 3.23Å; D187-M239 WeakPolarHBondContact OD2-CB 3.42Å; D187-M239 PolarHBondContact OD2-N 3.13Å; I188-M239 HydrophobicContact CD1-CB 4.24Å; I188-M239 HydrophobicContact CD1-CE 3.8Å; I188-M239 HydrophobicContact CD1-CG 4.22Å; I188-M239 HydrophobicContact CD1-SD 3.51Å; I188-M239 VanDerWaalsContact CD1-SD 3.51Å; I188-M239 HydrophobicContact CG1-CB 4.22Å; I188-M239 HydrophobicContact CG1-SD 3.87Å |
| 240 | V | 68.3 | Low | 62.2 | Low | 16 Ų | 16 | 98.1 Ų | 98.1 | 10% | 0.097 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -111.3 | 106.2 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 109 | F153 D187 F238 | F153-V240 HydrophobicContact CD2-CG2 4.41Å; D187-V240 PolarHBondContact OD2-N 3.23Å; F238-V240 VanDerWaalsContact C-N 3.32Å |
| 241 | K | 64.2 | Low | 62.5 | Low | 169 Ų | 169 | 94.2 Ų | 94.2 | 74% | 0.735 | 46% | 0.461 | S | S | * | . | trans | -82 | 127.3 | 176.6 | -62.2 | -173.7 | 179.6 | -176.7 | 0 | 109.8 | ||||
| 242 | Q | 58.1 | Low | 62.9 | Low | 81 Ų | 81 | 89.4 Ų | 89.4 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | trans | -117.6 | 143.8 | 178.1 | -167.2 | 174.5 | -4.9 | 0 | 0 | 111.3 | T244 | Q242-T244 PolarHBondContact NE2-O 3.31Š| ||
| 243 | E | 50.5 | Low | 63.7 | Low | 196 Ų | 196 | 87.3 Ų | 87.3 | 92% | 0.916 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -95.4 | -8.8 | -179 | -64.4 | -178.7 | 163.9 | 0 | 0 | 113.5 | ||
| 244 | T | 44.4 | Very low | 64.8 | Low | 91 Ų | 91 | 83 Ų | 83 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -132.3 | 119.1 | -168.7 | 46 | 0 | 0 | 0 | 0 | 113.5 | Q242 | Q242-T244 PolarHBondContact NE2-O 3.31Š|
| 245 | K | 51.4 | Low | 65.8 | Low | 165 Ų | 165 | 84 Ų | 84 | 72% | 0.717 | 41% | 0.409 | S | S | * | . | trans | 58.2 | 83.8 | 169.7 | -60.6 | -173.7 | -178.2 | 178.8 | 0 | 117 | E247 | K245-E247 PolarHBondContact O-N 2.94Å; K245-E247 VanDerWaalsContact O-N 3.17Å | ||
| 246 | H | 53.8 | Low | 66.7 | Low | 115 Ų | 115 | 84.2 Ų | 84.2 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.2 | 167.7 | -70.5 | -81.7 | 0 | 0 | 0 | 114.6 | D248 W249 | H246-D248 PolarHBondContact O-N 3.14Å; H246-W249 PolarHBondContact O-N 3.15Å |
| 247 | E | 51.6 | Low | 67.7 | Low | 158 Ų | 158 | 79.2 Ų | 79.2 | 74% | 0.738 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -30.3 | -171.4 | -70.6 | -169.7 | 156.3 | 0 | 0 | 114.4 | K245 K253 | K245-E247 PolarHBondContact O-N 2.94Å; K245-E247 VanDerWaalsContact O-N 3.17Å; E247-K253 WeakPolarHBondContact O-CE 3.12Å; E247-K253 PolarHBondContact O-NZ 3.01Å |
| 248 | D | 59.5 | Low | 68.2 | Low | 138 Ų | 138 | 78.2 Ų | 78.2 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -97.6 | -6.3 | 178.2 | -69.6 | -39.4 | 0 | 0 | 0 | 113.1 | H246 K250 | H246-D248 PolarHBondContact O-N 3.14Å; D248-K250 PolarHBondContact O-N 2.88Å |
| 249 | W | 68.4 | Low | 68.8 | Low | 16 Ų | 16 | 82 Ų | 82 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | trans | -81.4 | 93.8 | -176.4 | -168.9 | 20.1 | 0 | 0 | 0 | 111.4 | F151 D187 F238 H246 A251 A252 | F151-W249 AromaticContact CD2-NE1 3.61Å; F151-W249 AromaticContact CE2-CD1 3.97Å; F151-W249 HydrophobicContact CE2-CD2 4.46Å; F151-W249 AromaticContact CE2-CE2 3.47Å; F151-W249 VanDerWaalsContact CE2-CE2 3.47Å; F151-W249 AromaticContact CE2-CZ2 3.63Å; F151-W249 HydrophobicContact CE2-CZ2 3.63Å; F151-W249 AromaticContact CE2-NE1 3.1Å; F151-W249 HydrophobicContact CZ-CZ2 4.15Å; F151-W249 AromaticContact CZ-NE1 3.53Å; D187-W249 HydrophobicContact CB-CZ2 4.24Å; F238-W249 HydrophobicContact CB-CH2 3.96Å; F238-W249 AromaticContact CD1-CH2 3.22Å; F238-W249 HydrophobicContact CD1-CH2 3.22Å; F238-W249 AromaticContact CD1-CZ2 3.65Å; F238-W249 HydrophobicContact CD1-CZ2 3.65Å; F238-W249 AromaticContact CD1-CZ3 3.99Å; F238-W249 HydrophobicContact CD1-CZ3 3.99Å; F238-W249 HydrophobicContact CD2-CH2 4.21Å; F238-W249 HydrophobicContact CD2-CZ3 4.41Å; F238-W249 AromaticContact CE1-CH2 3.67Å; F238-W249 HydrophobicContact CE1-CH2 3.67Å; F238-W249 HydrophobicContact CE1-CZ2 4.02Å; F238-W249 HydrophobicContact CE1-CZ3 4.05Å; F238-W249 HydrophobicContact CE2-CZ3 4.48Å; F238-W249 AromaticContact CG-CH2 3.53Å; F238-W249 HydrophobicContact CG-CH2 3.53Å; F238-W249 HydrophobicContact CG-CZ2 4.35Å; F238-W249 HydrophobicContact CG-CZ3 4.16Å; F238-W249 HydrophobicContact CZ-CH2 4.33Å; F238-W249 HydrophobicContact CZ-CZ3 4.31Å; H246-W249 PolarHBondContact O-N 3.15Å; W249-A251 PolarHBondContact O-N 2.86Å; W249-A251 VanDerWaalsContact O-N 3.15Å; W249-A252 HydrophobicContact CB-CB 4.08Å; W249-A252 HydrophobicContact CD2-CB 3.76Å; W249-A252 HydrophobicContact CE3-CB 3.58Å; W249-A252 HydrophobicContact CG-CB 4.01Å; W249-A252 HydrophobicContact CZ3-CB 4.3Å; W249-A252 WeakPolarHBondContact O-CB 3.46Å; W249-A252 PolarHBondContact O-N 3.19Å | ||
| 250 | K | 70.3 | Confident | 69.7 | Low | 125 Ų | 125 | 81.1 Ų | 81.1 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -54.2 | -33.5 | 177.6 | -64.3 | -179.2 | -179.9 | 171.1 | 0 | 113.4 | Y190 D248 A252 K253 D256 | Y190-K250 HydrophobicContact CE1-CB 4.4Å; D248-K250 PolarHBondContact O-N 2.88Å; K250-A252 PolarHBondContact O-N 3.46Å; K250-K253 PolarHBondContact O-N 3.47Å; K250-D256 HydrophobicContact CB-CB 4.31Å; K250-D256 VanDerWaalsContact O-CB 3.3Å; K250-D256 WeakPolarHBondContact O-CB 3.46Å |
| 251 | A | 72.4 | Confident | 70.7 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -76.9 | -8.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y190 Y191 W249 H257 | Y190-A251 HydrophobicContact CD1-CB 3.64Å; Y190-A251 HydrophobicContact CE1-CB 4.34Å; Y190-A251 HydrophobicContact CG-CB 3.81Å; Y191-A251 HydrophobicContact CE2-CB 4.31Å; W249-A251 PolarHBondContact O-N 2.86Å; W249-A251 VanDerWaalsContact O-N 3.15Å; A251-H257 PolarHBondContact O-NE2 3.39Å |
| 252 | A | 70.8 | Confident | 72 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -93.8 | -7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L235 F238 W249 K250 | L235-A252 WeakPolarHBondContact CD1-O 3.35Å; F238-A252 HydrophobicContact CE1-CB 4.47Å; F238-A252 HydrophobicContact CZ-CB 4.22Å; W249-A252 HydrophobicContact CB-CB 4.08Å; W249-A252 HydrophobicContact CD2-CB 3.76Å; W249-A252 HydrophobicContact CE3-CB 3.58Å; W249-A252 HydrophobicContact CG-CB 4.01Å; W249-A252 HydrophobicContact CZ3-CB 4.3Å; W249-A252 WeakPolarHBondContact O-CB 3.46Å; W249-A252 PolarHBondContact O-N 3.19Å; K250-A252 PolarHBondContact O-N 3.46Å |
| 253 | K | 79.1 | Confident | 73.5 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 39% | 0.391 | 35% | 0.348 | S | S | . | . | trans | -99.4 | 119.3 | -177.8 | -66.7 | -176.5 | -177.2 | 179.5 | 0 | 111.4 | E247 K250 H255 D256 H257 | E247-K253 WeakPolarHBondContact O-CE 3.12Å; E247-K253 PolarHBondContact O-NZ 3.01Å; K250-K253 PolarHBondContact O-N 3.47Å; K253-H255 PolarHBondContact O-N 3.45Å; K253-D256 HydrophobicContact CB-CB 4.21Å; K253-D256 PolarHBondContact O-N 2.86Å; K253-H257 PolarHBondContact O-CD2 3.36Å; K253-H257 PolarHBondContact O-N 3.37Å; K253-H257 VanDerWaalsContact O-N 3.14Å | ||
| 254 | L | 81.8 | Confident | 75.5 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.5 | -39.8 | 177.2 | -171.2 | 83.5 | 0 | 0 | 0 | 112.1 | P229 E232 L235 D256 H257 K258 | P229-L254 HydrophobicContact CB-CD1 4.05Å; P229-L254 HydrophobicContact CG-CD1 3.8Å; E232-L254 HydrophobicContact CG-CB 3.74Å; E232-L254 HydrophobicContact CG-CD2 3.82Å; E232-L254 HydrophobicContact CG-CG 4.34Å; L235-L254 HydrophobicContact CD1-CB 4.06Å; L235-L254 HydrophobicContact CD1-CD1 4.3Å; L254-D256 VanDerWaalsContact C-N 3.3Å; L254-D256 PolarHBondContact O-N 3.05Å; L254-H257 WeakPolarHBondContact O-CB 3.49Å; L254-H257 PolarHBondContact O-N 3.31Å; L254-K258 WeakPolarHBondContact O-CG 3.26Å; L254-K258 PolarHBondContact O-N 3.4Å |
| 255 | H | 84 | Confident | 77.7 | Confident | 115 Ų | 115 | 61 Ų | 61 | 53% | 0.532 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58 | -41.3 | 176.9 | 176.6 | -87.1 | 0 | 0 | 0 | 112.6 | K253 K258 R259 | K253-H255 PolarHBondContact O-N 3.45Å; H255-K258 PolarHBondContact O-N 3.43Å; H255-R259 WeakPolarHBondContact O-CB 3.25Å; H255-R259 PolarHBondContact O-N 2.93Å |
| 256 | D | 84.8 | Confident | 79.6 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.2 | -33.4 | 178.7 | -76.4 | -37 | 0 | 0 | 0 | 111.8 | Y190 K250 K253 L254 R259 A260 | Y190-D256 HydrophobicContact CE2-CB 4.14Å; K250-D256 HydrophobicContact CB-CB 4.31Å; K250-D256 VanDerWaalsContact O-CB 3.3Å; K250-D256 WeakPolarHBondContact O-CB 3.46Å; K253-D256 HydrophobicContact CB-CB 4.21Å; K253-D256 PolarHBondContact O-N 2.86Å; L254-D256 VanDerWaalsContact C-N 3.3Å; L254-D256 PolarHBondContact O-N 3.05Å; D256-R259 PolarHBondContact O-N 3.41Å; D256-A260 WeakPolarHBondContact O-CB 3.44Å; D256-A260 PolarHBondContact O-N 3.06Å |
| 257 | H | 85.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 168.3 | -83.1 | -108.4 | 0 | 0 | 0 | 111.8 | D186 R189 M228 A251 K253 L254 R259 A260 F261 | D186-H257 PolarHBondContact O-CE1 3.19Å; R189-H257 PolarHBondContact NE-ND1 3.45Å; R189-H257 PolarHBondContact NH2-CE1 3.12Å; M228-H257 HydrophobicContact CE-CB 3.94Å; A251-H257 PolarHBondContact O-NE2 3.39Å; K253-H257 PolarHBondContact O-CD2 3.36Å; K253-H257 PolarHBondContact O-N 3.37Å; K253-H257 VanDerWaalsContact O-N 3.14Å; L254-H257 WeakPolarHBondContact O-CB 3.49Å; L254-H257 PolarHBondContact O-N 3.31Å; H257-R259 VanDerWaalsContact C-N 3.27Å; H257-R259 PolarHBondContact O-N 3.47Å; H257-A260 PolarHBondContact O-N 3.05Å; H257-A260 VanDerWaalsContact O-N 3.14Å; H257-F261 WeakPolarHBondContact O-CB 3.48Å; H257-F261 PolarHBondContact O-N 3.03Å |
| 258 | K | 87.3 | Confident | 83 | Confident | 53 Ų | 53 | 44 Ų | 44 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 177.1 | -69.1 | -169.2 | 178.2 | -171.9 | 0 | 111.8 | M228 L254 H255 F261 E262 H292 | M228-K258 HydrophobicContact CE-CG 4.2Å; L254-K258 WeakPolarHBondContact O-CG 3.26Å; L254-K258 PolarHBondContact O-N 3.4Å; H255-K258 PolarHBondContact O-N 3.43Å; K258-F261 PolarHBondContact O-N 3.48Å; K258-E262 WeakPolarHBondContact O-CB 3.23Å; K258-E262 PolarHBondContact O-N 3.34Å; K258-H292 WeakPolarHBondContact CB-O 3.33Å; K258-H292 VanDerWaalsContact CG-O 3.32Å; K258-H292 WeakPolarHBondContact CG-O 3.37Å |
| 259 | R | 89.2 | Confident | 84.4 | Confident | 106 Ų | 106 | 38.3 Ų | 38.3 | 40% | 0.4 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 176.2 | -170.9 | -177.8 | -176.5 | -171.4 | 5.6 | 112.6 | H255 D256 H257 R263 | H255-R259 WeakPolarHBondContact O-CB 3.25Å; H255-R259 PolarHBondContact O-N 2.93Å; D256-R259 PolarHBondContact O-N 3.41Å; H257-R259 VanDerWaalsContact C-N 3.27Å; H257-R259 PolarHBondContact O-N 3.47Å; R259-R263 WeakPolarHBondContact O-CB 3.5Å; R259-R263 VanDerWaalsContact O-CG 3.29Å; R259-R263 WeakPolarHBondContact O-CG 3.28Å; R259-R263 PolarHBondContact O-N 3.09Å; R259-R263 VanDerWaalsContact O-N 3.13Å |
| 260 | A | 87.8 | Confident | 85.3 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y190 M193 D256 H257 R263 M264 | Y190-A260 HydrophobicContact CD2-CB 4.16Å; Y190-A260 HydrophobicContact CE2-CB 4.01Å; M193-A260 HydrophobicContact CB-CB 4.25Å; M193-A260 HydrophobicContact SD-CB 4.01Å; D256-A260 WeakPolarHBondContact O-CB 3.44Å; D256-A260 PolarHBondContact O-N 3.06Å; H257-A260 PolarHBondContact O-N 3.05Å; H257-A260 VanDerWaalsContact O-N 3.14Å; A260-R263 PolarHBondContact O-N 3.39Å; A260-M264 WeakPolarHBondContact O-CB 3.38Å; A260-M264 PolarHBondContact O-N 3.33Å |
| 261 | F | 90.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 175.7 | -175.8 | -99.5 | 0 | 0 | 0 | 111.9 | M193 I226 M228 H257 K258 R263 M264 W265 I289 H292 M293 | M193-F261 HydrophobicContact CE-CB 4.4Å; M193-F261 HydrophobicContact CE-CD2 4.17Å; M193-F261 HydrophobicContact SD-CB 4.02Å; I226-F261 HydrophobicContact CG2-CD2 4.38Å; I226-F261 HydrophobicContact CG2-CE2 4.42Å; M228-F261 HydrophobicContact CE-CB 4.02Å; M228-F261 HydrophobicContact CE-CG 4.34Å; M228-F261 HydrophobicContact CG-CD2 3.69Å; M228-F261 HydrophobicContact CG-CE2 3.74Å; M228-F261 HydrophobicContact CG-CG 4.1Å; M228-F261 HydrophobicContact CG-CZ 4.22Å; M228-F261 HydrophobicContact SD-CB 4.14Å; M228-F261 HydrophobicContact SD-CD2 3.84Å; M228-F261 HydrophobicContact SD-CE2 4.46Å; M228-F261 HydrophobicContact SD-CG 4.13Å; H257-F261 WeakPolarHBondContact O-CB 3.48Å; H257-F261 PolarHBondContact O-N 3.03Å; K258-F261 PolarHBondContact O-N 3.48Å; F261-R263 PolarHBondContact O-N 3.22Å; F261-M264 HydrophobicContact CD2-CE 3.84Å; F261-M264 HydrophobicContact CE2-CE 4.18Å; F261-M264 WeakPolarHBondContact O-CB 3.32Å; F261-M264 PolarHBondContact O-N 3.43Å; F261-W265 AromaticContact CD1-CD1 3.72Å; F261-W265 AromaticContact CD2-CD1 3.97Å; F261-W265 AromaticContact CD2-NE1 3.82Å; F261-W265 AromaticContact CE1-CD1 3.46Å; F261-W265 VanDerWaalsContact CE1-CD1 3.46Å; F261-W265 AromaticContact CE1-NE1 3.48Å; F261-W265 AromaticContact CE2-CD1 3.75Å; F261-W265 AromaticContact CE2-NE1 3.18Å; F261-W265 AromaticContact CG-CD1 3.98Å; F261-W265 AromaticContact CZ-CD1 3.51Å; F261-W265 AromaticContact CZ-NE1 2.99Å; F261-W265 VanDerWaalsContact O-CD1 3.31Å; F261-W265 PolarHBondContact O-N 2.97Å; F261-I289 HydrophobicContact CE1-CG2 4.22Å; F261-H292 HydrophobicContact CD1-CB 4.14Å; F261-H292 HydrophobicContact CE1-CB 3.92Å; F261-H292 HydrophobicContact CZ-CB 4.45Å; F261-M293 HydrophobicContact CD1-CG 4.34Å |
| 262 | E | 91 | Very high | 86.7 | Confident | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.6 | -50.3 | 175.3 | 178.8 | -171.9 | 119.4 | 0 | 0 | 111.8 | K258 M264 W265 L266 M293 S294 K295 L298 | K258-E262 WeakPolarHBondContact O-CB 3.23Å; K258-E262 PolarHBondContact O-N 3.34Å; E262-M264 VanDerWaalsContact C-N 3.3Å; E262-M264 PolarHBondContact O-N 3.37Å; E262-W265 PolarHBondContact O-N 2.9Å; E262-L266 HydrophobicContact CG-CD1 3.83Å; E262-L266 HydrophobicContact CG-CG 4.39Å; E262-L266 WeakPolarHBondContact O-CB 3.41Å; E262-L266 VanDerWaalsContact O-CG 3.32Å; E262-L266 WeakPolarHBondContact O-CG 2.95Å; E262-L266 PolarHBondContact O-N 3.23Å; E262-M293 HydrophobicContact CB-CB 4.49Å; E262-M293 HydrophobicContact CB-CG 4.26Å; E262-M293 HydrophobicContact CG-CG 4.46Å; E262-S294 WeakPolarHBondContact OE2-CA 3.38Å; E262-S294 WeakPolarHBondContact OE2-CB 3.49Å; E262-S294 PolarHBondContact OE2-N 3.32Å; E262-S294 VanDerWaalsContact OE2-N 3.12Å; E262-S294 PolarHBondContact OE2-OG 3.39Å; E262-K295 PolarHBondContact OE2-N 3.08Å; E262-L298 WeakPolarHBondContact OE1-CD1 3.4Å |
| 263 | R | 90.3 | Very high | 87.4 | Confident | 110 Ų | 110 | 49 Ų | 49 | 42% | 0.415 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.2 | -34.8 | -179.6 | -74.4 | 173 | 169.2 | -169.8 | -9.3 | 112.9 | R259 A260 F261 G267 | R259-R263 WeakPolarHBondContact O-CB 3.5Å; R259-R263 VanDerWaalsContact O-CG 3.29Å; R259-R263 WeakPolarHBondContact O-CG 3.28Å; R259-R263 PolarHBondContact O-N 3.09Å; R259-R263 VanDerWaalsContact O-N 3.13Å; A260-R263 PolarHBondContact O-N 3.39Å; F261-R263 PolarHBondContact O-N 3.22Å; R263-G267 PolarHBondContact O-N 3.17Å |
| 264 | M | 92 | Very high | 87.7 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -51.7 | 175.5 | -179.4 | -167.9 | 65.3 | 0 | 0 | 110.3 | M193 I196 M223 I226 A260 F261 E262 G267 F268 | M193-M264 HydrophobicContact CB-SD 4.03Å; M193-M264 HydrophobicContact CG-CE 4.38Å; M193-M264 HydrophobicContact CG-SD 3.89Å; I196-M264 HydrophobicContact CB-CG 4.21Å; I196-M264 HydrophobicContact CB-SD 4.24Å; I196-M264 HydrophobicContact CD1-SD 3.88Å; I196-M264 HydrophobicContact CG2-CG 3.87Å; I196-M264 HydrophobicContact CG2-SD 4.16Å; M223-M264 HydrophobicContact CB-CE 4.38Å; M223-M264 HydrophobicContact CE-CE 3.87Å; M223-M264 HydrophobicContact CE-CG 4.02Å; M223-M264 HydrophobicContact CE-SD 4.37Å; M223-M264 HydrophobicContact CG-CE 3.99Å; M223-M264 HydrophobicContact CG-CG 4.45Å; M223-M264 HydrophobicContact CG-SD 3.91Å; M223-M264 HydrophobicContact SD-CG 4.38Å; I226-M264 HydrophobicContact CD1-CE 4Å; I226-M264 HydrophobicContact CD1-SD 3.87Å; A260-M264 WeakPolarHBondContact O-CB 3.38Å; A260-M264 PolarHBondContact O-N 3.33Å; F261-M264 HydrophobicContact CD2-CE 3.84Å; F261-M264 HydrophobicContact CE2-CE 4.18Å; F261-M264 WeakPolarHBondContact O-CB 3.32Å; F261-M264 PolarHBondContact O-N 3.43Å; E262-M264 VanDerWaalsContact C-N 3.3Å; E262-M264 PolarHBondContact O-N 3.37Å; M264-G267 PolarHBondContact O-N 3.26Å; M264-F268 PolarHBondContact O-N 3.13Å |
| 265 | W | 91.8 | Very high | 87.9 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 178 | -81.7 | 104.7 | 0 | 0 | 0 | 112.7 | F220 M223 L224 F261 E262 G267 F268 L269 I281 I289 M293 | F220-W265 HydrophobicContact CD2-CH2 4.33Å; F220-W265 HydrophobicContact CD2-CZ3 4.49Å; F220-W265 HydrophobicContact CE2-CH2 4.12Å; F220-W265 HydrophobicContact CE2-CZ3 4.4Å; M223-W265 HydrophobicContact CB-CH2 4.19Å; M223-W265 HydrophobicContact CB-CZ2 3.99Å; M223-W265 HydrophobicContact CE-CB 4.35Å; M223-W265 HydrophobicContact CE-CD2 3.26Å; M223-W265 HydrophobicContact CE-CE3 3.35Å; M223-W265 HydrophobicContact CE-CG 3.74Å; M223-W265 HydrophobicContact CE-CH2 4.03Å; M223-W265 HydrophobicContact CE-CZ2 3.97Å; M223-W265 HydrophobicContact CE-CZ3 3.74Å; L224-W265 HydrophobicContact CD2-CH2 4.36Å; F261-W265 AromaticContact CD1-CD1 3.72Å; F261-W265 AromaticContact CD2-CD1 3.97Å; F261-W265 AromaticContact CD2-NE1 3.82Å; F261-W265 AromaticContact CE1-CD1 3.46Å; F261-W265 VanDerWaalsContact CE1-CD1 3.46Å; F261-W265 AromaticContact CE1-NE1 3.48Å; F261-W265 AromaticContact CE2-CD1 3.75Å; F261-W265 AromaticContact CE2-NE1 3.18Å; F261-W265 AromaticContact CG-CD1 3.98Å; F261-W265 AromaticContact CZ-CD1 3.51Å; F261-W265 AromaticContact CZ-NE1 2.99Å; F261-W265 VanDerWaalsContact O-CD1 3.31Å; F261-W265 PolarHBondContact O-N 2.97Å; E262-W265 PolarHBondContact O-N 2.9Å; W265-G267 VanDerWaalsContact C-N 3.29Å; W265-G267 PolarHBondContact O-N 3.4Å; W265-F268 PolarHBondContact O-N 3.21Å; W265-F268 VanDerWaalsContact O-N 3.13Å; W265-L269 WeakPolarHBondContact O-CB 3.02Å; W265-L269 VanDerWaalsContact O-CG 3.26Å; W265-L269 WeakPolarHBondContact O-CG 3.17Å; W265-L269 PolarHBondContact O-N 3.09Å; W265-I281 HydrophobicContact CZ3-CG1 4.37Å; W265-I289 HydrophobicContact CD2-CD1 4.22Å; W265-I289 HydrophobicContact CD2-CG2 4.16Å; W265-I289 HydrophobicContact CE3-CD1 4.11Å; W265-I289 HydrophobicContact CG-CG2 4.15Å; W265-I289 HydrophobicContact CH2-CD1 3.62Å; W265-I289 HydrophobicContact CH2-CG1 4.48Å; W265-I289 HydrophobicContact CZ2-CD1 3.71Å; W265-I289 HydrophobicContact CZ2-CG1 4.1Å; W265-I289 HydrophobicContact CZ3-CD1 3.82Å; W265-M293 HydrophobicContact CB-CE 3.64Å; W265-M293 HydrophobicContact CG-CE 4.05Å |
| 266 | L | 90 | Very high | 88 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.2 | -68.2 | 175.8 | 0 | 0 | 0 | 112 | E262 F268 K270 L298 M299 | E262-L266 HydrophobicContact CG-CD1 3.83Å; E262-L266 HydrophobicContact CG-CG 4.39Å; E262-L266 WeakPolarHBondContact O-CB 3.41Å; E262-L266 VanDerWaalsContact O-CG 3.32Å; E262-L266 WeakPolarHBondContact O-CG 2.95Å; E262-L266 PolarHBondContact O-N 3.23Å; L266-F268 VanDerWaalsContact C-N 3.3Å; L266-F268 PolarHBondContact O-N 3.22Å; L266-K270 WeakPolarHBondContact O-CB 3Å; L266-K270 PolarHBondContact O-N 3.17Å; L266-K270 VanDerWaalsContact O-N 3.16Å; L266-L298 HydrophobicContact CD1-CB 3.96Å; L266-L298 HydrophobicContact CD1-CD1 3.75Å; L266-L298 HydrophobicContact CD2-CB 4.3Å; L266-M299 HydrophobicContact CD2-CE 4.27Å |
| 267 | G | 87.9 | Confident | 88.1 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | R263 M264 W265 Y271 | R263-G267 PolarHBondContact O-N 3.17Å; M264-G267 PolarHBondContact O-N 3.26Å; W265-G267 VanDerWaalsContact C-N 3.29Å; W265-G267 PolarHBondContact O-N 3.4Å; G267-Y271 VanDerWaalsContact O-CD2 3.3Å; G267-Y271 WeakPolarHBondContact O-CD2 3.23Å; G267-Y271 WeakPolarHBondContact O-CE2 3.43Å |
| 268 | F | 89.7 | Confident | 88.2 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.6 | -46.3 | 177.2 | -175.6 | -109.8 | 0 | 0 | 0 | 112.6 | V200 Q216 V219 F220 M223 M264 W265 L266 K270 Y271 L273 M277 I281 | V200-F268 HydrophobicContact CG1-CD2 4.38Å; V200-F268 HydrophobicContact CG2-CD2 4.43Å; Q216-F268 HydrophobicContact CB-CE2 4.48Å; Q216-F268 HydrophobicContact CB-CZ 4.46Å; V219-F268 HydrophobicContact CB-CD2 4.49Å; V219-F268 HydrophobicContact CB-CE2 3.96Å; V219-F268 HydrophobicContact CG1-CD2 3.59Å; V219-F268 HydrophobicContact CG1-CE2 3.52Å; V219-F268 HydrophobicContact CG1-CG 4.48Å; V219-F268 HydrophobicContact CG1-CZ 4.35Å; F220-F268 HydrophobicContact CB-CZ 4.2Å; F220-F268 HydrophobicContact CD2-CE1 4.39Å; M223-F268 HydrophobicContact CE-CB 3.93Å; M223-F268 HydrophobicContact CE-CD1 4.27Å; M223-F268 HydrophobicContact CE-CG 4.22Å; M223-F268 HydrophobicContact SD-CB 4Å; M223-F268 HydrophobicContact SD-CD1 4.14Å; M223-F268 HydrophobicContact SD-CD2 4.21Å; M223-F268 HydrophobicContact SD-CG 3.86Å; M264-F268 PolarHBondContact O-N 3.13Å; W265-F268 PolarHBondContact O-N 3.21Å; W265-F268 VanDerWaalsContact O-N 3.13Å; L266-F268 VanDerWaalsContact C-N 3.3Å; L266-F268 PolarHBondContact O-N 3.22Å; F268-K270 PolarHBondContact O-N 2.66Å; F268-Y271 PolarHBondContact O-N 3.48Å; F268-L273 HydrophobicContact CD1-CD1 4.44Å; F268-L273 HydrophobicContact CD1-CD2 4.32Å; F268-L273 HydrophobicContact CE1-CD1 4.08Å; F268-L273 HydrophobicContact CE1-CD2 3.7Å; F268-L273 HydrophobicContact CE2-CD2 4.21Å; F268-L273 HydrophobicContact CZ-CD2 3.64Å; F268-M277 HydrophobicContact CE1-SD 3.99Å; F268-M277 HydrophobicContact CZ-SD 3.68Å; F268-I281 HydrophobicContact CE1-CD1 4.25Å |
| 269 | L | 88.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.094 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.6 | -17.3 | -178.1 | -65.2 | 176.4 | 0 | 0 | 0 | 113.7 | W265 Y271 L273 I281 M299 F302 | W265-L269 WeakPolarHBondContact O-CB 3.02Å; W265-L269 VanDerWaalsContact O-CG 3.26Å; W265-L269 WeakPolarHBondContact O-CG 3.17Å; W265-L269 PolarHBondContact O-N 3.09Å; L269-Y271 PolarHBondContact O-N 2.85Å; L269-L273 HydrophobicContact CD2-CD1 3.9Å; L269-I281 HydrophobicContact CD2-CD1 3.99Å; L269-I281 HydrophobicContact CD2-CG2 4.19Å; L269-M299 HydrophobicContact CD1-CE 3.63Å; L269-M299 HydrophobicContact CD1-SD 3.55Å; L269-M299 VanDerWaalsContact CD1-SD 3.55Å; L269-F302 HydrophobicContact CB-CD2 4.22Å; L269-F302 HydrophobicContact CB-CE2 4.27Å; L269-F302 HydrophobicContact CD1-CD1 4.42Å; L269-F302 HydrophobicContact CD1-CD2 4.39Å; L269-F302 HydrophobicContact CD1-CE1 4.46Å; L269-F302 HydrophobicContact CD1-CE2 4.4Å; L269-F302 HydrophobicContact CD1-CG 4.39Å; L269-F302 HydrophobicContact CD1-CZ 4.46Å; L269-F302 HydrophobicContact CD2-CE2 3.82Å; L269-F302 HydrophobicContact CD2-CZ 3.89Å; L269-F302 HydrophobicContact CG-CE2 4.38Å |
| 270 | K | 87.8 | Confident | 88.2 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 72% | 0.717 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -28.5 | 174.4 | -176.7 | 179.1 | 177.8 | -175.5 | 0 | 113.1 | L266 F268 | L266-K270 WeakPolarHBondContact O-CB 3Å; L266-K270 PolarHBondContact O-N 3.17Å; L266-K270 VanDerWaalsContact O-N 3.16Å; F268-K270 PolarHBondContact O-N 2.66Å |
| 271 | Y | 87 | Confident | 88.4 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -96.4 | 159.3 | -175.5 | -57.9 | -76.3 | 0 | 0 | 0 | 112 | V200 M204 G267 F268 L269 L273 | V200-Y271 HydrophobicContact CG1-CD2 4.06Å; V200-Y271 HydrophobicContact CG1-CE2 3.84Å; M204-Y271 HydrophobicContact CB-CD1 3.72Å; M204-Y271 HydrophobicContact CB-CD2 4.01Å; M204-Y271 HydrophobicContact CB-CE1 3.45Å; M204-Y271 VanDerWaalsContact CB-CE1 3.45Å; M204-Y271 HydrophobicContact CB-CE2 3.75Å; M204-Y271 HydrophobicContact CB-CG 3.99Å; M204-Y271 VanDerWaalsContact CB-CZ 3.47Å; M204-Y271 HydrophobicContact CE-CD1 4.01Å; M204-Y271 HydrophobicContact CE-CD2 4.4Å; M204-Y271 HydrophobicContact CE-CG 3.73Å; M204-Y271 HydrophobicContact CG-CD1 4.26Å; M204-Y271 HydrophobicContact CG-CD2 3.88Å; M204-Y271 HydrophobicContact CG-CE1 4.36Å; M204-Y271 HydrophobicContact CG-CE2 3.97Å; M204-Y271 HydrophobicContact CG-CG 4.02Å; G267-Y271 VanDerWaalsContact O-CD2 3.3Å; G267-Y271 WeakPolarHBondContact O-CD2 3.23Å; G267-Y271 WeakPolarHBondContact O-CE2 3.43Å; F268-Y271 PolarHBondContact O-N 3.48Å; L269-Y271 PolarHBondContact O-N 2.85Å; Y271-L273 PolarHBondContact O-N 2.94Å |
| 272 | K | 83.6 | Confident | 88.3 | Confident | 167 Ų | 167 | 52.6 Ų | 52.6 | 73% | 0.726 | 25% | 0.254 | S | S | * | . | trans | -66.7 | 126.2 | 176.9 | -67.8 | -171.8 | 177.1 | -175.2 | 0 | 110.4 | V211 Q216 | V211-K272 HydrophobicContact CG2-CB 4.25Å; Q216-K272 PolarHBondContact NE2-O 2.69Å | ||
| 273 | L | 85.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | trans | -108.7 | 151.1 | -178.6 | -60.9 | 176.1 | 0 | 0 | 0 | 111.4 | F268 L269 Y271 M277 Y278 I281 | F268-L273 HydrophobicContact CD1-CD1 4.44Å; F268-L273 HydrophobicContact CD1-CD2 4.32Å; F268-L273 HydrophobicContact CE1-CD1 4.08Å; F268-L273 HydrophobicContact CE1-CD2 3.7Å; F268-L273 HydrophobicContact CE2-CD2 4.21Å; F268-L273 HydrophobicContact CZ-CD2 3.64Å; L269-L273 HydrophobicContact CD2-CD1 3.9Å; Y271-L273 PolarHBondContact O-N 2.94Å; L273-M277 HydrophobicContact CD2-SD 4.04Å; L273-Y278 HydrophobicContact CD1-CD2 4.48Å; L273-I281 HydrophobicContact CD1-CD1 3.54Å | ||
| 274 | P | 86.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -61.4 | 142.7 | 170 | -20.9 | 32.5 | 0 | 0 | 0 | 112.1 | V211 S276 M277 Y278 | V211-P274 HydrophobicContact CG1-CG 3.95Å; P274-S276 PolarHBondContact O-N 3.15Å; P274-S276 VanDerWaalsContact O-N 3.15Å; P274-M277 WeakPolarHBondContact O-CB 3.29Å; P274-M277 PolarHBondContact O-N 3.42Å; P274-Y278 PolarHBondContact O-N 3.25Å | ||
| 275 | N | 85.2 | Confident | 88 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -56.7 | -34.2 | -177.3 | -72.6 | -11.8 | 0 | 0 | 0 | 113.9 | K279 | N275-K279 WeakPolarHBondContact O-CG 3.46Å; N275-K279 PolarHBondContact O-N 2.72Å |
| 276 | S | 85.9 | Confident | 87.7 | Confident | 82 Ų | 82 | 51.3 Ų | 51.3 | 57% | 0.573 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 177.3 | 54 | 0 | 0 | 0 | 0 | 112 | P274 K280 | P274-S276 PolarHBondContact O-N 3.15Å; P274-S276 VanDerWaalsContact O-N 3.15Å; S276-K280 WeakPolarHBondContact O-CG 3.45Å; S276-K280 PolarHBondContact O-N 2.76Å |
| 277 | M | 86.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.8 | -41.5 | 177.7 | -174.2 | -178.7 | -68.1 | 0 | 0 | 111.3 | Q216 F220 F268 L273 P274 K279 K280 I281 | Q216-M277 VanDerWaalsContact C-CE 3.45Å; Q216-M277 HydrophobicContact CB-CE 3.95Å; Q216-M277 HydrophobicContact CB-SD 4.35Å; Q216-M277 VanDerWaalsContact O-CE 3.31Å; Q216-M277 WeakPolarHBondContact O-CE 3.25Å; F220-M277 HydrophobicContact CB-CE 3.81Å; F220-M277 HydrophobicContact CB-CG 4.37Å; F220-M277 HydrophobicContact CB-SD 3.89Å; F220-M277 HydrophobicContact CD1-CE 4.37Å; F220-M277 HydrophobicContact CD1-CG 3.95Å; F220-M277 HydrophobicContact CD2-CG 4.16Å; F220-M277 HydrophobicContact CD2-SD 4.49Å; F220-M277 HydrophobicContact CE1-CG 4.24Å; F220-M277 HydrophobicContact CE2-CG 4.48Å; F220-M277 HydrophobicContact CG-CE 4.24Å; F220-M277 HydrophobicContact CG-CG 3.88Å; F220-M277 HydrophobicContact CG-SD 4.06Å; F220-M277 HydrophobicContact CZ-CG 4.49Å; F268-M277 HydrophobicContact CE1-SD 3.99Å; F268-M277 HydrophobicContact CZ-SD 3.68Å; L273-M277 HydrophobicContact CD2-SD 4.04Å; P274-M277 WeakPolarHBondContact O-CB 3.29Å; P274-M277 PolarHBondContact O-N 3.42Å; M277-K279 VanDerWaalsContact C-N 3.3Å; M277-K279 PolarHBondContact O-N 3.02Å; M277-K280 WeakPolarHBondContact O-CB 3.41Å; M277-K280 PolarHBondContact O-N 2.75Å; M277-K280 VanDerWaalsContact O-N 3.08Å; M277-I281 HydrophobicContact CG-CD1 3.97Å; M277-I281 HydrophobicContact CG-CG1 4.47Å; M277-I281 WeakPolarHBondContact O-CG1 3.3Å; M277-I281 PolarHBondContact O-N 3.33Å |
| 278 | Y | 87.8 | Confident | 87.3 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55 | -46.1 | 176.7 | -160.5 | -98.8 | 0 | 0 | 0 | 112 | L273 P274 I281 L282 F302 A306 I313 | L273-Y278 HydrophobicContact CD1-CD2 4.48Å; P274-Y278 PolarHBondContact O-N 3.25Å; Y278-I281 PolarHBondContact O-N 2.9Å; Y278-L282 HydrophobicContact CD1-CD1 3.85Å; Y278-L282 HydrophobicContact CE1-CD1 3.71Å; Y278-L282 HydrophobicContact CE1-CG 4.43Å; Y278-L282 WeakPolarHBondContact O-CG 3.48Å; Y278-L282 PolarHBondContact O-N 3.41Å; Y278-L282 VanDerWaalsContact O-N 3.12Å; Y278-F302 HydrophobicContact CD2-CE2 4.29Å; Y278-F302 HydrophobicContact CD2-CZ 4.21Å; Y278-F302 HydrophobicContact CE2-CD2 4.46Å; Y278-F302 AromaticContact CE2-CE2 3.35Å; Y278-F302 HydrophobicContact CE2-CE2 3.35Å; Y278-F302 AromaticContact CE2-CZ 3.47Å; Y278-F302 HydrophobicContact CE2-CZ 3.47Å; Y278-F302 VanDerWaalsContact CE2-CZ 3.47Å; Y278-F302 AromaticContact CZ-CE2 3.82Å; Y278-F302 AromaticContact CZ-CZ 3.71Å; Y278-A306 HydrophobicContact CE1-CB 3.97Å; Y278-A306 WeakPolarHBondContact OH-CA 3.32Å; Y278-A306 WeakPolarHBondContact OH-CB 3.42Å; Y278-I313 HydrophobicContact CD1-CD1 4.22Å; Y278-I313 HydrophobicContact CD1-CG2 3.8Å; Y278-I313 HydrophobicContact CE1-CG2 3.43Å; Y278-I313 VanDerWaalsContact CE1-CG2 3.43Å |
| 279 | K | 88.7 | Confident | 87.1 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 174.8 | -69.6 | 176.8 | -176.7 | -178.1 | 0 | 112.5 | N275 M277 L282 V283 I313 L316 | N275-K279 WeakPolarHBondContact O-CG 3.46Å; N275-K279 PolarHBondContact O-N 2.72Å; M277-K279 VanDerWaalsContact C-N 3.3Å; M277-K279 PolarHBondContact O-N 3.02Å; K279-L282 PolarHBondContact O-N 2.89Å; K279-V283 VanDerWaalsContact O-CG2 3.28Å; K279-V283 WeakPolarHBondContact O-CG2 3.36Å; K279-V283 PolarHBondContact O-N 3.11Å; K279-V283 VanDerWaalsContact O-N 3.09Å; K279-I313 HydrophobicContact CG-CG1 4.28Å; K279-L316 HydrophobicContact CB-CD1 4.18Å; K279-L316 HydrophobicContact CG-CD1 4.32Å |
| 280 | K | 89.1 | Confident | 87 | Confident | 132 Ų | 132 | 54 Ų | 54 | 57% | 0.574 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 177.8 | -72.7 | 179.6 | -179.6 | -173.8 | 0 | 111.9 | F220 S276 M277 V283 V284 | F220-K280 HydrophobicContact CE1-CB 4.01Å; F220-K280 HydrophobicContact CE1-CD 4.05Å; F220-K280 HydrophobicContact CZ-CB 3.88Å; S276-K280 WeakPolarHBondContact O-CG 3.45Å; S276-K280 PolarHBondContact O-N 2.76Å; M277-K280 WeakPolarHBondContact O-CB 3.41Å; M277-K280 PolarHBondContact O-N 2.75Å; M277-K280 VanDerWaalsContact O-N 3.08Å; K280-V283 PolarHBondContact O-N 3.12Å; K280-V284 WeakPolarHBondContact O-CG2 3.38Å; K280-V284 PolarHBondContact O-N 2.54Å |
| 281 | I | 90.6 | Very high | 87 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -52.4 | 175.9 | -68.9 | 162.9 | 0 | 0 | 0 | 109.9 | F220 W265 F268 L269 L273 M277 Y278 V283 V284 L285 I289 | F220-I281 HydrophobicContact CD2-CD1 4.3Å; F220-I281 HydrophobicContact CD2-CG1 4Å; F220-I281 HydrophobicContact CE2-CD1 4.07Å; F220-I281 HydrophobicContact CE2-CG1 3.29Å; F220-I281 HydrophobicContact CZ-CG1 3.85Å; W265-I281 HydrophobicContact CZ3-CG1 4.37Å; F268-I281 HydrophobicContact CE1-CD1 4.25Å; L269-I281 HydrophobicContact CD2-CD1 3.99Å; L269-I281 HydrophobicContact CD2-CG2 4.19Å; L273-I281 HydrophobicContact CD1-CD1 3.54Å; M277-I281 HydrophobicContact CG-CD1 3.97Å; M277-I281 HydrophobicContact CG-CG1 4.47Å; M277-I281 WeakPolarHBondContact O-CG1 3.3Å; M277-I281 PolarHBondContact O-N 3.33Å; Y278-I281 PolarHBondContact O-N 2.9Å; I281-V283 VanDerWaalsContact C-N 3.28Å; I281-V283 PolarHBondContact O-N 3.43Å; I281-V284 PolarHBondContact O-N 2.97Å; I281-V284 VanDerWaalsContact O-N 3.07Å; I281-L285 HydrophobicContact CG2-CD1 4.45Å; I281-L285 WeakPolarHBondContact O-CB 3.45Å; I281-L285 PolarHBondContact O-N 3.5Å; I281-I289 HydrophobicContact CG2-CD1 4.37Å |
| 282 | L | 88.6 | Confident | 87 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -33.2 | -177.7 | -66.9 | 172.5 | 0 | 0 | 0 | 113.3 | Y278 K279 V284 L285 F302 L303 A306 I313 L316 A317 | Y278-L282 HydrophobicContact CD1-CD1 3.85Å; Y278-L282 HydrophobicContact CE1-CD1 3.71Å; Y278-L282 HydrophobicContact CE1-CG 4.43Å; Y278-L282 WeakPolarHBondContact O-CG 3.48Å; Y278-L282 PolarHBondContact O-N 3.41Å; Y278-L282 VanDerWaalsContact O-N 3.12Å; K279-L282 PolarHBondContact O-N 2.89Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-V284 PolarHBondContact O-N 3.2Å; L282-L285 HydrophobicContact CD2-CD2 4.34Å; L282-F302 HydrophobicContact CD2-CE1 3.83Å; L282-F302 HydrophobicContact CD2-CZ 4.43Å; L282-L303 HydrophobicContact CD2-CD2 4.05Å; L282-A306 HydrophobicContact CD1-CB 4.33Å; L282-A306 HydrophobicContact CD2-CB 4.26Å; L282-I313 HydrophobicContact CD1-CG2 3.66Å; L282-L316 HydrophobicContact CB-CB 3.67Å; L282-L316 HydrophobicContact CB-CD1 4.4Å; L282-L316 HydrophobicContact CD1-CB 4.1Å; L282-A317 HydrophobicContact CD2-CB 4.3Å |
| 283 | V | 89.3 | Confident | 87 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 175.2 | 167.9 | 0 | 0 | 0 | 0 | 111.8 | K279 K280 I281 H286 L316 Y352 | K279-V283 VanDerWaalsContact O-CG2 3.28Å; K279-V283 WeakPolarHBondContact O-CG2 3.36Å; K279-V283 PolarHBondContact O-N 3.11Å; K279-V283 VanDerWaalsContact O-N 3.09Å; K280-V283 PolarHBondContact O-N 3.12Å; I281-V283 VanDerWaalsContact C-N 3.28Å; I281-V283 PolarHBondContact O-N 3.43Å; V283-H286 PolarHBondContact O-CE1 3.14Å; V283-H286 PolarHBondContact O-ND1 3.3Å; V283-H286 VanDerWaalsContact O-ND1 3.17Å; V283-L316 HydrophobicContact CG2-CD1 4.05Å; V283-L316 HydrophobicContact CG2-CD2 3.58Å; V283-L316 HydrophobicContact CG2-CG 4.45Å; V283-Y352 HydrophobicContact CG2-CE1 3.79Å |
| 284 | V | 88.9 | Confident | 87.1 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -97.8 | -15.6 | -171.7 | 175.9 | 0 | 0 | 0 | 0 | 112 | L224 K280 I281 L282 H286 D287 S288 | L224-V284 HydrophobicContact CD2-CG1 4.15Å; K280-V284 WeakPolarHBondContact O-CG2 3.38Å; K280-V284 PolarHBondContact O-N 2.54Å; I281-V284 PolarHBondContact O-N 2.97Å; I281-V284 VanDerWaalsContact O-N 3.07Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-V284 PolarHBondContact O-N 3.2Å; V284-H286 PolarHBondContact O-N 3.36Å; V284-D287 PolarHBondContact O-N 3.04Å; V284-S288 WeakPolarHBondContact CG1-OG 3.34Å; V284-S288 PolarHBondContact O-N 3.35Å; V284-S288 PolarHBondContact O-OG 3.24Å |
| 285 | L | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -54.3 | -50 | -173 | -171.6 | 78.5 | 0 | 0 | 0 | 113.8 | I281 L282 I289 L290 M299 L303 | I281-L285 HydrophobicContact CG2-CD1 4.45Å; I281-L285 WeakPolarHBondContact O-CB 3.45Å; I281-L285 PolarHBondContact O-N 3.5Å; L282-L285 HydrophobicContact CD2-CD2 4.34Å; L285-I289 HydrophobicContact CD1-CB 3.96Å; L285-I289 HydrophobicContact CD1-CD1 3.98Å; L285-I289 HydrophobicContact CD1-CG2 3.92Å; L285-I289 WeakPolarHBondContact O-CB 3.5Å; L285-I289 PolarHBondContact O-N 2.91Å; L285-I289 VanDerWaalsContact O-N 3.15Å; L285-L290 HydrophobicContact CG-CD1 4.49Å; L285-L290 HydrophobicContact CG-CD2 4.43Å; L285-L290 HydrophobicContact CG-CG 4.14Å; L285-L290 WeakPolarHBondContact O-CG 3.32Å; L285-L290 PolarHBondContact O-N 2.84Å; L285-M299 HydrophobicContact CD1-CE 4.34Å; L285-M299 HydrophobicContact CD1-CG 4.43Å; L285-M299 HydrophobicContact CD1-SD 4.42Å; L285-M299 HydrophobicContact CD2-CG 4.37Å; L285-L303 HydrophobicContact CD2-CD1 4.08Å; L285-L303 HydrophobicContact CD2-CD2 3.54Å; L285-L303 HydrophobicContact CD2-CG 4.01Å |
| 286 | H | 85.4 | Confident | 87.2 | Confident | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.111 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -67 | -39.3 | -175.3 | 68 | -61.8 | 0 | 0 | 0 | 113.8 | V283 V284 P291 N319 V323 | V283-H286 PolarHBondContact O-CE1 3.14Å; V283-H286 PolarHBondContact O-ND1 3.3Å; V283-H286 VanDerWaalsContact O-ND1 3.17Å; V284-H286 PolarHBondContact O-N 3.36Å; H286-P291 WeakPolarHBondContact O-CD 3.2Å; H286-N319 PolarHBondContact CD2-ND2 3.09Å; H286-N319 PolarHBondContact CE1-ND2 3.27Å; H286-N319 VanDerWaalsContact CE1-ND2 3.27Å; H286-N319 VanDerWaalsContact CG-ND2 3.27Å; H286-N319 PolarHBondContact ND1-ND2 3.08Å; H286-N319 PolarHBondContact NE2-ND2 3.39Å; H286-V323 HydrophobicContact CB-CG2 4.03Å |
| 287 | D | 84.8 | Confident | 87.3 | Confident | 107 Ų | 107 | 40.9 Ų | 40.9 | 57% | 0.572 | 21% | 0.212 | S | C | * | . | I | π-helix | trans | -85.9 | -40.7 | -174.5 | -67.2 | -29.1 | 0 | 0 | 0 | 112.9 | V284 | V284-D287 PolarHBondContact O-N 3.04Å |
| 288 | S | 84.1 | Confident | 87.4 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -121.7 | -6.3 | -169.3 | 84.9 | 0 | 0 | 0 | 0 | 115.4 | V284 H292 | V284-S288 WeakPolarHBondContact CG1-OG 3.34Å; V284-S288 PolarHBondContact O-N 3.35Å; V284-S288 PolarHBondContact O-OG 3.24Å; S288-H292 PolarHBondContact O-CD2 3.39Å; S288-H292 VanDerWaalsContact O-CD2 3.27Å |
| 289 | I | 87 | Confident | 87.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -109.2 | -56 | -179.7 | -54.4 | -178.9 | 0 | 0 | 0 | 110.5 | F261 W265 I281 L285 H292 M293 | F261-I289 HydrophobicContact CE1-CG2 4.22Å; W265-I289 HydrophobicContact CD2-CD1 4.22Å; W265-I289 HydrophobicContact CD2-CG2 4.16Å; W265-I289 HydrophobicContact CE3-CD1 4.11Å; W265-I289 HydrophobicContact CG-CG2 4.15Å; W265-I289 HydrophobicContact CH2-CD1 3.62Å; W265-I289 HydrophobicContact CH2-CG1 4.48Å; W265-I289 HydrophobicContact CZ2-CD1 3.71Å; W265-I289 HydrophobicContact CZ2-CG1 4.1Å; W265-I289 HydrophobicContact CZ3-CD1 3.82Å; I281-I289 HydrophobicContact CG2-CD1 4.37Å; L285-I289 HydrophobicContact CD1-CB 3.96Å; L285-I289 HydrophobicContact CD1-CD1 3.98Å; L285-I289 HydrophobicContact CD1-CG2 3.92Å; L285-I289 WeakPolarHBondContact O-CB 3.5Å; L285-I289 PolarHBondContact O-N 2.91Å; L285-I289 VanDerWaalsContact O-N 3.15Å; I289-H292 PolarHBondContact O-N 3.44Å; I289-M293 HydrophobicContact CG2-CE 3.29Å; I289-M293 HydrophobicContact CG2-SD 4.23Å; I289-M293 PolarHBondContact O-N 2.59Å |
| 290 | L | 86.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -58.8 | -43.5 | -177 | -65.7 | 178.3 | 0 | 0 | 0 | 113.7 | L285 H292 M293 P296 M299 V323 L324 | L285-L290 HydrophobicContact CG-CD1 4.49Å; L285-L290 HydrophobicContact CG-CD2 4.43Å; L285-L290 HydrophobicContact CG-CG 4.14Å; L285-L290 WeakPolarHBondContact O-CG 3.32Å; L285-L290 PolarHBondContact O-N 2.84Å; L290-H292 PolarHBondContact O-N 3.49Å; L290-H292 VanDerWaalsContact O-N 3.16Å; L290-M293 HydrophobicContact CD2-SD 4.38Å; L290-M293 PolarHBondContact O-N 3.33Å; L290-P296 HydrophobicContact CD2-CB 4.26Å; L290-P296 WeakPolarHBondContact O-CG 3.4Å; L290-M299 HydrophobicContact CD2-CB 4.14Å; L290-M299 HydrophobicContact CD2-CG 4.21Å; L290-V323 HydrophobicContact CB-CG1 4.41Å; L290-V323 HydrophobicContact CD1-CB 3.93Å; L290-V323 HydrophobicContact CD1-CG1 3.87Å; L290-L324 HydrophobicContact CD2-CD2 4.38Å |
| 291 | P | 86.8 | Confident | 87.5 | Confident | 60 Ų | 60 | 41 Ų | 41 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -64.1 | -24.2 | -176.7 | -25.2 | 37.2 | 0 | 0 | 0 | 114.2 | H286 | H286-P291 WeakPolarHBondContact O-CD 3.2Š|
| 292 | H | 86.2 | Confident | 87.4 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -99.7 | 0.1 | -176 | -56.6 | -59 | 0 | 0 | 0 | 113.6 | M228 K258 F261 S288 I289 L290 | M228-H292 HydrophobicContact CB-CB 3.82Å; M228-H292 VanDerWaalsContact CB-CG 3.47Å; M228-H292 HydrophobicContact CG-CB 3.91Å; K258-H292 WeakPolarHBondContact CB-O 3.33Å; K258-H292 VanDerWaalsContact CG-O 3.32Å; K258-H292 WeakPolarHBondContact CG-O 3.37Å; F261-H292 HydrophobicContact CD1-CB 4.14Å; F261-H292 HydrophobicContact CE1-CB 3.92Å; F261-H292 HydrophobicContact CZ-CB 4.45Å; S288-H292 PolarHBondContact O-CD2 3.39Å; S288-H292 VanDerWaalsContact O-CD2 3.27Å; I289-H292 PolarHBondContact O-N 3.44Å; L290-H292 PolarHBondContact O-N 3.49Å; L290-H292 VanDerWaalsContact O-N 3.16Å |
| 293 | M | 85.3 | Confident | 87.5 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | trans | -79.3 | 147.6 | 173.6 | -74.9 | 178.1 | 170.7 | 0 | 0 | 111.5 | F261 E262 W265 I289 L290 P296 M299 | F261-M293 HydrophobicContact CD1-CG 4.34Å; E262-M293 HydrophobicContact CB-CB 4.49Å; E262-M293 HydrophobicContact CB-CG 4.26Å; E262-M293 HydrophobicContact CG-CG 4.46Å; W265-M293 HydrophobicContact CB-CE 3.64Å; W265-M293 HydrophobicContact CG-CE 4.05Å; I289-M293 HydrophobicContact CG2-CE 3.29Å; I289-M293 HydrophobicContact CG2-SD 4.23Å; I289-M293 PolarHBondContact O-N 2.59Å; L290-M293 HydrophobicContact CD2-SD 4.38Å; L290-M293 PolarHBondContact O-N 3.33Å; M293-P296 HydrophobicContact CB-CG 4.01Å; M293-M299 HydrophobicContact CE-CE 3.34Å; M293-M299 HydrophobicContact SD-CE 3.75Å | ||
| 294 | S | 86.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -74.4 | -37.2 | 175.9 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | E262 | E262-S294 WeakPolarHBondContact OE2-CA 3.38Å; E262-S294 WeakPolarHBondContact OE2-CB 3.49Å; E262-S294 PolarHBondContact OE2-N 3.32Å; E262-S294 VanDerWaalsContact OE2-N 3.12Å; E262-S294 PolarHBondContact OE2-OG 3.39Å |
| 295 | K | 87.5 | Confident | 87.4 | Confident | 135 Ų | 135 | 42.9 Ų | 42.9 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | trans | -134.5 | 86.9 | 175 | -68.6 | -176 | -179.8 | -174.8 | 0 | 110.3 | E262 T297 L298 | E262-K295 PolarHBondContact OE2-N 3.08Å; K295-T297 PolarHBondContact O-N 3.4Å; K295-T297 VanDerWaalsContact O-N 3.11Å; K295-L298 HydrophobicContact CB-CD1 4.45Å; K295-L298 HydrophobicContact CB-CG 4.47Å; K295-L298 PolarHBondContact O-N 3.38Å | ||
| 296 | P | 87.4 | Confident | 87.4 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -60.4 | -22.2 | -179 | -27.9 | 39.3 | 0 | 0 | 0 | 114.3 | L290 M293 L298 M299 L324 H328 | L290-P296 HydrophobicContact CD2-CB 4.26Å; L290-P296 WeakPolarHBondContact O-CG 3.4Å; M293-P296 HydrophobicContact CB-CG 4.01Å; P296-L298 PolarHBondContact O-N 3.37Å; P296-L298 VanDerWaalsContact O-N 3.13Å; P296-M299 VanDerWaalsContact O-CB 3.29Å; P296-M299 WeakPolarHBondContact O-CB 3.26Å; P296-M299 PolarHBondContact O-N 3.28Å; P296-L324 HydrophobicContact CB-CD2 3.72Å; P296-L324 WeakPolarHBondContact O-CD2 3.4Å; P296-H328 VanDerWaalsContact CG-NE2 3.35Å; P296-H328 WeakPolarHBondContact CG-NE2 3.34Å |
| 297 | T | 87.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 42.2 Ų | 42.2 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -59.3 | -22 | 176.4 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | K295 M299 I300 H328 | K295-T297 PolarHBondContact O-N 3.4Å; K295-T297 VanDerWaalsContact O-N 3.11Å; T297-M299 PolarHBondContact O-N 2.73Å; T297-M299 VanDerWaalsContact O-N 3.09Å; T297-I300 WeakPolarHBondContact O-CD1 3.41Å; T297-I300 WeakPolarHBondContact O-CG1 3.34Å; T297-I300 PolarHBondContact O-N 3.09Å; T297-H328 HydrophobicContact CG2-CB 4.24Å |
| 298 | L | 88.4 | Confident | 87.6 | Confident | 89 Ų | 89 | 41.6 Ų | 41.6 | 47% | 0.466 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -66.7 | -12.3 | 174.8 | -64.8 | 176.4 | 0 | 0 | 0 | 113.4 | E262 L266 K295 P296 I300 | E262-L298 WeakPolarHBondContact OE1-CD1 3.4Å; L266-L298 HydrophobicContact CD1-CB 3.96Å; L266-L298 HydrophobicContact CD1-CD1 3.75Å; L266-L298 HydrophobicContact CD2-CB 4.3Å; K295-L298 HydrophobicContact CB-CD1 4.45Å; K295-L298 HydrophobicContact CB-CG 4.47Å; K295-L298 PolarHBondContact O-N 3.38Å; P296-L298 PolarHBondContact O-N 3.37Å; P296-L298 VanDerWaalsContact O-N 3.13Å; L298-I300 VanDerWaalsContact C-N 3.33Å |
| 299 | M | 88.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -83.2 | -6.4 | 177.2 | -159.3 | 59.6 | 65.7 | 0 | 0 | 113.4 | L266 L269 L285 L290 M293 P296 T297 D301 F302 L303 | L266-M299 HydrophobicContact CD2-CE 4.27Å; L269-M299 HydrophobicContact CD1-CE 3.63Å; L269-M299 HydrophobicContact CD1-SD 3.55Å; L269-M299 VanDerWaalsContact CD1-SD 3.55Å; L285-M299 HydrophobicContact CD1-CE 4.34Å; L285-M299 HydrophobicContact CD1-CG 4.43Å; L285-M299 HydrophobicContact CD1-SD 4.42Å; L285-M299 HydrophobicContact CD2-CG 4.37Å; L290-M299 HydrophobicContact CD2-CB 4.14Å; L290-M299 HydrophobicContact CD2-CG 4.21Å; M293-M299 HydrophobicContact CE-CE 3.34Å; M293-M299 HydrophobicContact SD-CE 3.75Å; P296-M299 VanDerWaalsContact O-CB 3.29Å; P296-M299 WeakPolarHBondContact O-CB 3.26Å; P296-M299 PolarHBondContact O-N 3.28Å; T297-M299 PolarHBondContact O-N 2.73Å; T297-M299 VanDerWaalsContact O-N 3.09Å; M299-D301 PolarHBondContact O-N 3.3Å; M299-F302 HydrophobicContact CG-CB 4.49Å; M299-F302 HydrophobicContact CG-CD1 4.16Å; M299-F302 PolarHBondContact O-N 3.39Å; M299-F302 HydrophobicContact SD-CB 3.77Å; M299-F302 HydrophobicContact SD-CD1 3.49Å; M299-F302 WeakPolarHBondContact SD-CD1 3.27Å; M299-F302 HydrophobicContact SD-CE1 4.34Å; M299-F302 HydrophobicContact SD-CG 3.81Å; M299-L303 HydrophobicContact CB-CD1 4.34Å; M299-L303 HydrophobicContact CG-CD1 3.9Å; M299-L303 HydrophobicContact CG-CG 3.99Å; M299-L303 WeakPolarHBondContact O-CB 3.39Å; M299-L303 PolarHBondContact O-N 2.91Å |
| 300 | I | 88.8 | Confident | 87.4 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.1 | -49.1 | -176.7 | -62.8 | 153.9 | 0 | 0 | 0 | 111.1 | T297 L298 F302 L303 T304 L324 L330 | T297-I300 WeakPolarHBondContact O-CD1 3.41Å; T297-I300 WeakPolarHBondContact O-CG1 3.34Å; T297-I300 PolarHBondContact O-N 3.09Å; L298-I300 VanDerWaalsContact C-N 3.33Å; I300-F302 VanDerWaalsContact C-N 3.28Å; I300-F302 PolarHBondContact O-N 3.3Å; I300-L303 PolarHBondContact O-N 3.42Å; I300-T304 VanDerWaalsContact O-CB 3.23Å; I300-T304 WeakPolarHBondContact O-CB 2.9Å; I300-T304 PolarHBondContact O-N 3.36Å; I300-T304 PolarHBondContact O-OG1 3.28Å; I300-L324 HydrophobicContact CG1-CD1 4.04Å; I300-L330 HydrophobicContact CD1-CD1 3.1Å; I300-L330 HydrophobicContact CD1-CG 4.43Å; I300-L330 HydrophobicContact CG1-CD1 3.45Å; I300-L330 VanDerWaalsContact CG1-CD1 3.45Å; I300-L330 HydrophobicContact CG1-CD2 4.08Å; I300-L330 HydrophobicContact CG1-CG 4.41Å; I300-L330 HydrophobicContact CG2-CD1 4.49Å; I300-L330 HydrophobicContact CG2-CD2 4.35Å |
| 301 | D | 89.3 | Confident | 87.3 | Confident | 133 Ų | 133 | 47 Ų | 47 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | -176.4 | -66.9 | -7.7 | 0 | 0 | 0 | 111.1 | M299 A305 | M299-D301 PolarHBondContact O-N 3.3Å; D301-A305 VanDerWaalsContact O-CB 3.28Å; D301-A305 WeakPolarHBondContact O-CB 3.42Å; D301-A305 PolarHBondContact O-N 2.83Å |
| 302 | F | 90.4 | Very high | 87.1 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 176.5 | 173.2 | -96.3 | 0 | 0 | 0 | 111.9 | L269 Y278 L282 M299 I300 A305 A306 | L269-F302 HydrophobicContact CB-CD2 4.22Å; L269-F302 HydrophobicContact CB-CE2 4.27Å; L269-F302 HydrophobicContact CD1-CD1 4.42Å; L269-F302 HydrophobicContact CD1-CD2 4.39Å; L269-F302 HydrophobicContact CD1-CE1 4.46Å; L269-F302 HydrophobicContact CD1-CE2 4.4Å; L269-F302 HydrophobicContact CD1-CG 4.39Å; L269-F302 HydrophobicContact CD1-CZ 4.46Å; L269-F302 HydrophobicContact CD2-CE2 3.82Å; L269-F302 HydrophobicContact CD2-CZ 3.89Å; L269-F302 HydrophobicContact CG-CE2 4.38Å; Y278-F302 HydrophobicContact CD2-CE2 4.29Å; Y278-F302 HydrophobicContact CD2-CZ 4.21Å; Y278-F302 HydrophobicContact CE2-CD2 4.46Å; Y278-F302 AromaticContact CE2-CE2 3.35Å; Y278-F302 HydrophobicContact CE2-CE2 3.35Å; Y278-F302 AromaticContact CE2-CZ 3.47Å; Y278-F302 HydrophobicContact CE2-CZ 3.47Å; Y278-F302 VanDerWaalsContact CE2-CZ 3.47Å; Y278-F302 AromaticContact CZ-CE2 3.82Å; Y278-F302 AromaticContact CZ-CZ 3.71Å; L282-F302 HydrophobicContact CD2-CE1 3.83Å; L282-F302 HydrophobicContact CD2-CZ 4.43Å; M299-F302 HydrophobicContact CG-CB 4.49Å; M299-F302 HydrophobicContact CG-CD1 4.16Å; M299-F302 PolarHBondContact O-N 3.39Å; M299-F302 HydrophobicContact SD-CB 3.77Å; M299-F302 HydrophobicContact SD-CD1 3.49Å; M299-F302 WeakPolarHBondContact SD-CD1 3.27Å; M299-F302 HydrophobicContact SD-CE1 4.34Å; M299-F302 HydrophobicContact SD-CG 3.81Å; I300-F302 VanDerWaalsContact C-N 3.28Å; I300-F302 PolarHBondContact O-N 3.3Å; F302-A305 PolarHBondContact O-N 3.04Å; F302-A306 WeakPolarHBondContact O-CB 3.46Å; F302-A306 PolarHBondContact O-N 3.35Å |
| 303 | L | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -36 | -179.9 | -82.3 | 169.2 | 0 | 0 | 0 | 112.6 | L282 L285 M299 I300 A306 Y307 A317 L321 L324 | L282-L303 HydrophobicContact CD2-CD2 4.05Å; L285-L303 HydrophobicContact CD2-CD1 4.08Å; L285-L303 HydrophobicContact CD2-CD2 3.54Å; L285-L303 HydrophobicContact CD2-CG 4.01Å; M299-L303 HydrophobicContact CB-CD1 4.34Å; M299-L303 HydrophobicContact CG-CD1 3.9Å; M299-L303 HydrophobicContact CG-CG 3.99Å; M299-L303 WeakPolarHBondContact O-CB 3.39Å; M299-L303 PolarHBondContact O-N 2.91Å; I300-L303 PolarHBondContact O-N 3.42Å; L303-A306 WeakPolarHBondContact O-CB 3.45Å; L303-A306 PolarHBondContact O-N 3.15Å; L303-Y307 WeakPolarHBondContact O-CB 3.47Å; L303-Y307 PolarHBondContact O-N 3.27Å; L303-A317 HydrophobicContact CD2-CB 4.06Å; L303-L321 HydrophobicContact CB-CD2 3.7Å; L303-L321 HydrophobicContact CB-CG 4.04Å; L303-L321 HydrophobicContact CD1-CD2 4.37Å; L303-L324 HydrophobicContact CD1-CD1 3.53Å; L303-L324 HydrophobicContact CD1-CG 4.33Å |
| 304 | T | 88.1 | Confident | 87.2 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 175 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | I300 A306 Y307 D308 Y332 | I300-T304 VanDerWaalsContact O-CB 3.23Å; I300-T304 WeakPolarHBondContact O-CB 2.9Å; I300-T304 PolarHBondContact O-N 3.36Å; I300-T304 PolarHBondContact O-OG1 3.28Å; T304-A306 VanDerWaalsContact C-N 3.32Å; T304-A306 PolarHBondContact O-N 3.15Å; T304-Y307 PolarHBondContact O-N 3.44Å; T304-Y307 VanDerWaalsContact O-N 3.15Å; T304-D308 PolarHBondContact O-N 3.07Å; T304-Y332 HydrophobicContact CG2-CE2 4.08Å |
| 305 | A | 88.6 | Confident | 87.2 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D301 F302 Y307 D308 V309 | D301-A305 VanDerWaalsContact O-CB 3.28Å; D301-A305 WeakPolarHBondContact O-CB 3.42Å; D301-A305 PolarHBondContact O-N 2.83Å; F302-A305 PolarHBondContact O-N 3.04Å; A305-Y307 VanDerWaalsContact C-N 3.29Å; A305-Y307 PolarHBondContact O-N 3.37Å; A305-D308 PolarHBondContact O-N 3.33Å; A305-V309 WeakPolarHBondContact O-CG2 3.14Å; A305-V309 PolarHBondContact O-N 3.38Å |
| 306 | A | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y278 L282 F302 L303 T304 V309 I313 A317 | Y278-A306 HydrophobicContact CE1-CB 3.97Å; Y278-A306 WeakPolarHBondContact OH-CA 3.32Å; Y278-A306 WeakPolarHBondContact OH-CB 3.42Å; L282-A306 HydrophobicContact CD1-CB 4.33Å; L282-A306 HydrophobicContact CD2-CB 4.26Å; F302-A306 WeakPolarHBondContact O-CB 3.46Å; F302-A306 PolarHBondContact O-N 3.35Å; L303-A306 WeakPolarHBondContact O-CB 3.45Å; L303-A306 PolarHBondContact O-N 3.15Å; T304-A306 VanDerWaalsContact C-N 3.32Å; T304-A306 PolarHBondContact O-N 3.15Å; A306-V309 PolarHBondContact O-N 2.93Å; A306-I313 HydrophobicContact CB-CG2 4.33Å; A306-I313 WeakPolarHBondContact O-CG2 3.4Å; A306-A317 HydrophobicContact CB-CB 3.69Å |
| 307 | Y | 87.8 | Confident | 87.4 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.7 | -33.2 | -179.2 | -170.7 | -113.5 | 0 | 0 | 0 | 112.6 | L303 T304 A305 V309 S314 L318 L321 Y332 K338 L339 L342 | L303-Y307 WeakPolarHBondContact O-CB 3.47Å; L303-Y307 PolarHBondContact O-N 3.27Å; T304-Y307 PolarHBondContact O-N 3.44Å; T304-Y307 VanDerWaalsContact O-N 3.15Å; A305-Y307 VanDerWaalsContact C-N 3.29Å; A305-Y307 PolarHBondContact O-N 3.37Å; Y307-V309 VanDerWaalsContact C-N 3.31Å; Y307-V309 PolarHBondContact O-N 2.62Å; Y307-S314 WeakPolarHBondContact CD2-O 3.48Å; Y307-S314 WeakPolarHBondContact O-CB 3.39Å; Y307-S314 PolarHBondContact O-OG 3.07Å; Y307-L318 HydrophobicContact CE2-CB 4.46Å; Y307-L318 HydrophobicContact CE2-CD1 4.06Å; Y307-L321 HydrophobicContact CD1-CD1 4.26Å; Y307-L321 HydrophobicContact CD2-CD1 4.09Å; Y307-L321 HydrophobicContact CG-CD1 3.86Å; Y307-Y332 HydrophobicContact CE1-CE1 4.49Å; Y307-K338 HydrophobicContact CD1-CD 3.86Å; Y307-K338 HydrophobicContact CE1-CB 3.42Å; Y307-K338 VanDerWaalsContact CE1-CB 3.42Å; Y307-K338 HydrophobicContact CE1-CD 3.48Å; Y307-K338 VanDerWaalsContact CE1-CD 3.48Å; Y307-K338 HydrophobicContact CE1-CG 4.1Å; Y307-K338 VanDerWaalsContact OH-C 3.23Å; Y307-K338 WeakPolarHBondContact OH-CB 3.42Å; Y307-K338 PolarHBondContact OH-O 3.42Å; Y307-L339 PolarHBondContact OH-N 3.17Å; Y307-L342 HydrophobicContact CE2-CD2 4.25Å |
| 308 | D | 86.1 | Confident | 87.4 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -77.3 | -12.2 | 177.5 | -67.1 | -26 | 0 | 0 | 0 | 113.6 | T304 A305 G310 K338 | T304-D308 PolarHBondContact O-N 3.07Å; A305-D308 PolarHBondContact O-N 3.33Å; D308-G310 VanDerWaalsContact C-N 3.33Å; D308-G310 PolarHBondContact O-N 3.18Å; D308-K338 IonicContact OD1-NZ 2.73Å; D308-K338 PolarHBondContact OD1-NZ 2.9Å; D308-K338 IonicContact OD2-NZ 3.94Å |
| 309 | V | 85.3 | Confident | 87.3 | Confident | 94 Ų | 94 | 30.7 Ų | 30.7 | 57% | 0.57 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33.5 | 176.6 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | A305 A306 Y307 I313 | A305-V309 WeakPolarHBondContact O-CG2 3.14Å; A305-V309 PolarHBondContact O-N 3.38Å; A306-V309 PolarHBondContact O-N 2.93Å; Y307-V309 VanDerWaalsContact C-N 3.31Å; Y307-V309 PolarHBondContact O-N 2.62Å; V309-I313 HydrophobicContact CB-CG2 4.42Å; V309-I313 HydrophobicContact CG1-CD1 4.08Å |
| 310 | G | 81.3 | Confident | 87.2 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | trans | 90.3 | 165.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D308 S314 | D308-G310 VanDerWaalsContact C-N 3.33Å; D308-G310 PolarHBondContact O-N 3.18Å; G310-S314 VanDerWaalsContact C-OG 3.28Å; G310-S314 WeakPolarHBondContact CA-OG 3.47Å; G310-S314 PolarHBondContact N-OG 3.17Å | ||
| 311 | G | 83.5 | Confident | 87.1 | Confident | 34 Ų | 34 | 28.8 Ų | 28.8 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -141.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I313 S314 L315 | G311-I313 PolarHBondContact O-N 3.07Å; G311-S314 PolarHBondContact O-N 3.03Å; G311-L315 PolarHBondContact O-N 3.12Å |
| 312 | A | 83.2 | Confident | 87 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -24.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L316 V350 | A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 2.87Å; A312-V350 HydrophobicContact CB-CG1 3.94Å |
| 313 | I | 87.4 | Confident | 86.8 | Confident | 19 Ų | 19 | 23.3 Ų | 23.3 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74 | -44.8 | 179.7 | -66.1 | 176.9 | 0 | 0 | 0 | 109.9 | Y278 K279 L282 A306 V309 G311 L315 L316 A317 | Y278-I313 HydrophobicContact CD1-CD1 4.22Å; Y278-I313 HydrophobicContact CD1-CG2 3.8Å; Y278-I313 HydrophobicContact CE1-CG2 3.43Å; Y278-I313 VanDerWaalsContact CE1-CG2 3.43Å; K279-I313 HydrophobicContact CG-CG1 4.28Å; L282-I313 HydrophobicContact CD1-CG2 3.66Å; A306-I313 HydrophobicContact CB-CG2 4.33Å; A306-I313 WeakPolarHBondContact O-CG2 3.4Å; V309-I313 HydrophobicContact CB-CG2 4.42Å; V309-I313 HydrophobicContact CG1-CD1 4.08Å; G311-I313 PolarHBondContact O-N 3.07Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-L315 PolarHBondContact O-N 2.7Å; I313-L316 PolarHBondContact O-N 2.74Å; I313-L316 VanDerWaalsContact O-N 3.15Å; I313-A317 WeakPolarHBondContact O-CB 3.45Å; I313-A317 PolarHBondContact O-N 3.23Å |
| 314 | S | 87 | Confident | 86.6 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | Y307 G310 G311 L316 A317 L318 | Y307-S314 WeakPolarHBondContact CD2-O 3.48Å; Y307-S314 WeakPolarHBondContact O-CB 3.39Å; Y307-S314 PolarHBondContact O-OG 3.07Å; G310-S314 VanDerWaalsContact C-OG 3.28Å; G310-S314 WeakPolarHBondContact CA-OG 3.47Å; G310-S314 PolarHBondContact N-OG 3.17Å; G311-S314 PolarHBondContact O-N 3.03Å; S314-L316 VanDerWaalsContact C-N 3.29Å; S314-L316 PolarHBondContact O-N 3.23Å; S314-A317 PolarHBondContact O-N 3.45Å; S314-L318 PolarHBondContact O-N 3.26Å |
| 315 | L | 86.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.3 | -67.5 | 170.3 | 0 | 0 | 0 | 112.1 | G311 I313 L342 V350 F356 | G311-L315 PolarHBondContact O-N 3.12Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-L315 PolarHBondContact O-N 2.7Å; L315-L342 HydrophobicContact CD2-CD2 3.34Å; L315-L342 HydrophobicContact CD2-CG 3.83Å; L315-L342 HydrophobicContact CG-CD2 4.09Å; L315-L342 HydrophobicContact CG-CG 4.43Å; L315-V350 HydrophobicContact CD1-CB 4.09Å; L315-V350 HydrophobicContact CD1-CG1 3.99Å; L315-V350 HydrophobicContact CD1-CG2 3.89Å; L315-F356 HydrophobicContact CD2-CB 3.88Å; L315-F356 HydrophobicContact CD2-CD1 4.07Å; L315-F356 HydrophobicContact CD2-CD2 3.21Å; L315-F356 HydrophobicContact CD2-CE1 4.47Å; L315-F356 HydrophobicContact CD2-CE2 3.71Å; L315-F356 HydrophobicContact CD2-CG 3.41Å; L315-F356 VanDerWaalsContact CD2-CG 3.41Å; L315-F356 HydrophobicContact CD2-CZ 4.3Å |
| 316 | L | 87.3 | Confident | 86.3 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.6 | -39.5 | 177.3 | -69.5 | 170.7 | 0 | 0 | 0 | 112.1 | K279 L282 V283 A312 I313 S314 L318 N319 Y352 | K279-L316 HydrophobicContact CB-CD1 4.18Å; K279-L316 HydrophobicContact CG-CD1 4.32Å; L282-L316 HydrophobicContact CB-CB 3.67Å; L282-L316 HydrophobicContact CB-CD1 4.4Å; L282-L316 HydrophobicContact CD1-CB 4.1Å; V283-L316 HydrophobicContact CG2-CD1 4.05Å; V283-L316 HydrophobicContact CG2-CD2 3.58Å; V283-L316 HydrophobicContact CG2-CG 4.45Å; A312-L316 WeakPolarHBondContact O-CG 3.35Å; A312-L316 PolarHBondContact O-N 2.87Å; I313-L316 PolarHBondContact O-N 2.74Å; I313-L316 VanDerWaalsContact O-N 3.15Å; S314-L316 VanDerWaalsContact C-N 3.29Å; S314-L316 PolarHBondContact O-N 3.23Å; L316-L318 PolarHBondContact O-N 3.31Å; L316-N319 PolarHBondContact O-N 3.25Å; L316-Y352 HydrophobicContact CD1-CD2 4.19Å; L316-Y352 HydrophobicContact CD1-CE2 3.96Å; L316-Y352 HydrophobicContact CD2-CD1 3.83Å; L316-Y352 HydrophobicContact CD2-CD2 3.79Å; L316-Y352 HydrophobicContact CD2-CE1 4.1Å; L316-Y352 HydrophobicContact CD2-CE2 4.09Å; L316-Y352 HydrophobicContact CD2-CG 3.66Å; L316-Y352 HydrophobicContact CG-CD2 4.09Å; L316-Y352 HydrophobicContact CG-CE2 4.35Å; L316-Y352 HydrophobicContact CG-CG 4.4Å |
| 317 | A | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -31.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L282 L303 A306 I313 S314 N319 G320 L321 | L282-A317 HydrophobicContact CD2-CB 4.3Å; L303-A317 HydrophobicContact CD2-CB 4.06Å; A306-A317 HydrophobicContact CB-CB 3.69Å; I313-A317 WeakPolarHBondContact O-CB 3.45Å; I313-A317 PolarHBondContact O-N 3.23Å; S314-A317 PolarHBondContact O-N 3.45Å; A317-N319 PolarHBondContact O-N 2.82Å; A317-G320 PolarHBondContact O-N 3.06Å; A317-L321 PolarHBondContact O-N 3.17Å |
| 318 | L | 88.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.4 | -35.9 | 178.3 | -173.3 | 67.4 | 0 | 0 | 0 | 112.7 | Y307 S314 L316 L321 F322 F335 L339 F356 L359 F363 | Y307-L318 HydrophobicContact CE2-CB 4.46Å; Y307-L318 HydrophobicContact CE2-CD1 4.06Å; S314-L318 PolarHBondContact O-N 3.26Å; L316-L318 PolarHBondContact O-N 3.31Å; L318-L321 PolarHBondContact O-N 2.93Å; L318-F322 WeakPolarHBondContact O-CB 3.4Å; L318-F322 PolarHBondContact O-N 3.09Å; L318-F335 HydrophobicContact CD1-CE2 3.69Å; L318-F335 HydrophobicContact CD1-CZ 3.91Å; L318-L339 HydrophobicContact CD1-CD1 4.45Å; L318-L339 HydrophobicContact CD2-CD1 3.91Å; L318-F356 HydrophobicContact CD2-CD2 3.67Å; L318-F356 HydrophobicContact CD2-CE2 3.77Å; L318-L359 HydrophobicContact CD2-CB 4.49Å; L318-L359 HydrophobicContact CG-CD1 4.47Å; L318-F363 HydrophobicContact CD1-CE2 3.93Å; L318-F363 HydrophobicContact CD1-CZ 4.28Å; L318-F363 HydrophobicContact CD2-CE2 4.01Å; L318-F363 HydrophobicContact CG-CE2 3.9Å; L318-F363 HydrophobicContact CG-CZ 4.46Å |
| 319 | N | 86.8 | Confident | 85.4 | Confident | 21 Ų | 21 | 38 Ų | 38 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | 178.7 | -161.2 | 5.8 | 0 | 0 | 0 | 112.1 | H286 L316 A317 F322 V323 L359 | H286-N319 PolarHBondContact CD2-ND2 3.09Å; H286-N319 PolarHBondContact CE1-ND2 3.27Å; H286-N319 VanDerWaalsContact CE1-ND2 3.27Å; H286-N319 VanDerWaalsContact CG-ND2 3.27Å; H286-N319 PolarHBondContact ND1-ND2 3.08Å; H286-N319 PolarHBondContact NE2-ND2 3.39Å; L316-N319 PolarHBondContact O-N 3.25Å; A317-N319 PolarHBondContact O-N 2.82Å; N319-F322 WeakPolarHBondContact O-CB 3.39Å; N319-F322 PolarHBondContact O-N 3.28Å; N319-V323 PolarHBondContact O-N 3.35Å; N319-L359 HydrophobicContact CB-CD1 3.7Å |
| 320 | G | 87.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A317 V323 L324 | A317-G320 PolarHBondContact O-N 3.06Å; G320-V323 PolarHBondContact O-N 3.04Å; G320-L324 WeakPolarHBondContact O-CG 3.45Å; G320-L324 PolarHBondContact O-N 3.32Å |
| 321 | L | 87.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.5 | -72.2 | 174.1 | 0 | 0 | 0 | 111.7 | L303 Y307 A317 L318 V323 L324 I325 Y332 | L303-L321 HydrophobicContact CB-CD2 3.7Å; L303-L321 HydrophobicContact CB-CG 4.04Å; L303-L321 HydrophobicContact CD1-CD2 4.37Å; Y307-L321 HydrophobicContact CD1-CD1 4.26Å; Y307-L321 HydrophobicContact CD2-CD1 4.09Å; Y307-L321 HydrophobicContact CG-CD1 3.86Å; A317-L321 PolarHBondContact O-N 3.17Å; L318-L321 PolarHBondContact O-N 2.93Å; L321-V323 VanDerWaalsContact C-N 3.35Å; L321-V323 PolarHBondContact O-N 3.25Å; L321-L324 PolarHBondContact O-N 3.2Å; L321-I325 HydrophobicContact CB-CD1 4.46Å; L321-I325 WeakPolarHBondContact O-CB 2.99Å; L321-I325 WeakPolarHBondContact O-CD1 3.17Å; L321-I325 WeakPolarHBondContact O-CG1 3.41Å; L321-I325 PolarHBondContact O-N 3.03Å; L321-Y332 HydrophobicContact CD2-CD2 4.39Å; L321-Y332 HydrophobicContact CD2-CE2 4.45Å |
| 322 | F | 86.1 | Confident | 85 | Confident | 36 Ų | 36 | 40.1 Ų | 40.1 | 16% | 0.158 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.3 | -49.7 | 176 | 173.6 | -112.4 | 0 | 0 | 0 | 111.6 | L318 N319 L324 I325 H326 L359 L362 F363 | L318-F322 WeakPolarHBondContact O-CB 3.4Å; L318-F322 PolarHBondContact O-N 3.09Å; N319-F322 WeakPolarHBondContact O-CB 3.39Å; N319-F322 PolarHBondContact O-N 3.28Å; F322-L324 VanDerWaalsContact C-N 3.31Å; F322-L324 PolarHBondContact O-N 3.15Å; F322-I325 PolarHBondContact O-N 3.3Å; F322-H326 HydrophobicContact CD2-CB 4.48Å; F322-H326 HydrophobicContact CE2-CB 4.01Å; F322-H326 HydrophobicContact CZ-CB 4.03Å; F322-H326 VanDerWaalsContact O-CB 3.31Å; F322-H326 WeakPolarHBondContact O-CB 3.42Å; F322-H326 PolarHBondContact O-N 3.26Å; F322-L359 HydrophobicContact CB-CD2 4.13Å; F322-L359 HydrophobicContact CD1-CD2 3.76Å; F322-L359 HydrophobicContact CE1-CD2 4.39Å; F322-L359 HydrophobicContact CG-CD2 3.86Å; F322-L362 HydrophobicContact CE1-CD2 3.85Å; F322-L362 HydrophobicContact CE2-CD2 3.61Å; F322-L362 HydrophobicContact CE2-CG 4.23Å; F322-L362 HydrophobicContact CZ-CD2 3.2Å; F322-L362 HydrophobicContact CZ-CG 4.22Å; F322-F363 HydrophobicContact CB-CE1 4.33Å; F322-F363 HydrophobicContact CB-CZ 3.69Å; F322-F363 HydrophobicContact CD2-CD1 4.27Å; F322-F363 AromaticContact CD2-CE1 3.4Å; F322-F363 HydrophobicContact CD2-CE1 3.4Å; F322-F363 VanDerWaalsContact CD2-CE1 3.4Å; F322-F363 AromaticContact CD2-CZ 3.54Å; F322-F363 HydrophobicContact CD2-CZ 3.54Å; F322-F363 HydrophobicContact CE2-CE1 4.19Å; F322-F363 HydrophobicContact CG-CE1 4.29Å; F322-F363 AromaticContact CG-CZ 4Å; F322-F363 HydrophobicContact CG-CZ 4Å |
| 323 | V | 86.3 | Confident | 85 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -42.6 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.1 | H286 L290 N319 G320 L321 Q327 | H286-V323 HydrophobicContact CB-CG2 4.03Å; L290-V323 HydrophobicContact CB-CG1 4.41Å; L290-V323 HydrophobicContact CD1-CB 3.93Å; L290-V323 HydrophobicContact CD1-CG1 3.87Å; N319-V323 PolarHBondContact O-N 3.35Å; G320-V323 PolarHBondContact O-N 3.04Å; L321-V323 VanDerWaalsContact C-N 3.35Å; L321-V323 PolarHBondContact O-N 3.25Å; V323-Q327 HydrophobicContact CG1-CG 4.38Å; V323-Q327 VanDerWaalsContact O-CB 3.27Å; V323-Q327 WeakPolarHBondContact O-CB 3.42Å; V323-Q327 PolarHBondContact O-N 3.42Å |
| 324 | L | 86.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 177.3 | -66.9 | -178.1 | 0 | 0 | 0 | 113 | L290 P296 I300 L303 G320 L321 F322 H328 N329 L330 | L290-L324 HydrophobicContact CD2-CD2 4.38Å; P296-L324 HydrophobicContact CB-CD2 3.72Å; P296-L324 WeakPolarHBondContact O-CD2 3.4Å; I300-L324 HydrophobicContact CG1-CD1 4.04Å; L303-L324 HydrophobicContact CD1-CD1 3.53Å; L303-L324 HydrophobicContact CD1-CG 4.33Å; G320-L324 WeakPolarHBondContact O-CG 3.45Å; G320-L324 PolarHBondContact O-N 3.32Å; L321-L324 PolarHBondContact O-N 3.2Å; F322-L324 VanDerWaalsContact C-N 3.31Å; F322-L324 PolarHBondContact O-N 3.15Å; L324-H328 CarbonylContact O-C 3.3Å; L324-H328 VanDerWaalsContact O-C 3.3Å; L324-H328 WeakPolarHBondContact O-CA 3.5Å; L324-H328 WeakPolarHBondContact O-CB 3.48Å; L324-H328 PolarHBondContact O-N 3.34Å; L324-H328 VanDerWaalsContact O-N 3.13Å; L324-N329 PolarHBondContact O-N 3.41Å; L324-L330 HydrophobicContact CB-CB 4.28Å; L324-L330 HydrophobicContact CB-CD2 4.35Å; L324-L330 WeakPolarHBondContact O-CB 3.47Å; L324-L330 PolarHBondContact O-N 3.4Å |
| 325 | I | 85.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -47.6 | 177.7 | -66.5 | 163.1 | 0 | 0 | 0 | 110 | L321 F322 N329 L330 F335 | L321-I325 HydrophobicContact CB-CD1 4.46Å; L321-I325 WeakPolarHBondContact O-CB 2.99Å; L321-I325 WeakPolarHBondContact O-CD1 3.17Å; L321-I325 WeakPolarHBondContact O-CG1 3.41Å; L321-I325 PolarHBondContact O-N 3.03Å; F322-I325 PolarHBondContact O-N 3.3Å; I325-N329 VanDerWaalsContact O-CA 3.31Å; I325-N329 WeakPolarHBondContact O-CA 3.12Å; I325-N329 PolarHBondContact O-N 2.82Å; I325-L330 HydrophobicContact CG1-CB 4.28Å; I325-L330 HydrophobicContact CG1-CD2 4.38Å; I325-F335 HydrophobicContact CD1-CD2 3.95Å; I325-F335 HydrophobicContact CD1-CE2 3.99Å |
| 326 | H | 82.9 | Confident | 84.8 | Confident | 130 Ų | 130 | 51.5 Ų | 51.5 | 60% | 0.602 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -79.5 | -42.8 | -172.9 | -173.5 | -80.2 | 0 | 0 | 0 | 113.6 | F322 | F322-H326 HydrophobicContact CD2-CB 4.48Å; F322-H326 HydrophobicContact CE2-CB 4.01Å; F322-H326 HydrophobicContact CZ-CB 4.03Å; F322-H326 VanDerWaalsContact O-CB 3.31Å; F322-H326 WeakPolarHBondContact O-CB 3.42Å; F322-H326 PolarHBondContact O-N 3.26Å |
| 327 | Q | 84.2 | Confident | 84.9 | Confident | 117 Ų | 117 | 54 Ų | 54 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -95.6 | -25.5 | -174.4 | -59.3 | -178 | -3.4 | 0 | 0 | 113.3 | V323 | V323-Q327 HydrophobicContact CG1-CG 4.38Å; V323-Q327 VanDerWaalsContact O-CB 3.27Å; V323-Q327 WeakPolarHBondContact O-CB 3.42Å; V323-Q327 PolarHBondContact O-N 3.42Å |
| 328 | H | 81.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -116.7 | 11.5 | -177.6 | -63.2 | -70.7 | 0 | 0 | 0 | 113.4 | P296 T297 L324 L330 | P296-H328 VanDerWaalsContact CG-NE2 3.35Å; P296-H328 WeakPolarHBondContact CG-NE2 3.34Å; T297-H328 HydrophobicContact CG2-CB 4.24Å; L324-H328 CarbonylContact O-C 3.3Å; L324-H328 VanDerWaalsContact O-C 3.3Å; L324-H328 WeakPolarHBondContact O-CA 3.5Å; L324-H328 WeakPolarHBondContact O-CB 3.48Å; L324-H328 PolarHBondContact O-N 3.34Å; L324-H328 VanDerWaalsContact O-N 3.13Å; H328-L330 PolarHBondContact O-N 3.38Å |
| 329 | N | 79.6 | Confident | 84.9 | Confident | 134 Ų | 134 | 57.1 Ų | 57.1 | 72% | 0.717 | 29% | 0.286 | S | S | * | . | trans | 49.7 | 43.3 | 175.9 | -61.7 | 35.1 | 0 | 0 | 0 | 112.4 | L324 I325 D331 | L324-N329 PolarHBondContact O-N 3.41Å; I325-N329 VanDerWaalsContact O-CA 3.31Å; I325-N329 WeakPolarHBondContact O-CA 3.12Å; I325-N329 PolarHBondContact O-N 2.82Å; N329-D331 PolarHBondContact O-N 2.99Å | ||
| 330 | L | 81.3 | Confident | 85.1 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | trans | -72.6 | 122.2 | 176.6 | -172.2 | 87.7 | 0 | 0 | 0 | 110.8 | I300 L324 I325 H328 Y332 | I300-L330 HydrophobicContact CD1-CD1 3.1Å; I300-L330 HydrophobicContact CD1-CG 4.43Å; I300-L330 HydrophobicContact CG1-CD1 3.45Å; I300-L330 VanDerWaalsContact CG1-CD1 3.45Å; I300-L330 HydrophobicContact CG1-CD2 4.08Å; I300-L330 HydrophobicContact CG1-CG 4.41Å; I300-L330 HydrophobicContact CG2-CD1 4.49Å; I300-L330 HydrophobicContact CG2-CD2 4.35Å; L324-L330 HydrophobicContact CB-CB 4.28Å; L324-L330 HydrophobicContact CB-CD2 4.35Å; L324-L330 WeakPolarHBondContact O-CB 3.47Å; L324-L330 PolarHBondContact O-N 3.4Å; I325-L330 HydrophobicContact CG1-CB 4.28Å; I325-L330 HydrophobicContact CG1-CD2 4.38Å; H328-L330 PolarHBondContact O-N 3.38Å; L330-Y332 HydrophobicContact CD2-CD2 4.47Å; L330-Y332 PolarHBondContact O-N 3.17Å | ||
| 331 | D | 79.7 | Confident | 85.2 | Confident | 156 Ų | 156 | 58.2 Ų | 58.2 | 83% | 0.834 | 29% | 0.292 | S | S | * | . | trans | -81.5 | 106.4 | 166.4 | -72.3 | -30.3 | 0 | 0 | 0 | 110.1 | N329 | N329-D331 PolarHBondContact O-N 2.99Š| ||
| 332 | Y | 80.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | trans | -98.5 | 113 | 173.2 | -167.9 | -90.1 | 0 | 0 | 0 | 110.1 | T304 Y307 L321 L330 F335 K338 | T304-Y332 HydrophobicContact CG2-CE2 4.08Å; Y307-Y332 HydrophobicContact CE1-CE1 4.49Å; L321-Y332 HydrophobicContact CD2-CD2 4.39Å; L321-Y332 HydrophobicContact CD2-CE2 4.45Å; L330-Y332 HydrophobicContact CD2-CD2 4.47Å; L330-Y332 PolarHBondContact O-N 3.17Å; Y332-F335 HydrophobicContact CD1-CB 3.97Å; Y332-F335 HydrophobicContact CD1-CD2 4.11Å; Y332-K338 HydrophobicContact CE1-CD 4Å; Y332-K338 PolarHBondContact OH-NZ 3.27Å | ||
| 333 | P | 82 | Confident | 85.4 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 64% | 0.643 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 143.7 | -177.4 | 27.3 | -34 | 0 | 0 | 0 | 111.2 | F335 | P333-F335 PolarHBondContact O-N 2.95Š|
| 334 | D | 82.5 | Confident | 85.5 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 62% | 0.62 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 30.1 | 177.1 | -60.2 | -32.6 | 0 | 0 | 0 | 114.9 | Y336 K337 K338 | D334-Y336 VanDerWaalsContact C-N 3.33Å; D334-Y336 PolarHBondContact O-N 3.06Å; D334-K337 HydrophobicContact CB-CB 4.13Å; D334-K337 WeakPolarHBondContact O-CB 3.46Å; D334-K337 PolarHBondContact O-N 3.18Å; D334-K337 VanDerWaalsContact O-N 3.08Å; D334-K338 PolarHBondContact O-N 2.88Å; D334-K338 VanDerWaalsContact O-N 3.09Å |
| 335 | F | 86.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -49.6 | -51.3 | -178.6 | 175.2 | -100.3 | 0 | 0 | 0 | 112.7 | L318 I325 Y332 P333 K337 K338 L339 F363 | L318-F335 HydrophobicContact CD1-CE2 3.69Å; L318-F335 HydrophobicContact CD1-CZ 3.91Å; I325-F335 HydrophobicContact CD1-CD2 3.95Å; I325-F335 HydrophobicContact CD1-CE2 3.99Å; Y332-F335 HydrophobicContact CD1-CB 3.97Å; Y332-F335 HydrophobicContact CD1-CD2 4.11Å; P333-F335 PolarHBondContact O-N 2.95Å; F335-K337 VanDerWaalsContact C-N 3.33Å; F335-K337 PolarHBondContact O-N 3.25Å; F335-K338 PolarHBondContact O-N 2.97Å; F335-L339 HydrophobicContact CE1-CD2 4.01Å; F335-L339 HydrophobicContact CZ-CD2 4.33Å; F335-L339 WeakPolarHBondContact O-CB 3.35Å; F335-L339 PolarHBondContact O-N 3.41Å; F335-F363 HydrophobicContact CE1-CB 4.26Å; F335-F363 AromaticContact CE1-CD1 3.66Å; F335-F363 HydrophobicContact CE1-CD1 3.66Å; F335-F363 HydrophobicContact CE1-CD2 4.12Å; F335-F363 AromaticContact CE1-CE1 3.86Å; F335-F363 HydrophobicContact CE1-CE1 3.86Å; F335-F363 HydrophobicContact CE1-CE2 4.37Å; F335-F363 AromaticContact CE1-CG 3.78Å; F335-F363 HydrophobicContact CE1-CG 3.78Å; F335-F363 HydrophobicContact CE1-CZ 4.23Å; F335-F363 HydrophobicContact CE2-CE1 4.27Å; F335-F363 HydrophobicContact CE2-CE2 4.47Å; F335-F363 HydrophobicContact CE2-CZ 4.09Å; F335-F363 AromaticContact CZ-CD1 3.69Å; F335-F363 HydrophobicContact CZ-CD1 3.69Å; F335-F363 AromaticContact CZ-CD2 3.75Å; F335-F363 HydrophobicContact CZ-CD2 3.75Å; F335-F363 AromaticContact CZ-CE1 3.45Å; F335-F363 HydrophobicContact CZ-CE1 3.45Å; F335-F363 VanDerWaalsContact CZ-CE1 3.45Å; F335-F363 AromaticContact CZ-CE2 3.58Å; F335-F363 HydrophobicContact CZ-CE2 3.58Å; F335-F363 AromaticContact CZ-CG 3.82Å; F335-F363 HydrophobicContact CZ-CG 3.82Å; F335-F363 AromaticContact CZ-CZ 3.4Å; F335-F363 HydrophobicContact CZ-CZ 3.4Å |
| 336 | Y | 88.4 | Confident | 85.6 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -31.2 | -177.9 | -73.1 | -75.4 | 0 | 0 | 0 | 113.4 | D334 L339 Y340 F363 L364 L369 L373 F377 | D334-Y336 VanDerWaalsContact C-N 3.33Å; D334-Y336 PolarHBondContact O-N 3.06Å; Y336-L339 HydrophobicContact CD1-CD2 4.33Å; Y336-L339 PolarHBondContact O-N 3.19Å; Y336-Y340 VanDerWaalsContact O-CB 3.26Å; Y336-Y340 WeakPolarHBondContact O-CB 3.39Å; Y336-Y340 PolarHBondContact O-N 3.33Å; Y336-F363 HydrophobicContact CE1-CB 4.4Å; Y336-F363 PolarHBondContact OH-O 2.89Å; Y336-L364 HydrophobicContact CD1-CD2 4.4Å; Y336-L364 HydrophobicContact CE1-CD2 4.14Å; Y336-L369 HydrophobicContact CD2-CD2 4.38Å; Y336-L369 HydrophobicContact CE1-CD1 4.28Å; Y336-L369 HydrophobicContact CE1-CD2 3.86Å; Y336-L369 HydrophobicContact CE2-CD2 3.6Å; Y336-L369 VanDerWaalsContact OH-CD2 3.32Å; Y336-L369 WeakPolarHBondContact OH-CD2 3.48Å; Y336-L373 HydrophobicContact CD1-CD2 3.82Å; Y336-L373 HydrophobicContact CD2-CD2 4.15Å; Y336-L373 HydrophobicContact CE1-CD2 4.36Å; Y336-L373 HydrophobicContact CG-CD2 3.71Å; Y336-F377 HydrophobicContact CD1-CE2 4.23Å; Y336-F377 HydrophobicContact CD1-CZ 4.49Å |
| 337 | K | 89.8 | Confident | 85.8 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 27% | 0.265 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.4 | -171.6 | 172.6 | -176.5 | 156.9 | 0 | 110.2 | D334 F335 Y340 N341 V433 D434 | D334-K337 HydrophobicContact CB-CB 4.13Å; D334-K337 WeakPolarHBondContact O-CB 3.46Å; D334-K337 PolarHBondContact O-N 3.18Å; D334-K337 VanDerWaalsContact O-N 3.08Å; F335-K337 VanDerWaalsContact C-N 3.33Å; F335-K337 PolarHBondContact O-N 3.25Å; K337-Y340 WeakPolarHBondContact O-CB 3.3Å; K337-Y340 PolarHBondContact O-N 3.16Å; K337-N341 VanDerWaalsContact O-CG 3.31Å; K337-N341 PolarHBondContact O-N 3.26Å; K337-N341 VanDerWaalsContact O-N 3.09Å; K337-N341 PolarHBondContact O-ND2 3.24Å; K337-V433 HydrophobicContact CG-CG1 4.46Å; K337-V433 WeakPolarHBondContact CG-O 3.41Å; K337-D434 IonicContact NZ-OD2 3.62Å; K337-D434 PolarHBondContact NZ-OD2 3.23Å |
| 338 | K | 87.6 | Confident | 86 | Confident | 65 Ų | 65 | 54 Ų | 54 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 176.5 | -63.6 | -163.4 | -179.3 | -177.1 | 0 | 112.7 | Y307 D308 Y332 D334 F335 Y340 N341 L342 | Y307-K338 HydrophobicContact CD1-CD 3.86Å; Y307-K338 HydrophobicContact CE1-CB 3.42Å; Y307-K338 VanDerWaalsContact CE1-CB 3.42Å; Y307-K338 HydrophobicContact CE1-CD 3.48Å; Y307-K338 VanDerWaalsContact CE1-CD 3.48Å; Y307-K338 HydrophobicContact CE1-CG 4.1Å; Y307-K338 VanDerWaalsContact OH-C 3.23Å; Y307-K338 WeakPolarHBondContact OH-CB 3.42Å; Y307-K338 PolarHBondContact OH-O 3.42Å; D308-K338 IonicContact OD1-NZ 2.73Å; D308-K338 PolarHBondContact OD1-NZ 2.9Å; D308-K338 IonicContact OD2-NZ 3.94Å; Y332-K338 HydrophobicContact CE1-CD 4Å; Y332-K338 PolarHBondContact OH-NZ 3.27Å; D334-K338 PolarHBondContact O-N 2.88Å; D334-K338 VanDerWaalsContact O-N 3.09Å; F335-K338 PolarHBondContact O-N 2.97Å; K338-Y340 VanDerWaalsContact C-N 3.29Å; K338-Y340 PolarHBondContact O-N 2.99Å; K338-N341 PolarHBondContact O-N 2.88Å; K338-L342 PolarHBondContact O-N 3.06Å |
| 339 | L | 89.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.3 | -177.4 | 64.8 | 0 | 0 | 0 | 111.6 | Y307 L318 F335 Y336 L342 F356 F363 F377 | Y307-L339 PolarHBondContact OH-N 3.17Å; L318-L339 HydrophobicContact CD1-CD1 4.45Å; L318-L339 HydrophobicContact CD2-CD1 3.91Å; F335-L339 HydrophobicContact CE1-CD2 4.01Å; F335-L339 HydrophobicContact CZ-CD2 4.33Å; F335-L339 WeakPolarHBondContact O-CB 3.35Å; F335-L339 PolarHBondContact O-N 3.41Å; Y336-L339 HydrophobicContact CD1-CD2 4.33Å; Y336-L339 PolarHBondContact O-N 3.19Å; L339-L342 WeakPolarHBondContact O-CB 3.27Å; L339-L342 PolarHBondContact O-N 3.24Å; L339-F356 HydrophobicContact CD1-CE2 3.76Å; L339-F356 HydrophobicContact CD1-CZ 4.18Å; L339-F363 HydrophobicContact CD2-CB 4.19Å; L339-F363 HydrophobicContact CD2-CD2 4.24Å; L339-F363 HydrophobicContact CD2-CG 4.5Å; L339-F377 HydrophobicContact CB-CZ 4.17Å; L339-F377 HydrophobicContact CD2-CE1 4.25Å; L339-F377 HydrophobicContact CD2-CZ 4.07Å; L339-F377 HydrophobicContact CG-CE1 4.02Å; L339-F377 HydrophobicContact CG-CZ 4.03Å |
| 340 | Y | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.8 | -178.7 | -107.4 | 0 | 0 | 0 | 111.7 | Y336 K337 K338 L342 L343 A376 F377 R380 Y428 E432 P435 | Y336-Y340 VanDerWaalsContact O-CB 3.26Å; Y336-Y340 WeakPolarHBondContact O-CB 3.39Å; Y336-Y340 PolarHBondContact O-N 3.33Å; K337-Y340 WeakPolarHBondContact O-CB 3.3Å; K337-Y340 PolarHBondContact O-N 3.16Å; K338-Y340 VanDerWaalsContact C-N 3.29Å; K338-Y340 PolarHBondContact O-N 2.99Å; Y340-L342 VanDerWaalsContact C-N 3.25Å; Y340-L342 PolarHBondContact O-N 2.81Å; Y340-L343 WeakPolarHBondContact O-CB 3.39Å; Y340-L343 PolarHBondContact O-N 3.45Å; Y340-L343 VanDerWaalsContact O-N 3.15Å; Y340-A376 HydrophobicContact CE2-CB 3.96Å; Y340-F377 HydrophobicContact CD2-CD1 4.28Å; Y340-F377 HydrophobicContact CD2-CE1 4.23Å; Y340-F377 HydrophobicContact CD2-CE2 4.47Å; Y340-F377 HydrophobicContact CD2-CG 4.42Å; Y340-F377 HydrophobicContact CD2-CZ 4.32Å; Y340-R380 VanDerWaalsContact CD1-NH1 3.31Å; Y340-R380 HydrophobicContact CD2-CB 4.46Å; Y340-R380 HydrophobicContact CE2-CB 3.63Å; Y340-R380 HydrophobicContact CE2-CG 4.03Å; Y340-R380 PolarHBondContact O-NE 3.37Å; Y340-Y428 PolarHBondContact OH-OH 3.32Å; Y340-E432 WeakPolarHBondContact CE1-O 3.42Å; Y340-P435 HydrophobicContact CD1-CB 4.25Å; Y340-P435 HydrophobicContact CD2-CB 4.21Å; Y340-P435 HydrophobicContact CE1-CB 4.45Å; Y340-P435 HydrophobicContact CE2-CB 4.43Å; Y340-P435 HydrophobicContact CG-CB 4.11Å |
| 341 | N | 89.3 | Confident | 86.5 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -27.5 | 177.3 | -65.2 | -39.2 | 0 | 0 | 0 | 113.4 | K337 K338 L343 V433 | K337-N341 VanDerWaalsContact O-CG 3.31Å; K337-N341 PolarHBondContact O-N 3.26Å; K337-N341 VanDerWaalsContact O-N 3.09Å; K337-N341 PolarHBondContact O-ND2 3.24Å; K338-N341 PolarHBondContact O-N 2.88Å; N341-L343 PolarHBondContact O-N 3.49Å; N341-V433 WeakPolarHBondContact ND2-CG1 3.48Å; N341-V433 WeakPolarHBondContact OD1-CA 3.49Å; N341-V433 PolarHBondContact OD1-O 2.98Å |
| 342 | L | 89.5 | Confident | 86.7 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.2 | -20.3 | 176.9 | -156.1 | 73.5 | 0 | 0 | 0 | 112.5 | Y307 L315 K338 L339 Y340 E344 V347 F356 | Y307-L342 HydrophobicContact CE2-CD2 4.25Å; L315-L342 HydrophobicContact CD2-CD2 3.34Å; L315-L342 HydrophobicContact CD2-CG 3.83Å; L315-L342 HydrophobicContact CG-CD2 4.09Å; L315-L342 HydrophobicContact CG-CG 4.43Å; K338-L342 PolarHBondContact O-N 3.06Å; L339-L342 WeakPolarHBondContact O-CB 3.27Å; L339-L342 PolarHBondContact O-N 3.24Å; Y340-L342 VanDerWaalsContact C-N 3.25Å; Y340-L342 PolarHBondContact O-N 2.81Å; L342-E344 VanDerWaalsContact C-N 3.32Å; L342-E344 PolarHBondContact O-N 3.28Å; L342-V347 WeakPolarHBondContact O-CG2 3.49Å; L342-F356 HydrophobicContact CD2-CD2 4.13Å; L342-F356 HydrophobicContact CD2-CE2 3.63Å; L342-F356 HydrophobicContact CD2-CZ 4.36Å |
| 343 | L | 89.4 | Confident | 87 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -75 | 85.4 | 173.9 | -65.2 | 176.2 | 0 | 0 | 0 | 110.2 | Y340 N341 F356 F377 R380 L381 L384 | Y340-L343 WeakPolarHBondContact O-CB 3.39Å; Y340-L343 PolarHBondContact O-N 3.45Å; Y340-L343 VanDerWaalsContact O-N 3.15Å; N341-L343 PolarHBondContact O-N 3.49Å; L343-F356 HydrophobicContact CD2-CE1 3.53Å; L343-F356 HydrophobicContact CD2-CZ 3.62Å; L343-F356 HydrophobicContact CG-CZ 4.43Å; L343-F377 HydrophobicContact CD1-CD1 3.46Å; L343-F377 VanDerWaalsContact CD1-CD1 3.46Å; L343-F377 HydrophobicContact CD1-CE1 3.7Å; L343-R380 HydrophobicContact CB-CG 4.36Å; L343-R380 PolarHBondContact O-NE 2.93Å; L343-R380 PolarHBondContact O-NH2 3.4Å; L343-L381 HydrophobicContact CD1-CD2 4.01Å; L343-L381 HydrophobicContact CD1-CG 4.16Å; L343-L381 HydrophobicContact CD2-CD2 3.88Å; L343-L384 HydrophobicContact CB-CD1 3.88Å; L343-L384 WeakPolarHBondContact O-CD1 3.46Å | ||
| 344 | E | 88.3 | Confident | 87.3 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | trans | -112.1 | 162.1 | 171.9 | -69.8 | -179.4 | 179 | 0 | 0 | 110.8 | L342 S346 V347 | L342-E344 VanDerWaalsContact C-N 3.32Å; L342-E344 PolarHBondContact O-N 3.28Å; E344-S346 PolarHBondContact O-N 3.42Å; E344-S346 VanDerWaalsContact O-N 3.07Å; E344-S346 PolarHBondContact OE2-OG 3.32Å; E344-V347 WeakPolarHBondContact O-CB 3.4Å; E344-V347 WeakPolarHBondContact O-CG2 3.38Å; E344-V347 PolarHBondContact O-N 3.18Å | ||
| 345 | P | 87.6 | Confident | 87.5 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -55 | -30.2 | 175.1 | -24.6 | 33.6 | 0 | 0 | 0 | 113 | V347 H349 L384 | P345-V347 PolarHBondContact O-N 3.3Å; P345-H349 PolarHBondContact O-CD2 3.03Å; P345-L384 HydrophobicContact CB-CD2 4.48Å; P345-L384 HydrophobicContact CG-CD2 3.72Å |
| 346 | S | 86.8 | Confident | 87.7 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 38% | 0.378 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -59.7 | -30.2 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | E344 F348 H349 V350 | E344-S346 PolarHBondContact O-N 3.42Å; E344-S346 VanDerWaalsContact O-N 3.07Å; E344-S346 PolarHBondContact OE2-OG 3.32Å; S346-F348 VanDerWaalsContact C-N 3.27Å; S346-F348 PolarHBondContact O-N 2.95Å; S346-H349 PolarHBondContact O-N 3.11Å; S346-V350 WeakPolarHBondContact O-CG2 3.31Å; S346-V350 PolarHBondContact O-N 3.08Å |
| 347 | V | 87.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -58.5 | -37.1 | -174.5 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | L342 E344 P345 H349 V350 F356 F357 | L342-V347 WeakPolarHBondContact O-CG2 3.49Å; E344-V347 WeakPolarHBondContact O-CB 3.4Å; E344-V347 WeakPolarHBondContact O-CG2 3.38Å; E344-V347 PolarHBondContact O-N 3.18Å; P345-V347 PolarHBondContact O-N 3.3Å; V347-H349 PolarHBondContact O-N 3.18Å; V347-V350 PolarHBondContact O-N 3.24Å; V347-F356 HydrophobicContact CG1-CD1 3.58Å; V347-F356 HydrophobicContact CG1-CE1 3.73Å; V347-F356 HydrophobicContact CG1-CG 4.45Å; V347-F357 HydrophobicContact CG1-CE2 3.87Å; V347-F357 HydrophobicContact CG1-CZ 4.14Å |
| 348 | F | 87.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -69.6 | -17.6 | -178.9 | -59.8 | -52.4 | 0 | 0 | 0 | 114.1 | S346 K353 F357 L384 A388 A392 V396 | S346-F348 VanDerWaalsContact C-N 3.27Å; S346-F348 PolarHBondContact O-N 2.95Å; F348-K353 VanDerWaalsContact O-CD 3.3Å; F348-K353 WeakPolarHBondContact O-CD 3.26Å; F348-F357 AromaticContact CD1-CE2 3.94Å; F348-F357 HydrophobicContact CD1-CE2 3.94Å; F348-F357 AromaticContact CD1-CZ 3.94Å; F348-F357 HydrophobicContact CD1-CZ 3.94Å; F348-F357 HydrophobicContact CE1-CE1 4.39Å; F348-F357 AromaticContact CE1-CE2 3.9Å; F348-F357 HydrophobicContact CE1-CE2 3.9Å; F348-F357 AromaticContact CE1-CZ 3.43Å; F348-F357 HydrophobicContact CE1-CZ 3.43Å; F348-F357 VanDerWaalsContact CE1-CZ 3.43Å; F348-F357 HydrophobicContact CZ-CZ 4.4Å; F348-L384 HydrophobicContact CE2-CB 3.71Å; F348-L384 HydrophobicContact CZ-CB 4.08Å; F348-A388 HydrophobicContact CD2-CB 3.62Å; F348-A388 HydrophobicContact CE2-CB 3.68Å; F348-A388 HydrophobicContact CG-CB 4.15Å; F348-A388 HydrophobicContact CZ-CB 4.3Å; F348-A392 HydrophobicContact CB-CB 3.93Å; F348-A392 HydrophobicContact CD1-CB 3.62Å; F348-A392 HydrophobicContact CE1-CB 4.31Å; F348-A392 HydrophobicContact CG-CB 3.88Å; F348-V396 HydrophobicContact CD1-CG2 4.37Å; F348-V396 HydrophobicContact CE1-CG2 3.38Å; F348-V396 HydrophobicContact CZ-CG2 3.8Å |
| 349 | H | 84.8 | Confident | 87.7 | Confident | 136 Ų | 136 | 46.7 Ų | 46.7 | 63% | 0.63 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -100.5 | -6 | -179.6 | -59.3 | -76.1 | 0 | 0 | 0 | 112.9 | P345 S346 V347 | P345-H349 PolarHBondContact O-CD2 3.03Å; S346-H349 PolarHBondContact O-N 3.11Å; V347-H349 PolarHBondContact O-N 3.18Å |
| 350 | V | 84.8 | Confident | 87.7 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -77.7 | 139.7 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | A312 L315 S346 V347 Y352 K353 | A312-V350 HydrophobicContact CB-CG1 3.94Å; L315-V350 HydrophobicContact CD1-CB 4.09Å; L315-V350 HydrophobicContact CD1-CG1 3.99Å; L315-V350 HydrophobicContact CD1-CG2 3.89Å; S346-V350 WeakPolarHBondContact O-CG2 3.31Å; S346-V350 PolarHBondContact O-N 3.08Å; V347-V350 PolarHBondContact O-N 3.24Å; V350-Y352 HydrophobicContact CG1-CD2 4.25Å; V350-Y352 PolarHBondContact O-N 3.2Å; V350-Y352 VanDerWaalsContact O-N 3.12Å; V350-K353 WeakPolarHBondContact O-CB 3.45Å; V350-K353 PolarHBondContact O-N 3.1Å |
| 351 | K | 84.3 | Confident | 87.7 | Confident | 183 Ų | 183 | 48.5 Ų | 48.5 | 80% | 0.796 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.5 | 177.2 | -176.6 | 172.2 | -179 | 175.2 | 0 | 113.9 | ||
| 352 | Y | 83.9 | Confident | 87.6 | Confident | 61 Ų | 61 | 50 Ų | 50 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 17.8 | -174.7 | -52.5 | -75.1 | 0 | 0 | 0 | 113.7 | V283 L316 V350 A354 R355 F356 | V283-Y352 HydrophobicContact CG2-CE1 3.79Å; L316-Y352 HydrophobicContact CD1-CD2 4.19Å; L316-Y352 HydrophobicContact CD1-CE2 3.96Å; L316-Y352 HydrophobicContact CD2-CD1 3.83Å; L316-Y352 HydrophobicContact CD2-CD2 3.79Å; L316-Y352 HydrophobicContact CD2-CE1 4.1Å; L316-Y352 HydrophobicContact CD2-CE2 4.09Å; L316-Y352 HydrophobicContact CD2-CG 3.66Å; L316-Y352 HydrophobicContact CG-CD2 4.09Å; L316-Y352 HydrophobicContact CG-CE2 4.35Å; L316-Y352 HydrophobicContact CG-CG 4.4Å; V350-Y352 HydrophobicContact CG1-CD2 4.25Å; V350-Y352 PolarHBondContact O-N 3.2Å; V350-Y352 VanDerWaalsContact O-N 3.12Å; Y352-A354 VanDerWaalsContact C-N 3.31Å; Y352-A354 PolarHBondContact O-N 2.9Å; Y352-R355 PolarHBondContact O-N 3.2Å; Y352-F356 PolarHBondContact O-N 3.04Å |
| 353 | K | 87.2 | Confident | 87.6 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -40 | -178.3 | 67.3 | -176.2 | -177.2 | 173.6 | 0 | 113.6 | F348 V350 R355 F356 F357 | F348-K353 VanDerWaalsContact O-CD 3.3Å; F348-K353 WeakPolarHBondContact O-CD 3.26Å; V350-K353 WeakPolarHBondContact O-CB 3.45Å; V350-K353 PolarHBondContact O-N 3.1Å; K353-R355 PolarHBondContact O-N 3.2Å; K353-F356 WeakPolarHBondContact O-CB 3.48Å; K353-F356 PolarHBondContact O-N 3.37Å; K353-F356 VanDerWaalsContact O-N 3.15Å; K353-F357 HydrophobicContact CB-CD2 4.41Å; K353-F357 VanDerWaalsContact O-CD2 3.3Å; K353-F357 WeakPolarHBondContact O-CD2 3.48Å; K353-F357 PolarHBondContact O-N 2.87Å |
| 354 | A | 87.8 | Confident | 87.5 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -48.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y352 F356 F357 H358 L481 E482 | Y352-A354 VanDerWaalsContact C-N 3.31Å; Y352-A354 PolarHBondContact O-N 2.9Å; A354-F356 VanDerWaalsContact C-N 3.34Å; A354-F356 PolarHBondContact O-N 3.31Å; A354-F357 PolarHBondContact O-N 3.05Å; A354-H358 WeakPolarHBondContact O-CB 3.44Å; A354-H358 PolarHBondContact O-N 3.36Å; A354-L481 HydrophobicContact CB-CB 4.12Å; A354-L481 WeakPolarHBondContact CB-O 3.43Å; A354-E482 HydrophobicContact CB-CG 4.44Å |
| 355 | R | 87.1 | Confident | 87.4 | Confident | 109 Ų | 109 | 47.4 Ų | 47.4 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.7 | -65.7 | -175.5 | 178.9 | -166.3 | -5.8 | 111.9 | Y352 K353 L359 | Y352-R355 PolarHBondContact O-N 3.2Å; K353-R355 PolarHBondContact O-N 3.2Å; R355-L359 WeakPolarHBondContact O-CG 3.34Å; R355-L359 PolarHBondContact O-N 3.44Å; R355-L359 VanDerWaalsContact O-N 3.07Å |
| 356 | F | 89.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 177.5 | 170.1 | -104.6 | 0 | 0 | 0 | 112.1 | L315 L318 L339 L342 L343 V347 Y352 K353 A354 H358 L359 A360 | L315-F356 HydrophobicContact CD2-CB 3.88Å; L315-F356 HydrophobicContact CD2-CD1 4.07Å; L315-F356 HydrophobicContact CD2-CD2 3.21Å; L315-F356 HydrophobicContact CD2-CE1 4.47Å; L315-F356 HydrophobicContact CD2-CE2 3.71Å; L315-F356 HydrophobicContact CD2-CG 3.41Å; L315-F356 VanDerWaalsContact CD2-CG 3.41Å; L315-F356 HydrophobicContact CD2-CZ 4.3Å; L318-F356 HydrophobicContact CD2-CD2 3.67Å; L318-F356 HydrophobicContact CD2-CE2 3.77Å; L339-F356 HydrophobicContact CD1-CE2 3.76Å; L339-F356 HydrophobicContact CD1-CZ 4.18Å; L342-F356 HydrophobicContact CD2-CD2 4.13Å; L342-F356 HydrophobicContact CD2-CE2 3.63Å; L342-F356 HydrophobicContact CD2-CZ 4.36Å; L343-F356 HydrophobicContact CD2-CE1 3.53Å; L343-F356 HydrophobicContact CD2-CZ 3.62Å; L343-F356 HydrophobicContact CG-CZ 4.43Å; V347-F356 HydrophobicContact CG1-CD1 3.58Å; V347-F356 HydrophobicContact CG1-CE1 3.73Å; V347-F356 HydrophobicContact CG1-CG 4.45Å; Y352-F356 PolarHBondContact O-N 3.04Å; K353-F356 WeakPolarHBondContact O-CB 3.48Å; K353-F356 PolarHBondContact O-N 3.37Å; K353-F356 VanDerWaalsContact O-N 3.15Å; A354-F356 VanDerWaalsContact C-N 3.34Å; A354-F356 PolarHBondContact O-N 3.31Å; F356-H358 VanDerWaalsContact C-N 3.33Å; F356-H358 PolarHBondContact O-N 3Å; F356-L359 PolarHBondContact O-N 3.29Å; F356-A360 HydrophobicContact CZ-CB 4.4Å; F356-A360 WeakPolarHBondContact O-CB 3.37Å; F356-A360 PolarHBondContact O-N 3.21Å |
| 357 | F | 89.8 | Confident | 87 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -31.1 | -179.4 | -80.2 | -74 | 0 | 0 | 0 | 112.8 | V347 F348 K353 A354 A360 N361 L381 M395 V396 F399 L481 | V347-F357 HydrophobicContact CG1-CE2 3.87Å; V347-F357 HydrophobicContact CG1-CZ 4.14Å; F348-F357 AromaticContact CD1-CE2 3.94Å; F348-F357 HydrophobicContact CD1-CE2 3.94Å; F348-F357 AromaticContact CD1-CZ 3.94Å; F348-F357 HydrophobicContact CD1-CZ 3.94Å; F348-F357 HydrophobicContact CE1-CE1 4.39Å; F348-F357 AromaticContact CE1-CE2 3.9Å; F348-F357 HydrophobicContact CE1-CE2 3.9Å; F348-F357 AromaticContact CE1-CZ 3.43Å; F348-F357 HydrophobicContact CE1-CZ 3.43Å; F348-F357 VanDerWaalsContact CE1-CZ 3.43Å; F348-F357 HydrophobicContact CZ-CZ 4.4Å; K353-F357 HydrophobicContact CB-CD2 4.41Å; K353-F357 VanDerWaalsContact O-CD2 3.3Å; K353-F357 WeakPolarHBondContact O-CD2 3.48Å; K353-F357 PolarHBondContact O-N 2.87Å; A354-F357 PolarHBondContact O-N 3.05Å; F357-A360 PolarHBondContact O-N 3.21Å; F357-N361 WeakPolarHBondContact O-CB 3.42Å; F357-N361 PolarHBondContact O-N 3.3Å; F357-L381 HydrophobicContact CE1-CD2 3.95Å; F357-L381 HydrophobicContact CZ-CD2 4.47Å; F357-M395 HydrophobicContact CB-SD 3.62Å; F357-M395 HydrophobicContact CD1-SD 4.29Å; F357-M395 HydrophobicContact CD2-SD 3.39Å; F357-M395 WeakPolarHBondContact CD2-SD 3.33Å; F357-M395 HydrophobicContact CE2-SD 4.15Å; F357-M395 HydrophobicContact CG-SD 3.49Å; F357-M395 WeakPolarHBondContact CG-SD 3.21Å; F357-V396 HydrophobicContact CE1-CG2 4.49Å; F357-V396 HydrophobicContact CZ-CG2 4.48Å; F357-F399 HydrophobicContact CD1-CD2 4.39Å; F357-F399 HydrophobicContact CD1-CE2 4.31Å; F357-L481 HydrophobicContact CB-CD2 3.62Å |
| 358 | H | 89.5 | Confident | 86.8 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -52.2 | 168.6 | -178.1 | 74.9 | 0 | 0 | 0 | 111.4 | A354 F356 N361 L362 L481 | A354-H358 WeakPolarHBondContact O-CB 3.44Å; A354-H358 PolarHBondContact O-N 3.36Å; F356-H358 VanDerWaalsContact C-N 3.33Å; F356-H358 PolarHBondContact O-N 3Å; H358-N361 WeakPolarHBondContact O-CB 2.98Å; H358-N361 PolarHBondContact O-N 3.31Å; H358-L362 PolarHBondContact O-N 3.28Å; H358-L362 VanDerWaalsContact O-N 3.15Å; H358-L481 HydrophobicContact CB-CD1 3.79Å |
| 359 | L | 88.2 | Confident | 86.8 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.1 | -69.1 | 171.8 | 0 | 0 | 0 | 111.8 | L318 N319 F322 R355 F356 N361 L362 F363 | L318-L359 HydrophobicContact CD2-CB 4.49Å; L318-L359 HydrophobicContact CG-CD1 4.47Å; N319-L359 HydrophobicContact CB-CD1 3.7Å; F322-L359 HydrophobicContact CB-CD2 4.13Å; F322-L359 HydrophobicContact CD1-CD2 3.76Å; F322-L359 HydrophobicContact CE1-CD2 4.39Å; F322-L359 HydrophobicContact CG-CD2 3.86Å; R355-L359 WeakPolarHBondContact O-CG 3.34Å; R355-L359 PolarHBondContact O-N 3.44Å; R355-L359 VanDerWaalsContact O-N 3.07Å; F356-L359 PolarHBondContact O-N 3.29Å; L359-N361 VanDerWaalsContact C-N 3.3Å; L359-N361 PolarHBondContact O-N 3.13Å; L359-L362 WeakPolarHBondContact O-CB 3.34Å; L359-L362 PolarHBondContact O-N 3.49Å; L359-L362 VanDerWaalsContact O-N 3.13Å; L359-F363 HydrophobicContact CB-CD2 4.29Å; L359-F363 HydrophobicContact CB-CE2 3.92Å; L359-F363 WeakPolarHBondContact O-CD2 3.31Å; L359-F363 WeakPolarHBondContact O-CG 3.27Å; L359-F363 PolarHBondContact O-N 2.88Å |
| 360 | A | 89.9 | Confident | 87.1 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F356 F357 L362 F363 L364 F399 | F356-A360 HydrophobicContact CZ-CB 4.4Å; F356-A360 WeakPolarHBondContact O-CB 3.37Å; F356-A360 PolarHBondContact O-N 3.21Å; F357-A360 PolarHBondContact O-N 3.21Å; A360-L362 VanDerWaalsContact C-N 3.3Å; A360-L362 PolarHBondContact O-N 3.03Å; A360-F363 PolarHBondContact O-N 3.45Å; A360-L364 WeakPolarHBondContact O-CB 3.23Å; A360-L364 WeakPolarHBondContact O-CG 3.48Å; A360-L364 PolarHBondContact O-N 2.88Å; A360-F399 HydrophobicContact CB-CE2 4.31Å; A360-F399 HydrophobicContact CB-CZ 4.06Å |
| 361 | N | 89.3 | Confident | 87.4 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.3 | -173.8 | 30.2 | 0 | 0 | 0 | 111.1 | F357 H358 L359 L364 S365 F399 R406 | F357-N361 WeakPolarHBondContact O-CB 3.42Å; F357-N361 PolarHBondContact O-N 3.3Å; H358-N361 WeakPolarHBondContact O-CB 2.98Å; H358-N361 PolarHBondContact O-N 3.31Å; L359-N361 VanDerWaalsContact C-N 3.3Å; L359-N361 PolarHBondContact O-N 3.13Å; N361-L364 CarbonylContact O-C 3.57Å; N361-L364 PolarHBondContact O-N 2.84Å; N361-S365 WeakPolarHBondContact O-CB 3.37Å; N361-S365 PolarHBondContact O-N 3.24Å; N361-F399 HydrophobicContact CB-CD2 4.23Å; N361-F399 HydrophobicContact CB-CE2 3.61Å; N361-F399 HydrophobicContact CB-CZ 4.42Å; N361-R406 PolarHBondContact O-NH1 3.4Å; N361-R406 PolarHBondContact OD1-NH1 2.99Å; N361-R406 PolarHBondContact OD1-NH2 3.34Å |
| 362 | L | 88.7 | Confident | 87.7 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 40% | 0.398 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 178.7 | -172.3 | 62.7 | 0 | 0 | 0 | 112.5 | F322 H358 L359 A360 L364 S365 | F322-L362 HydrophobicContact CE1-CD2 3.85Å; F322-L362 HydrophobicContact CE2-CD2 3.61Å; F322-L362 HydrophobicContact CE2-CG 4.23Å; F322-L362 HydrophobicContact CZ-CD2 3.2Å; F322-L362 HydrophobicContact CZ-CG 4.22Å; H358-L362 PolarHBondContact O-N 3.28Å; H358-L362 VanDerWaalsContact O-N 3.15Å; L359-L362 WeakPolarHBondContact O-CB 3.34Å; L359-L362 PolarHBondContact O-N 3.49Å; L359-L362 VanDerWaalsContact O-N 3.13Å; A360-L362 VanDerWaalsContact C-N 3.3Å; A360-L362 PolarHBondContact O-N 3.03Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-S365 PolarHBondContact O-N 3.1Å; L362-S365 PolarHBondContact O-OG 3.41Å |
| 363 | F | 87.6 | Confident | 88.1 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 6% | 0.061 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 175 | -70.2 | -55.5 | 0 | 0 | 0 | 112.9 | L318 F322 F335 Y336 L339 L359 A360 | L318-F363 HydrophobicContact CD1-CE2 3.93Å; L318-F363 HydrophobicContact CD1-CZ 4.28Å; L318-F363 HydrophobicContact CD2-CE2 4.01Å; L318-F363 HydrophobicContact CG-CE2 3.9Å; L318-F363 HydrophobicContact CG-CZ 4.46Å; F322-F363 HydrophobicContact CB-CE1 4.33Å; F322-F363 HydrophobicContact CB-CZ 3.69Å; F322-F363 HydrophobicContact CD2-CD1 4.27Å; F322-F363 AromaticContact CD2-CE1 3.4Å; F322-F363 HydrophobicContact CD2-CE1 3.4Å; F322-F363 VanDerWaalsContact CD2-CE1 3.4Å; F322-F363 AromaticContact CD2-CZ 3.54Å; F322-F363 HydrophobicContact CD2-CZ 3.54Å; F322-F363 HydrophobicContact CE2-CE1 4.19Å; F322-F363 HydrophobicContact CG-CE1 4.29Å; F322-F363 AromaticContact CG-CZ 4Å; F322-F363 HydrophobicContact CG-CZ 4Å; F335-F363 HydrophobicContact CE1-CB 4.26Å; F335-F363 AromaticContact CE1-CD1 3.66Å; F335-F363 HydrophobicContact CE1-CD1 3.66Å; F335-F363 HydrophobicContact CE1-CD2 4.12Å; F335-F363 AromaticContact CE1-CE1 3.86Å; F335-F363 HydrophobicContact CE1-CE1 3.86Å; F335-F363 HydrophobicContact CE1-CE2 4.37Å; F335-F363 AromaticContact CE1-CG 3.78Å; F335-F363 HydrophobicContact CE1-CG 3.78Å; F335-F363 HydrophobicContact CE1-CZ 4.23Å; F335-F363 HydrophobicContact CE2-CE1 4.27Å; F335-F363 HydrophobicContact CE2-CE2 4.47Å; F335-F363 HydrophobicContact CE2-CZ 4.09Å; F335-F363 AromaticContact CZ-CD1 3.69Å; F335-F363 HydrophobicContact CZ-CD1 3.69Å; F335-F363 AromaticContact CZ-CD2 3.75Å; F335-F363 HydrophobicContact CZ-CD2 3.75Å; F335-F363 AromaticContact CZ-CE1 3.45Å; F335-F363 HydrophobicContact CZ-CE1 3.45Å; F335-F363 VanDerWaalsContact CZ-CE1 3.45Å; F335-F363 AromaticContact CZ-CE2 3.58Å; F335-F363 HydrophobicContact CZ-CE2 3.58Å; F335-F363 AromaticContact CZ-CG 3.82Å; F335-F363 HydrophobicContact CZ-CG 3.82Å; F335-F363 AromaticContact CZ-CZ 3.4Å; F335-F363 HydrophobicContact CZ-CZ 3.4Å; Y336-F363 HydrophobicContact CE1-CB 4.4Å; Y336-F363 PolarHBondContact OH-O 2.89Å; L339-F363 HydrophobicContact CD2-CB 4.19Å; L339-F363 HydrophobicContact CD2-CD2 4.24Å; L339-F363 HydrophobicContact CD2-CG 4.5Å; L359-F363 HydrophobicContact CB-CD2 4.29Å; L359-F363 HydrophobicContact CB-CE2 3.92Å; L359-F363 WeakPolarHBondContact O-CD2 3.31Å; L359-F363 WeakPolarHBondContact O-CG 3.27Å; L359-F363 PolarHBondContact O-N 2.88Å; A360-F363 PolarHBondContact O-N 3.45Å |
| 364 | L | 88.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.1 | 179.8 | -63.6 | 176.3 | 0 | 0 | 0 | 113.3 | Y336 A360 N361 L362 S366 L369 F377 F399 L403 | Y336-L364 HydrophobicContact CD1-CD2 4.4Å; Y336-L364 HydrophobicContact CE1-CD2 4.14Å; A360-L364 WeakPolarHBondContact O-CB 3.23Å; A360-L364 WeakPolarHBondContact O-CG 3.48Å; A360-L364 PolarHBondContact O-N 2.88Å; N361-L364 CarbonylContact O-C 3.57Å; N361-L364 PolarHBondContact O-N 2.84Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L364-S366 VanDerWaalsContact C-N 3.31Å; L364-L369 HydrophobicContact CD2-CD1 4Å; L364-F377 HydrophobicContact CD1-CB 4.12Å; L364-F377 HydrophobicContact CD1-CD1 4.03Å; L364-F377 HydrophobicContact CD1-CD2 4.49Å; L364-F377 HydrophobicContact CD1-CG 3.97Å; L364-F377 HydrophobicContact CD2-CD2 3.83Å; L364-F377 HydrophobicContact CD2-CE2 4.07Å; L364-F377 HydrophobicContact CD2-CG 4.15Å; L364-F399 HydrophobicContact CD1-CE1 3.92Å; L364-F399 HydrophobicContact CD1-CZ 3.93Å; L364-L403 HydrophobicContact CB-CD2 3.66Å; L364-L403 HydrophobicContact CD1-CD1 4.23Å; L364-L403 HydrophobicContact CD1-CD2 3.94Å; L364-L403 HydrophobicContact CG-CD2 4.4Å |
| 365 | S | 86.7 | Confident | 88.6 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 38% | 0.378 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.5 | 169.7 | 68.6 | 0 | 0 | 0 | 0 | 113 | N361 L362 S367 | N361-S365 WeakPolarHBondContact O-CB 3.37Å; N361-S365 PolarHBondContact O-N 3.24Å; L362-S365 PolarHBondContact O-N 3.1Å; L362-S365 PolarHBondContact O-OG 3.41Å; S365-S367 PolarHBondContact O-N 2.84Å |
| 366 | S | 85.4 | Confident | 89 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | trans | -65.4 | 130 | 177.7 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | L364 H368 L369 | L364-S366 VanDerWaalsContact C-N 3.31Å; S366-H368 PolarHBondContact O-N 3.13Å; S366-L369 WeakPolarHBondContact O-CG 3.34Å | ||
| 367 | S | 80.3 | Confident | 89.2 | Confident | 98 Ų | 98 | 39.7 Ų | 39.7 | 69% | 0.685 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.1 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | S365 L369 | S365-S367 PolarHBondContact O-N 2.84Å; S367-L369 VanDerWaalsContact C-N 3.29Å; S367-L369 PolarHBondContact O-N 3.23Å |
| 368 | H | 83.1 | Confident | 89.4 | Confident | 171 Ų | 171 | 39.7 Ų | 39.7 | 79% | 0.792 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 9.4 | -175.5 | -68.3 | -73.7 | 0 | 0 | 0 | 113.9 | S366 | S366-H368 PolarHBondContact O-N 3.13Š|
| 369 | L | 86.9 | Confident | 89.6 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 9% | 0.089 | 19% | 0.194 | C | C | . | . | trans | -79.5 | 132.8 | -178.7 | -59.4 | 177.8 | 0 | 0 | 0 | 111.7 | Y336 L364 S366 S367 L373 V374 | Y336-L369 HydrophobicContact CD2-CD2 4.38Å; Y336-L369 HydrophobicContact CE1-CD1 4.28Å; Y336-L369 HydrophobicContact CE1-CD2 3.86Å; Y336-L369 HydrophobicContact CE2-CD2 3.6Å; Y336-L369 VanDerWaalsContact OH-CD2 3.32Å; Y336-L369 WeakPolarHBondContact OH-CD2 3.48Å; L364-L369 HydrophobicContact CD2-CD1 4Å; S366-L369 WeakPolarHBondContact O-CG 3.34Å; S367-L369 VanDerWaalsContact C-N 3.29Å; S367-L369 PolarHBondContact O-N 3.23Å; L369-L373 HydrophobicContact CB-CD2 4.47Å; L369-L373 HydrophobicContact CD2-CD2 3.95Å; L369-V374 HydrophobicContact CB-CG2 4.1Å | ||
| 370 | P | 90.6 | Very high | 89.9 | Confident | 51 Ų | 51 | 35.6 Ų | 35.6 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | trans | -70.7 | 146.9 | 176.3 | 30.4 | -33.7 | 0 | 0 | 0 | 110.4 | Y372 L373 V374 | P370-Y372 VanDerWaalsContact C-N 3.28Å; P370-Y372 HydrophobicContact CB-CD1 3.63Å; P370-Y372 HydrophobicContact CB-CE1 3.33Å; P370-Y372 HydrophobicContact CG-CD1 3.96Å; P370-Y372 HydrophobicContact CG-CE1 3.31Å; P370-Y372 HydrophobicContact CG-CE2 4.25Å; P370-Y372 VanDerWaalsContact CG-CZ 3.47Å; P370-Y372 PolarHBondContact O-N 2.88Å; P370-L373 HydrophobicContact CG-CB 3.92Å; P370-L373 WeakPolarHBondContact O-CB 3.5Å; P370-L373 PolarHBondContact O-N 3.39Å; P370-V374 PolarHBondContact O-N 3.37Å | ||
| 371 | V | 90.6 | Very high | 90.1 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 28% | 0.279 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.5 | -37.6 | -173.7 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | L373 V374 A375 L441 | V371-L373 PolarHBondContact O-N 3.17Å; V371-V374 PolarHBondContact O-N 2.97Å; V371-A375 WeakPolarHBondContact O-CB 3.37Å; V371-A375 PolarHBondContact O-N 3.02Å; V371-L441 HydrophobicContact CG1-CD2 4.06Å |
| 372 | Y | 91.5 | Very high | 90.3 | Very high | 106 Ų | 106 | 33.8 Ų | 33.8 | 42% | 0.416 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.7 | -36.3 | 178.7 | 72.8 | -101.6 | 0 | 0 | 0 | 112 | P370 A376 A436 | P370-Y372 VanDerWaalsContact C-N 3.28Å; P370-Y372 HydrophobicContact CB-CD1 3.63Å; P370-Y372 HydrophobicContact CB-CE1 3.33Å; P370-Y372 HydrophobicContact CG-CD1 3.96Å; P370-Y372 HydrophobicContact CG-CE1 3.31Å; P370-Y372 HydrophobicContact CG-CE2 4.25Å; P370-Y372 VanDerWaalsContact CG-CZ 3.47Å; P370-Y372 PolarHBondContact O-N 2.88Å; Y372-A376 WeakPolarHBondContact O-CB 3.37Å; Y372-A376 PolarHBondContact O-N 3.49Å; Y372-A436 HydrophobicContact CD2-CB 4.07Å; Y372-A436 HydrophobicContact CE2-CB 3.7Å |
| 373 | L | 92.5 | Very high | 90.6 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.5 | -48.8 | -176.9 | -175.2 | 74.8 | 0 | 0 | 0 | 109.9 | Y336 L369 P370 V371 A375 A376 F377 P435 | Y336-L373 HydrophobicContact CD1-CD2 3.82Å; Y336-L373 HydrophobicContact CD2-CD2 4.15Å; Y336-L373 HydrophobicContact CE1-CD2 4.36Å; Y336-L373 HydrophobicContact CG-CD2 3.71Å; L369-L373 HydrophobicContact CB-CD2 4.47Å; L369-L373 HydrophobicContact CD2-CD2 3.95Å; P370-L373 HydrophobicContact CG-CB 3.92Å; P370-L373 WeakPolarHBondContact O-CB 3.5Å; P370-L373 PolarHBondContact O-N 3.39Å; V371-L373 PolarHBondContact O-N 3.17Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.42Å; L373-A376 WeakPolarHBondContact O-CB 3.3Å; L373-A376 PolarHBondContact O-N 3.26Å; L373-A376 VanDerWaalsContact O-N 3.16Å; L373-F377 HydrophobicContact CD1-CD2 4.32Å; L373-F377 HydrophobicContact CD1-CE2 3.9Å; L373-F377 HydrophobicContact CG-CD2 4.05Å; L373-F377 HydrophobicContact CG-CE2 3.96Å; L373-F377 VanDerWaalsContact O-CD2 3.26Å; L373-F377 WeakPolarHBondContact O-CD2 3.49Å; L373-F377 PolarHBondContact O-N 2.8Å; L373-P435 HydrophobicContact CD1-CB 3.76Å; L373-P435 HydrophobicContact CD1-CG 3.42Å; L373-P435 VanDerWaalsContact CD1-CG 3.42Å |
| 374 | V | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | L369 P370 V371 F377 A378 L403 H407 | L369-V374 HydrophobicContact CB-CG2 4.1Å; P370-V374 PolarHBondContact O-N 3.37Å; V371-V374 PolarHBondContact O-N 2.97Å; V374-F377 PolarHBondContact O-N 3.49Å; V374-A378 WeakPolarHBondContact O-CB 3.49Å; V374-A378 PolarHBondContact O-N 2.68Å; V374-L403 HydrophobicContact CG1-CB 3.99Å; V374-L403 HydrophobicContact CG1-CD2 4.37Å; V374-H407 HydrophobicContact CG1-CB 4.28Å |
| 375 | A | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V371 L373 A378 K379 L413 A440 L441 | V371-A375 WeakPolarHBondContact O-CB 3.37Å; V371-A375 PolarHBondContact O-N 3.02Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-A375 PolarHBondContact O-N 3.42Å; A375-A378 PolarHBondContact O-N 3.44Å; A375-K379 VanDerWaalsContact O-CB 3.3Å; A375-K379 WeakPolarHBondContact O-CB 3.31Å; A375-K379 PolarHBondContact O-N 2.94Å; A375-L413 HydrophobicContact CB-CD1 4.08Å; A375-A440 HydrophobicContact CB-CB 4.25Å; A375-L441 HydrophobicContact CB-CD2 3.4Å; A375-L441 VanDerWaalsContact CB-CD2 3.4Å; A375-L441 HydrophobicContact CB-CG 3.8Å |
| 376 | A | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y340 Y372 L373 K379 R380 P435 C438 A440 | Y340-A376 HydrophobicContact CE2-CB 3.96Å; Y372-A376 WeakPolarHBondContact O-CB 3.37Å; Y372-A376 PolarHBondContact O-N 3.49Å; L373-A376 WeakPolarHBondContact O-CB 3.3Å; L373-A376 PolarHBondContact O-N 3.26Å; L373-A376 VanDerWaalsContact O-N 3.16Å; A376-K379 PolarHBondContact O-N 2.94Å; A376-R380 VanDerWaalsContact O-CB 3.29Å; A376-R380 WeakPolarHBondContact O-CB 3.39Å; A376-R380 PolarHBondContact O-N 3.5Å; A376-P435 HydrophobicContact CB-CB 3.66Å; A376-C438 WeakPolarHBondContact CB-SG 3.38Å; A376-A440 HydrophobicContact CB-CB 4.28Å |
| 377 | F | 94.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 176.7 | -85.6 | -79.3 | 0 | 0 | 0 | 112.3 | Y336 L339 Y340 L343 L364 L373 V374 K379 R380 L381 L403 | Y336-F377 HydrophobicContact CD1-CE2 4.23Å; Y336-F377 HydrophobicContact CD1-CZ 4.49Å; L339-F377 HydrophobicContact CB-CZ 4.17Å; L339-F377 HydrophobicContact CD2-CE1 4.25Å; L339-F377 HydrophobicContact CD2-CZ 4.07Å; L339-F377 HydrophobicContact CG-CE1 4.02Å; L339-F377 HydrophobicContact CG-CZ 4.03Å; Y340-F377 HydrophobicContact CD2-CD1 4.28Å; Y340-F377 HydrophobicContact CD2-CE1 4.23Å; Y340-F377 HydrophobicContact CD2-CE2 4.47Å; Y340-F377 HydrophobicContact CD2-CG 4.42Å; Y340-F377 HydrophobicContact CD2-CZ 4.32Å; L343-F377 HydrophobicContact CD1-CD1 3.46Å; L343-F377 VanDerWaalsContact CD1-CD1 3.46Å; L343-F377 HydrophobicContact CD1-CE1 3.7Å; L364-F377 HydrophobicContact CD1-CB 4.12Å; L364-F377 HydrophobicContact CD1-CD1 4.03Å; L364-F377 HydrophobicContact CD1-CD2 4.49Å; L364-F377 HydrophobicContact CD1-CG 3.97Å; L364-F377 HydrophobicContact CD2-CD2 3.83Å; L364-F377 HydrophobicContact CD2-CE2 4.07Å; L364-F377 HydrophobicContact CD2-CG 4.15Å; L373-F377 HydrophobicContact CD1-CD2 4.32Å; L373-F377 HydrophobicContact CD1-CE2 3.9Å; L373-F377 HydrophobicContact CG-CD2 4.05Å; L373-F377 HydrophobicContact CG-CE2 3.96Å; L373-F377 VanDerWaalsContact O-CD2 3.26Å; L373-F377 WeakPolarHBondContact O-CD2 3.49Å; L373-F377 PolarHBondContact O-N 2.8Å; V374-F377 PolarHBondContact O-N 3.49Å; F377-K379 PolarHBondContact O-N 3.24Å; F377-R380 PolarHBondContact O-N 3.39Å; F377-L381 WeakPolarHBondContact O-CB 3.3Å; F377-L381 VanDerWaalsContact O-CG 3.27Å; F377-L381 WeakPolarHBondContact O-CG 3.39Å; F377-L381 PolarHBondContact O-N 2.9Å; F377-L403 HydrophobicContact CB-CD1 4.43Å |
| 378 | A | 94.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V374 A375 L381 A382 I400 L403 | V374-A378 WeakPolarHBondContact O-CB 3.49Å; V374-A378 PolarHBondContact O-N 2.68Å; A375-A378 PolarHBondContact O-N 3.44Å; A378-L381 PolarHBondContact O-N 3.45Å; A378-A382 WeakPolarHBondContact O-CB 3.37Å; A378-A382 PolarHBondContact O-N 3.46Å; A378-I400 HydrophobicContact CB-CG2 4.32Å; A378-L403 HydrophobicContact CB-CD1 4.24Å |
| 379 | K | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.7 | -42.1 | 179.2 | -177.7 | 61.4 | 179.3 | -175.3 | 0 | 112.2 | A375 A376 F377 A382 R383 D426 Y428 A440 S443 S444 L445 E447 | A375-K379 VanDerWaalsContact O-CB 3.3Å; A375-K379 WeakPolarHBondContact O-CB 3.31Å; A375-K379 PolarHBondContact O-N 2.94Å; A376-K379 PolarHBondContact O-N 2.94Å; F377-K379 PolarHBondContact O-N 3.24Å; K379-A382 PolarHBondContact O-N 3.07Å; K379-R383 PolarHBondContact O-N 3.23Å; K379-D426 IonicContact NZ-OD1 3.6Å; K379-D426 IonicContact NZ-OD2 2.76Å; K379-D426 PolarHBondContact NZ-OD2 3.13Å; K379-Y428 HydrophobicContact CB-CD2 4.34Å; K379-Y428 HydrophobicContact CB-CE2 4.09Å; K379-Y428 HydrophobicContact CD-CD1 4.44Å; K379-Y428 HydrophobicContact CD-CG 4.39Å; K379-Y428 HydrophobicContact CG-CD1 3.8Å; K379-Y428 HydrophobicContact CG-CD2 3.54Å; K379-Y428 HydrophobicContact CG-CE1 3.9Å; K379-Y428 HydrophobicContact CG-CE2 3.62Å; K379-Y428 HydrophobicContact CG-CG 3.62Å; K379-A440 HydrophobicContact CB-CB 4.04Å; K379-A440 HydrophobicContact CG-CB 4.44Å; K379-S443 WeakPolarHBondContact CD-OG 3.45Å; K379-S443 WeakPolarHBondContact CE-OG 3.31Å; K379-S443 PolarHBondContact NZ-OG 3.13Å; K379-S443 VanDerWaalsContact NZ-OG 3.08Å; K379-S444 PolarHBondContact NZ-O 3.29Å; K379-L445 HydrophobicContact CD-CD2 4.14Å; K379-E447 VanDerWaalsContact CE-OE1 3.27Å; K379-E447 WeakPolarHBondContact CE-OE1 3.2Å; K379-E447 VanDerWaalsContact NZ-CD 3.34Å; K379-E447 IonicContact NZ-OE1 2.62Å; K379-E447 PolarHBondContact NZ-OE1 3.33Å; K379-E447 IonicContact NZ-OE2 3.4Å; K379-E447 PolarHBondContact NZ-OE2 3.4Å; K379-E447 VanDerWaalsContact NZ-OE2 3.13Å |
| 380 | R | 94.1 | Very high | 92.7 | Very high | 19 Ų | 19 | 25 Ų | 25 | 7% | 0.072 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61 | -47 | 175.1 | -172.8 | 161.3 | -178.3 | 144.7 | -3.3 | 111.4 | Y340 L343 A376 F377 A382 R383 L384 Y428 M430 | Y340-R380 VanDerWaalsContact CD1-NH1 3.31Å; Y340-R380 HydrophobicContact CD2-CB 4.46Å; Y340-R380 HydrophobicContact CE2-CB 3.63Å; Y340-R380 HydrophobicContact CE2-CG 4.03Å; Y340-R380 PolarHBondContact O-NE 3.37Å; L343-R380 HydrophobicContact CB-CG 4.36Å; L343-R380 PolarHBondContact O-NE 2.93Å; L343-R380 PolarHBondContact O-NH2 3.4Å; A376-R380 VanDerWaalsContact O-CB 3.29Å; A376-R380 WeakPolarHBondContact O-CB 3.39Å; A376-R380 PolarHBondContact O-N 3.5Å; F377-R380 PolarHBondContact O-N 3.39Å; R380-A382 VanDerWaalsContact C-N 3.32Å; R380-A382 PolarHBondContact O-N 2.86Å; R380-R383 PolarHBondContact O-N 3.38Å; R380-L384 HydrophobicContact CG-CD1 4.05Å; R380-L384 HydrophobicContact CG-CG 4.45Å; R380-L384 WeakPolarHBondContact O-CB 3.43Å; R380-L384 VanDerWaalsContact O-CG 3.23Å; R380-L384 WeakPolarHBondContact O-CG 3.25Å; R380-L384 PolarHBondContact O-N 3.33Å; R380-Y428 WeakPolarHBondContact CA-OH 3.36Å; R380-Y428 WeakPolarHBondContact CB-OH 3.33Å; R380-M430 HydrophobicContact CG-CE 3.71Å; R380-M430 HydrophobicContact CG-SD 4.05Å |
| 381 | L | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 175.7 | -73.6 | 173 | 0 | 0 | 0 | 112.1 | L343 F357 F377 A378 L384 A385 V396 F399 I400 | L343-L381 HydrophobicContact CD1-CD2 4.01Å; L343-L381 HydrophobicContact CD1-CG 4.16Å; L343-L381 HydrophobicContact CD2-CD2 3.88Å; F357-L381 HydrophobicContact CE1-CD2 3.95Å; F357-L381 HydrophobicContact CZ-CD2 4.47Å; F377-L381 WeakPolarHBondContact O-CB 3.3Å; F377-L381 VanDerWaalsContact O-CG 3.27Å; F377-L381 WeakPolarHBondContact O-CG 3.39Å; F377-L381 PolarHBondContact O-N 2.9Å; A378-L381 PolarHBondContact O-N 3.45Å; L381-L384 PolarHBondContact O-N 2.86Å; L381-A385 VanDerWaalsContact O-CB 3.3Å; L381-A385 WeakPolarHBondContact O-CB 3.47Å; L381-A385 PolarHBondContact O-N 3.1Å; L381-V396 HydrophobicContact CB-CG1 4.12Å; L381-F399 HydrophobicContact CD1-CD1 3.47Å; L381-F399 VanDerWaalsContact CD1-CD1 3.47Å; L381-F399 HydrophobicContact CD1-CE1 3.48Å; L381-F399 VanDerWaalsContact CD1-CE1 3.48Å; L381-I400 HydrophobicContact CB-CD1 4.04Å; L381-I400 HydrophobicContact CB-CG1 4.03Å; L381-I400 HydrophobicContact CD1-CG1 4.49Å |
| 382 | A | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A378 K379 R380 A385 I400 L445 E447 I448 | A378-A382 WeakPolarHBondContact O-CB 3.37Å; A378-A382 PolarHBondContact O-N 3.46Å; K379-A382 PolarHBondContact O-N 3.07Å; R380-A382 VanDerWaalsContact C-N 3.32Å; R380-A382 PolarHBondContact O-N 2.86Å; A382-A385 WeakPolarHBondContact O-CB 3.48Å; A382-A385 PolarHBondContact O-N 3.2Å; A382-I400 HydrophobicContact CB-CD1 4.07Å; A382-L445 HydrophobicContact CB-CD2 3.57Å; A382-E447 HydrophobicContact CB-CB 4.16Å; A382-E447 VanDerWaalsContact O-CB 3.31Å; A382-E447 WeakPolarHBondContact O-CB 3.36Å; A382-I448 HydrophobicContact CB-CG1 4.44Å |
| 383 | R | 93.7 | Very high | 92.7 | Very high | 56 Ų | 56 | 15.6 Ų | 15.6 | 21% | 0.211 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 174.4 | -164.4 | 79.2 | 98.3 | -158.6 | 9.7 | 111.5 | K379 R380 A385 L386 D426 M430 E447 | K379-R383 PolarHBondContact O-N 3.23Å; R380-R383 PolarHBondContact O-N 3.38Å; R383-A385 VanDerWaalsContact C-N 3.28Å; R383-A385 PolarHBondContact O-N 2.99Å; R383-L386 WeakPolarHBondContact O-CB 3.33Å; R383-L386 PolarHBondContact O-N 3.15Å; R383-D426 IonicContact CZ-OD2 3.79Å; R383-D426 IonicContact NH1-OD2 3.02Å; R383-D426 PolarHBondContact NH1-OD2 3.41Å; R383-D426 IonicContact NH2-OD2 2.87Å; R383-D426 PolarHBondContact NH2-OD2 3.44Å; R383-M430 HydrophobicContact CB-SD 4.03Å; R383-M430 HydrophobicContact CG-CG 4.48Å; R383-M430 HydrophobicContact CG-SD 3.98Å; R383-E447 WeakPolarHBondContact CD-OE1 3.39Å; R383-E447 IonicContact CZ-OE1 2.77Å; R383-E447 IonicContact NE-OE1 3.05Å; R383-E447 IonicContact NH1-OE1 3.18Å; R383-E447 PolarHBondContact NH1-OE1 3.21Å |
| 384 | L | 93 | Very high | 92.6 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.3 | -32.6 | 178.8 | -66.6 | 172.8 | 0 | 0 | 0 | 112.2 | L343 P345 F348 R380 L381 L386 T387 A388 M430 | L343-L384 HydrophobicContact CB-CD1 3.88Å; L343-L384 WeakPolarHBondContact O-CD1 3.46Å; P345-L384 HydrophobicContact CB-CD2 4.48Å; P345-L384 HydrophobicContact CG-CD2 3.72Å; F348-L384 HydrophobicContact CE2-CB 3.71Å; F348-L384 HydrophobicContact CZ-CB 4.08Å; R380-L384 HydrophobicContact CG-CD1 4.05Å; R380-L384 HydrophobicContact CG-CG 4.45Å; R380-L384 WeakPolarHBondContact O-CB 3.43Å; R380-L384 VanDerWaalsContact O-CG 3.23Å; R380-L384 WeakPolarHBondContact O-CG 3.25Å; R380-L384 PolarHBondContact O-N 3.33Å; L381-L384 PolarHBondContact O-N 2.86Å; L384-L386 PolarHBondContact O-N 3.13Å; L384-T387 PolarHBondContact O-N 3.01Å; L384-T387 VanDerWaalsContact O-N 3.08Å; L384-T387 PolarHBondContact O-OG1 2.93Å; L384-A388 PolarHBondContact O-N 3.11Å; L384-M430 HydrophobicContact CD2-CE 3.75Å; L384-M430 HydrophobicContact CG-CE 3.98Å |
| 385 | A | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.8 | -31.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L381 A382 R383 T387 A388 L393 V396 L451 | L381-A385 VanDerWaalsContact O-CB 3.3Å; L381-A385 WeakPolarHBondContact O-CB 3.47Å; L381-A385 PolarHBondContact O-N 3.1Å; A382-A385 WeakPolarHBondContact O-CB 3.48Å; A382-A385 PolarHBondContact O-N 3.2Å; R383-A385 VanDerWaalsContact C-N 3.28Å; R383-A385 PolarHBondContact O-N 2.99Å; A385-T387 PolarHBondContact O-N 3.4Å; A385-T387 VanDerWaalsContact O-N 3.11Å; A385-A388 WeakPolarHBondContact O-CB 3.48Å; A385-A388 PolarHBondContact O-N 3.33Å; A385-L393 HydrophobicContact CB-CD2 3.61Å; A385-L393 WeakPolarHBondContact O-CD2 3.39Å; A385-V396 HydrophobicContact CB-CG1 4.24Å; A385-L451 HydrophobicContact CB-CD1 3.91Å |
| 386 | L | 92.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 16.3 Ų | 16.3 | 36% | 0.356 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.6 | 177.5 | -65.2 | 178.5 | 0 | 0 | 0 | 113.9 | R383 L384 W446 E447 L451 | R383-L386 WeakPolarHBondContact O-CB 3.33Å; R383-L386 PolarHBondContact O-N 3.15Å; L384-L386 PolarHBondContact O-N 3.13Å; L386-W446 HydrophobicContact CD1-CH2 4.2Å; L386-W446 HydrophobicContact CD1-CZ3 4.15Å; L386-E447 HydrophobicContact CD1-CB 4.26Å; L386-E447 HydrophobicContact CD1-CG 3.72Å; L386-E447 HydrophobicContact CD2-CB 3.96Å; L386-E447 HydrophobicContact CD2-CG 4.35Å; L386-E447 HydrophobicContact CG-CB 4.02Å; L386-E447 HydrophobicContact CG-CG 4Å; L386-L451 HydrophobicContact CD2-CG 4.5Å |
| 387 | T | 91.3 | Very high | 92.4 | Very high | 94 Ų | 94 | 16.3 Ų | 16.3 | 58% | 0.577 | 9% | 0.09 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -1.9 | 179.3 | 61 | 0 | 0 | 0 | 0 | 113.1 | L384 A385 | L384-T387 PolarHBondContact O-N 3.01Å; L384-T387 VanDerWaalsContact O-N 3.08Å; L384-T387 PolarHBondContact O-OG1 2.93Å; A385-T387 PolarHBondContact O-N 3.4Å; A385-T387 VanDerWaalsContact O-N 3.11Å |
| 388 | A | 91.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 9% | 0.091 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -83.4 | 148.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F348 L384 A385 A392 L393 | F348-A388 HydrophobicContact CD2-CB 3.62Å; F348-A388 HydrophobicContact CE2-CB 3.68Å; F348-A388 HydrophobicContact CG-CB 4.15Å; F348-A388 HydrophobicContact CZ-CB 4.3Å; L384-A388 PolarHBondContact O-N 3.11Å; A385-A388 WeakPolarHBondContact O-CB 3.48Å; A385-A388 PolarHBondContact O-N 3.33Å; A388-A392 HydrophobicContact CB-CB 4.12Å; A388-L393 HydrophobicContact CB-CD2 4.12Å; A388-L393 HydrophobicContact CB-CG 4.22Å |
| 389 | P | 91.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 17.2 Ų | 17.2 | 21% | 0.208 | 10% | 0.095 | C | C | . | . | trans | -67.9 | 158.4 | 172.8 | 28.5 | -34.6 | 0 | 0 | 0 | 111.7 | T391 A392 L393 | P389-T391 PolarHBondContact O-N 3Å; P389-T391 VanDerWaalsContact O-N 3.13Å; P389-A392 HydrophobicContact CG-CB 3.88Å; P389-A392 WeakPolarHBondContact O-CB 3.47Å; P389-A392 PolarHBondContact O-N 3.12Å; P389-L393 PolarHBondContact O-N 3.24Å | ||
| 390 | P | 89.9 | Confident | 92.1 | Very high | 21 Ų | 21 | 17.2 Ų | 17.2 | 14% | 0.136 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -53.6 | -38.5 | -179.2 | -26.7 | 32.9 | 0 | 0 | 0 | 114.1 | A392 L393 L394 Y455 V459 L488 | P390-A392 VanDerWaalsContact C-N 3.3Å; P390-A392 PolarHBondContact O-N 2.83Å; P390-L393 WeakPolarHBondContact O-CB 3.48Å; P390-L393 PolarHBondContact O-N 3.04Å; P390-L394 WeakPolarHBondContact O-CG 2.94Å; P390-L394 PolarHBondContact O-N 3.23Å; P390-Y455 WeakPolarHBondContact CD-OH 3.29Å; P390-Y455 HydrophobicContact CG-CE1 4.45Å; P390-Y455 HydrophobicContact CG-CE2 4.34Å; P390-Y455 WeakPolarHBondContact CG-OH 3.18Å; P390-V459 HydrophobicContact CB-CG2 4.09Å; P390-L488 HydrophobicContact CB-CD2 4.17Å |
| 391 | T | 89.6 | Confident | 92 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 177.8 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | P389 L488 | P389-T391 PolarHBondContact O-N 3Å; P389-T391 VanDerWaalsContact O-N 3.13Å; T391-L488 HydrophobicContact CG2-CB 4.26Å; T391-L488 HydrophobicContact CG2-CD2 3.78Å |
| 392 | A | 90.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -75.4 | -36.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F348 A388 P389 P390 L394 M395 V396 | F348-A392 HydrophobicContact CB-CB 3.93Å; F348-A392 HydrophobicContact CD1-CB 3.62Å; F348-A392 HydrophobicContact CE1-CB 4.31Å; F348-A392 HydrophobicContact CG-CB 3.88Å; A388-A392 HydrophobicContact CB-CB 4.12Å; P389-A392 HydrophobicContact CG-CB 3.88Å; P389-A392 WeakPolarHBondContact O-CB 3.47Å; P389-A392 PolarHBondContact O-N 3.12Å; P390-A392 VanDerWaalsContact C-N 3.3Å; P390-A392 PolarHBondContact O-N 2.83Å; A392-L394 VanDerWaalsContact C-N 3.34Å; A392-L394 PolarHBondContact O-N 3.46Å; A392-M395 WeakPolarHBondContact O-CB 3.36Å; A392-M395 PolarHBondContact O-N 3.33Å; A392-M395 VanDerWaalsContact O-N 3.1Å; A392-V396 WeakPolarHBondContact O-CB 3.46Å; A392-V396 VanDerWaalsContact O-CG2 3.25Å; A392-V396 WeakPolarHBondContact O-CG2 3.41Å; A392-V396 PolarHBondContact O-N 2.82Å |
| 393 | L | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 177 | -72.5 | 175.9 | 0 | 0 | 0 | 112.7 | A385 A388 P389 P390 M395 V396 L397 L451 V459 | A385-L393 HydrophobicContact CB-CD2 3.61Å; A385-L393 WeakPolarHBondContact O-CD2 3.39Å; A388-L393 HydrophobicContact CB-CD2 4.12Å; A388-L393 HydrophobicContact CB-CG 4.22Å; P389-L393 PolarHBondContact O-N 3.24Å; P390-L393 WeakPolarHBondContact O-CB 3.48Å; P390-L393 PolarHBondContact O-N 3.04Å; L393-M395 PolarHBondContact O-N 3.27Å; L393-V396 PolarHBondContact O-N 3.43Å; L393-L397 WeakPolarHBondContact O-CB 3.22Å; L393-L397 WeakPolarHBondContact O-CG 3.32Å; L393-L397 PolarHBondContact O-N 2.88Å; L393-L451 HydrophobicContact CD1-CD2 4.09Å; L393-L451 HydrophobicContact CD2-CD1 3.9Å; L393-L451 HydrophobicContact CD2-CD2 4.16Å; L393-V459 HydrophobicContact CB-CG1 3.9Å; L393-V459 HydrophobicContact CB-CG2 4.18Å; L393-V459 HydrophobicContact CD1-CG1 3.77Å; L393-V459 HydrophobicContact CG-CG1 4.41Å |
| 394 | L | 91 | Very high | 91.4 | Very high | 21 Ų | 21 | 13.6 Ų | 13.6 | 11% | 0.11 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -26.8 | 176.5 | -69 | 175.6 | 0 | 0 | 0 | 112.7 | P390 A392 P398 D458 V459 A462 V480 L488 | P390-L394 WeakPolarHBondContact O-CG 2.94Å; P390-L394 PolarHBondContact O-N 3.23Å; A392-L394 VanDerWaalsContact C-N 3.34Å; A392-L394 PolarHBondContact O-N 3.46Å; L394-P398 WeakPolarHBondContact O-CD 3.39Å; L394-P398 WeakPolarHBondContact O-CG 3.23Å; L394-D458 HydrophobicContact CD2-CB 4.25Å; L394-V459 HydrophobicContact CD2-CG2 3.89Å; L394-V459 HydrophobicContact CG-CG2 4.02Å; L394-A462 HydrophobicContact CD2-CB 4.5Å; L394-V480 HydrophobicContact CB-CG1 3.97Å; L394-V480 WeakPolarHBondContact O-CG1 3.33Å; L394-L488 HydrophobicContact CD1-CD1 4.03Å; L394-L488 HydrophobicContact CD1-CD2 4.49Å |
| 395 | M | 91.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -85.2 | -45.5 | 175.3 | 179 | -164.9 | -50.3 | 0 | 0 | 112.3 | F357 A392 L393 P398 F399 I477 V480 L481 | F357-M395 HydrophobicContact CB-SD 3.62Å; F357-M395 HydrophobicContact CD1-SD 4.29Å; F357-M395 HydrophobicContact CD2-SD 3.39Å; F357-M395 WeakPolarHBondContact CD2-SD 3.33Å; F357-M395 HydrophobicContact CE2-SD 4.15Å; F357-M395 HydrophobicContact CG-SD 3.49Å; F357-M395 WeakPolarHBondContact CG-SD 3.21Å; A392-M395 WeakPolarHBondContact O-CB 3.36Å; A392-M395 PolarHBondContact O-N 3.33Å; A392-M395 VanDerWaalsContact O-N 3.1Å; L393-M395 PolarHBondContact O-N 3.27Å; M395-P398 WeakPolarHBondContact O-CD 3.43Å; M395-F399 WeakPolarHBondContact O-CB 3.13Å; M395-F399 PolarHBondContact O-N 3.34Å; M395-I477 HydrophobicContact CG-CG2 4.1Å; M395-V480 HydrophobicContact CB-CG1 4.3Å; M395-L481 HydrophobicContact CE-CD2 4.04Å; M395-L481 WeakPolarHBondContact CE-O 3.39Å; M395-L481 HydrophobicContact CG-CD2 3.73Å; M395-L481 HydrophobicContact SD-CD2 3.51Å; M395-L481 VanDerWaalsContact SD-CD2 3.51Å |
| 396 | V | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.2 | -36.1 | -173.5 | 171.6 | 0 | 0 | 0 | 0 | 111.9 | F348 F357 L381 A385 A392 L393 F399 I400 | F348-V396 HydrophobicContact CD1-CG2 4.37Å; F348-V396 HydrophobicContact CE1-CG2 3.38Å; F348-V396 HydrophobicContact CZ-CG2 3.8Å; F357-V396 HydrophobicContact CE1-CG2 4.49Å; F357-V396 HydrophobicContact CZ-CG2 4.48Å; L381-V396 HydrophobicContact CB-CG1 4.12Å; A385-V396 HydrophobicContact CB-CG1 4.24Å; A392-V396 WeakPolarHBondContact O-CB 3.46Å; A392-V396 VanDerWaalsContact O-CG2 3.25Å; A392-V396 WeakPolarHBondContact O-CG2 3.41Å; A392-V396 PolarHBondContact O-N 2.82Å; L393-V396 PolarHBondContact O-N 3.43Å; V396-F399 WeakPolarHBondContact O-CB 3.33Å; V396-F399 PolarHBondContact O-N 2.87Å; V396-I400 HydrophobicContact CG1-CD1 3.67Å; V396-I400 HydrophobicContact CG1-CG1 4.19Å; V396-I400 VanDerWaalsContact O-CG1 3.32Å; V396-I400 WeakPolarHBondContact O-CG1 3.19Å; V396-I400 PolarHBondContact O-N 3.47Å |
| 397 | L | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.6 | -54.2 | -179.6 | -71.5 | 169.8 | 0 | 0 | 0 | 112.1 | L393 F399 I400 Y401 I448 L451 V459 A462 A463 | L393-L397 WeakPolarHBondContact O-CB 3.22Å; L393-L397 WeakPolarHBondContact O-CG 3.32Å; L393-L397 PolarHBondContact O-N 2.88Å; L397-F399 PolarHBondContact O-N 3.24Å; L397-I400 PolarHBondContact O-N 3.12Å; L397-Y401 HydrophobicContact CB-CE2 4.3Å; L397-Y401 WeakPolarHBondContact O-CD2 3.38Å; L397-Y401 PolarHBondContact O-N 3.48Å; L397-I448 HydrophobicContact CD2-CG1 4.43Å; L397-I448 HydrophobicContact CD2-CG2 4.19Å; L397-L451 HydrophobicContact CD2-CD1 4.16Å; L397-V459 HydrophobicContact CD1-CG1 4.24Å; L397-A462 HydrophobicContact CD1-CB 3.91Å; L397-A463 HydrophobicContact CD1-CB 4.1Å |
| 398 | P | 91.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 14.5 Ų | 14.5 | 14% | 0.136 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.2 | -36.9 | 171.5 | -25.3 | 34.6 | 0 | 0 | 0 | 113.1 | L394 M395 Y401 N402 I477 | L394-P398 WeakPolarHBondContact O-CD 3.39Å; L394-P398 WeakPolarHBondContact O-CG 3.23Å; M395-P398 WeakPolarHBondContact O-CD 3.43Å; P398-Y401 PolarHBondContact O-N 3.5Å; P398-N402 WeakPolarHBondContact O-CB 3.26Å; P398-N402 PolarHBondContact O-N 3.37Å; P398-I477 HydrophobicContact CB-CG1 4.42Å |
| 399 | F | 92 | Very high | 90.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.9 | -49.2 | 176.3 | -168.9 | -78 | 0 | 0 | 0 | 111.9 | F357 A360 N361 L364 L381 M395 V396 L397 Y401 N402 L403 I477 | F357-F399 HydrophobicContact CD1-CD2 4.39Å; F357-F399 HydrophobicContact CD1-CE2 4.31Å; A360-F399 HydrophobicContact CB-CE2 4.31Å; A360-F399 HydrophobicContact CB-CZ 4.06Å; N361-F399 HydrophobicContact CB-CD2 4.23Å; N361-F399 HydrophobicContact CB-CE2 3.61Å; N361-F399 HydrophobicContact CB-CZ 4.42Å; L364-F399 HydrophobicContact CD1-CE1 3.92Å; L364-F399 HydrophobicContact CD1-CZ 3.93Å; L381-F399 HydrophobicContact CD1-CD1 3.47Å; L381-F399 VanDerWaalsContact CD1-CD1 3.47Å; L381-F399 HydrophobicContact CD1-CE1 3.48Å; L381-F399 VanDerWaalsContact CD1-CE1 3.48Å; M395-F399 WeakPolarHBondContact O-CB 3.13Å; M395-F399 PolarHBondContact O-N 3.34Å; V396-F399 WeakPolarHBondContact O-CB 3.33Å; V396-F399 PolarHBondContact O-N 2.87Å; L397-F399 PolarHBondContact O-N 3.24Å; F399-Y401 VanDerWaalsContact C-N 3.3Å; F399-Y401 PolarHBondContact O-N 3.46Å; F399-N402 PolarHBondContact O-N 3.13Å; F399-L403 HydrophobicContact CD1-CD1 4.01Å; F399-L403 HydrophobicContact CD1-CG 4.15Å; F399-L403 HydrophobicContact CE1-CD1 3.78Å; F399-L403 HydrophobicContact CE1-CD2 4.28Å; F399-L403 HydrophobicContact CE1-CG 4.05Å; F399-L403 WeakPolarHBondContact O-CG 3.36Å; F399-L403 PolarHBondContact O-N 2.87Å; F399-I477 HydrophobicContact CB-CD1 4.02Å; F399-I477 HydrophobicContact CD2-CD1 3.85Å; F399-I477 HydrophobicContact CG-CD1 4.28Å |
| 400 | I | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 176.4 | -66.1 | 164.7 | 0 | 0 | 0 | 110.4 | A378 L381 A382 V396 L397 L403 I404 I448 | A378-I400 HydrophobicContact CB-CG2 4.32Å; L381-I400 HydrophobicContact CB-CD1 4.04Å; L381-I400 HydrophobicContact CB-CG1 4.03Å; L381-I400 HydrophobicContact CD1-CG1 4.49Å; A382-I400 HydrophobicContact CB-CD1 4.07Å; V396-I400 HydrophobicContact CG1-CD1 3.67Å; V396-I400 HydrophobicContact CG1-CG1 4.19Å; V396-I400 VanDerWaalsContact O-CG1 3.32Å; V396-I400 WeakPolarHBondContact O-CG1 3.19Å; V396-I400 PolarHBondContact O-N 3.47Å; L397-I400 PolarHBondContact O-N 3.12Å; I400-L403 WeakPolarHBondContact O-CB 3.38Å; I400-L403 PolarHBondContact O-N 3.19Å; I400-I404 HydrophobicContact CG2-CD1 3.9Å; I400-I404 WeakPolarHBondContact O-CG1 3.39Å; I400-I404 PolarHBondContact O-N 3.14Å; I400-I404 VanDerWaalsContact O-N 3.09Å; I400-I448 HydrophobicContact CD1-CD1 4.49Å; I400-I448 HydrophobicContact CG2-CD1 3.98Å |
| 401 | Y | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.7 | -59 | -23.7 | 0 | 0 | 0 | 112.2 | L397 P398 F399 L403 I404 R405 I448 A462 A463 L465 I466 M470 | L397-Y401 HydrophobicContact CB-CE2 4.3Å; L397-Y401 WeakPolarHBondContact O-CD2 3.38Å; L397-Y401 PolarHBondContact O-N 3.48Å; P398-Y401 PolarHBondContact O-N 3.5Å; F399-Y401 VanDerWaalsContact C-N 3.3Å; F399-Y401 PolarHBondContact O-N 3.46Å; Y401-L403 VanDerWaalsContact C-N 3.31Å; Y401-L403 PolarHBondContact O-N 3.32Å; Y401-I404 PolarHBondContact O-N 3.48Å; Y401-R405 WeakPolarHBondContact O-CB 3.4Å; Y401-R405 VanDerWaalsContact O-CG 3.28Å; Y401-R405 WeakPolarHBondContact O-CG 3.4Å; Y401-R405 PolarHBondContact O-N 2.89Å; Y401-I448 HydrophobicContact CE1-CD1 4.39Å; Y401-A462 VanDerWaalsContact CE2-O 3.24Å; Y401-A462 WeakPolarHBondContact CE2-O 3.29Å; Y401-A462 PolarHBondContact OH-O 3.05Å; Y401-A463 VanDerWaalsContact OH-CA 3.29Å; Y401-A463 WeakPolarHBondContact OH-CA 3.3Å; Y401-A463 PolarHBondContact OH-O 2.97Å; Y401-L465 HydrophobicContact CE2-CB 4.01Å; Y401-I466 HydrophobicContact CE1-CB 3.86Å; Y401-I466 HydrophobicContact CE1-CD1 4.08Å; Y401-I466 HydrophobicContact CE1-CG1 4.04Å; Y401-M470 HydrophobicContact CD1-CE 4.05Å |
| 402 | N | 90.8 | Very high | 90 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.1 | -73.8 | -10.8 | 0 | 0 | 0 | 111.4 | P398 F399 I404 R405 R406 D475 I477 | P398-N402 WeakPolarHBondContact O-CB 3.26Å; P398-N402 PolarHBondContact O-N 3.37Å; F399-N402 PolarHBondContact O-N 3.13Å; N402-I404 PolarHBondContact O-N 3.14Å; N402-R405 PolarHBondContact O-N 3.48Å; N402-R406 WeakPolarHBondContact O-CB 3.45Å; N402-R406 VanDerWaalsContact O-CG 3.25Å; N402-R406 WeakPolarHBondContact O-CG 3.35Å; N402-R406 PolarHBondContact O-N 3.16Å; N402-D475 PolarHBondContact ND2-O 2.93Å; N402-D475 PolarHBondContact OD1-N 2.91Å; N402-D475 VanDerWaalsContact OD1-N 3.17Å; N402-I477 WeakPolarHBondContact ND2-CD1 3.33Å |
| 403 | L | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 173 | -67.8 | -176.7 | 0 | 0 | 0 | 112.6 | L364 V374 F377 A378 F399 I400 Y401 H407 | L364-L403 HydrophobicContact CB-CD2 3.66Å; L364-L403 HydrophobicContact CD1-CD1 4.23Å; L364-L403 HydrophobicContact CD1-CD2 3.94Å; L364-L403 HydrophobicContact CG-CD2 4.4Å; V374-L403 HydrophobicContact CG1-CB 3.99Å; V374-L403 HydrophobicContact CG1-CD2 4.37Å; F377-L403 HydrophobicContact CB-CD1 4.43Å; A378-L403 HydrophobicContact CB-CD1 4.24Å; F399-L403 HydrophobicContact CD1-CD1 4.01Å; F399-L403 HydrophobicContact CD1-CG 4.15Å; F399-L403 HydrophobicContact CE1-CD1 3.78Å; F399-L403 HydrophobicContact CE1-CD2 4.28Å; F399-L403 HydrophobicContact CE1-CG 4.05Å; F399-L403 WeakPolarHBondContact O-CG 3.36Å; F399-L403 PolarHBondContact O-N 2.87Å; I400-L403 WeakPolarHBondContact O-CB 3.38Å; I400-L403 PolarHBondContact O-N 3.19Å; Y401-L403 VanDerWaalsContact C-N 3.31Å; Y401-L403 PolarHBondContact O-N 3.32Å; L403-H407 PolarHBondContact O-N 3.47Å |
| 404 | I | 89.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73 | -34.2 | -179.9 | -62.3 | 170.1 | 0 | 0 | 0 | 111.3 | I400 Y401 N402 H407 C410 R411 I414 L445 M470 | I400-I404 HydrophobicContact CG2-CD1 3.9Å; I400-I404 WeakPolarHBondContact O-CG1 3.39Å; I400-I404 PolarHBondContact O-N 3.14Å; I400-I404 VanDerWaalsContact O-N 3.09Å; Y401-I404 PolarHBondContact O-N 3.48Å; N402-I404 PolarHBondContact O-N 3.14Å; I404-H407 CarbonylContact O-C 3.28Å; I404-H407 VanDerWaalsContact O-C 3.28Å; I404-H407 PolarHBondContact O-N 3.24Å; I404-C410 HydrophobicContact CG1-CB 4.35Å; I404-R411 HydrophobicContact CG2-CG 3.94Å; I404-I414 HydrophobicContact CD1-CD1 3.92Å; I404-I414 HydrophobicContact CD1-CG1 4.24Å; I404-I414 HydrophobicContact CG2-CD1 4.03Å; I404-L445 HydrophobicContact CD1-CD1 3.72Å; I404-M470 HydrophobicContact CG2-SD 4.14Å |
| 405 | R | 88.3 | Confident | 89.4 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.5 | -72.9 | 177.9 | -163 | 173.9 | 16 | 110.8 | Y401 N402 H407 M470 T471 Q473 D475 | Y401-R405 WeakPolarHBondContact O-CB 3.4Å; Y401-R405 VanDerWaalsContact O-CG 3.28Å; Y401-R405 WeakPolarHBondContact O-CG 3.4Å; Y401-R405 PolarHBondContact O-N 2.89Å; N402-R405 PolarHBondContact O-N 3.48Å; R405-H407 PolarHBondContact O-N 3Å; R405-M470 HydrophobicContact CG-CB 4.29Å; R405-M470 HydrophobicContact CG-SD 4.17Å; R405-T471 WeakPolarHBondContact CD-O 2.96Å; R405-Q473 PolarHBondContact NH1-O 2.91Å; R405-D475 IonicContact CZ-OD1 3.67Å; R405-D475 IonicContact CZ-OD2 3.41Å; R405-D475 IonicContact NH1-OD1 2.81Å; R405-D475 PolarHBondContact NH1-OD1 2.68Å; R405-D475 IonicContact NH1-OD2 3.26Å; R405-D475 PolarHBondContact NH1-OD2 2.9Å; R405-D475 IonicContact NH2-OD1 3.56Å; R405-D475 IonicContact NH2-OD2 2.8Å; R405-D475 PolarHBondContact NH2-OD2 3.1Å |
| 406 | R | 87.3 | Confident | 88.9 | Confident | 52 Ų | 52 | 35.5 Ų | 35.5 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 177 | -71.8 | 173.9 | -173 | 162.8 | 9.2 | 113.3 | N361 N402 P408 E474 | N361-R406 PolarHBondContact O-NH1 3.4Å; N361-R406 PolarHBondContact OD1-NH1 2.99Å; N361-R406 PolarHBondContact OD1-NH2 3.34Å; N402-R406 WeakPolarHBondContact O-CB 3.45Å; N402-R406 VanDerWaalsContact O-CG 3.25Å; N402-R406 WeakPolarHBondContact O-CG 3.35Å; N402-R406 PolarHBondContact O-N 3.16Å; R406-P408 WeakPolarHBondContact O-CD 3.27Å; R406-E474 WeakPolarHBondContact CG-OE1 3.27Å; R406-E474 IonicContact CZ-OE1 3.84Å; R406-E474 IonicContact CZ-OE2 2.82Å; R406-E474 IonicContact NE-OE1 3.38Å; R406-E474 PolarHBondContact NE-OE1 3.25Å; R406-E474 IonicContact NE-OE2 2.68Å; R406-E474 PolarHBondContact NE-OE2 2.9Å; R406-E474 IonicContact NH2-OE1 3.48Å; R406-E474 IonicContact NH2-OE2 3.49Å; R406-E474 PolarHBondContact NH2-OE2 3.41Å |
| 407 | H | 88.3 | Confident | 88 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 11% | 0.111 | 21% | 0.208 | C | C | . | . | trans | -122.6 | 85.9 | -177.8 | -61.9 | -87.2 | 0 | 0 | 0 | 111.4 | V374 L403 I404 R405 S409 C410 | V374-H407 HydrophobicContact CG1-CB 4.28Å; L403-H407 PolarHBondContact O-N 3.47Å; I404-H407 CarbonylContact O-C 3.28Å; I404-H407 VanDerWaalsContact O-C 3.28Å; I404-H407 PolarHBondContact O-N 3.24Å; R405-H407 PolarHBondContact O-N 3Å; H407-S409 PolarHBondContact O-N 2.85Å; H407-C410 WeakPolarHBondContact O-CB 3.44Å; H407-C410 PolarHBondContact O-N 3.2Å | ||
| 408 | P | 87.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -56.5 | -26.3 | -177.6 | -27.5 | 34.8 | 0 | 0 | 0 | 114.7 | R406 C410 R411 | R406-P408 WeakPolarHBondContact O-CD 3.27Å; P408-C410 PolarHBondContact O-N 3.02Å; P408-R411 WeakPolarHBondContact O-CB 3.36Å; P408-R411 WeakPolarHBondContact O-CG 3.37Å; P408-R411 PolarHBondContact O-N 3.45Å |
| 409 | S | 86.8 | Confident | 85.2 | Confident | 73 Ų | 73 | 46.7 Ų | 46.7 | 51% | 0.51 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -60.9 | -22.7 | 174.4 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | H407 R411 | H407-S409 PolarHBondContact O-N 2.85Å; S409-R411 PolarHBondContact O-N 2.94Å |
| 410 | C | 88.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -75.9 | -7.4 | 174.1 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | I404 H407 P408 V412 L413 | I404-C410 HydrophobicContact CG1-CB 4.35Å; H407-C410 WeakPolarHBondContact O-CB 3.44Å; H407-C410 PolarHBondContact O-N 3.2Å; P408-C410 PolarHBondContact O-N 3.02Å; C410-V412 PolarHBondContact O-N 3.08Å; C410-V412 VanDerWaalsContact O-N 3.15Å; C410-L413 HydrophobicContact CB-CD1 4.34Å; C410-L413 VanDerWaalsContact O-CB 3.25Å; C410-L413 WeakPolarHBondContact O-CB 3.32Å; C410-L413 VanDerWaalsContact O-CG 3.31Å; C410-L413 WeakPolarHBondContact O-CG 3.39Å; C410-L413 PolarHBondContact O-N 2.73Å |
| 411 | R | 87.6 | Confident | 82 | Confident | 124 Ų | 124 | 63.2 Ų | 63.2 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -61.6 | -21.1 | 175.8 | -69.4 | 174.9 | -177 | -171.3 | 1.4 | 112.9 | I404 P408 S409 L413 I414 H415 | I404-R411 HydrophobicContact CG2-CG 3.94Å; P408-R411 WeakPolarHBondContact O-CB 3.36Å; P408-R411 WeakPolarHBondContact O-CG 3.37Å; P408-R411 PolarHBondContact O-N 3.45Å; S409-R411 PolarHBondContact O-N 2.94Å; R411-L413 PolarHBondContact O-N 3.13Å; R411-L413 VanDerWaalsContact O-N 3.15Å; R411-I414 PolarHBondContact O-N 2.76Å; R411-H415 PolarHBondContact O-N 3.26Å |
| 412 | V | 88.8 | Confident | 80.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -55.1 | -26.7 | 170.4 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | C410 I414 K416 | C410-V412 PolarHBondContact O-N 3.08Å; C410-V412 VanDerWaalsContact O-N 3.15Å; V412-I414 VanDerWaalsContact C-N 3.3Å; V412-I414 PolarHBondContact O-N 3.45Å; V412-K416 HydrophobicContact CG1-CD 4.42Å; V412-K416 HydrophobicContact CG1-CG 4.11Å; V412-K416 VanDerWaalsContact O-CE 3.27Å; V412-K416 WeakPolarHBondContact O-CE 3.36Å; V412-K416 WeakPolarHBondContact O-CG 3.39Å |
| 413 | L | 86.9 | Confident | 79.1 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -71.9 | -22.9 | 175.9 | -60.2 | 177.3 | 0 | 0 | 0 | 113.8 | A375 C410 R411 A440 S443 S444 L445 | A375-L413 HydrophobicContact CB-CD1 4.08Å; C410-L413 HydrophobicContact CB-CD1 4.34Å; C410-L413 VanDerWaalsContact O-CB 3.25Å; C410-L413 WeakPolarHBondContact O-CB 3.32Å; C410-L413 VanDerWaalsContact O-CG 3.31Å; C410-L413 WeakPolarHBondContact O-CG 3.39Å; C410-L413 PolarHBondContact O-N 2.73Å; R411-L413 PolarHBondContact O-N 3.13Å; R411-L413 VanDerWaalsContact O-N 3.15Å; L413-A440 WeakPolarHBondContact CD2-O 3.15Å; L413-S443 WeakPolarHBondContact CD2-O 3.43Å; L413-S444 WeakPolarHBondContact O-CA 3.25Å; L413-L445 HydrophobicContact CB-CD1 3.66Å; L413-L445 HydrophobicContact CB-CG 3.83Å; L413-L445 HydrophobicContact CD1-CD1 4.1Å; L413-L445 HydrophobicContact CD1-CG 4.35Å; L413-L445 PolarHBondContact O-N 3.24Å |
| 414 | I | 87.4 | Confident | 78.2 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 35% | 0.354 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -45.8 | -179.7 | -54.9 | -180 | 0 | 0 | 0 | 110.1 | I404 R411 V412 L445 I466 M470 | I404-I414 HydrophobicContact CD1-CD1 3.92Å; I404-I414 HydrophobicContact CD1-CG1 4.24Å; I404-I414 HydrophobicContact CG2-CD1 4.03Å; R411-I414 PolarHBondContact O-N 2.76Å; V412-I414 VanDerWaalsContact C-N 3.3Å; V412-I414 PolarHBondContact O-N 3.45Å; I414-L445 HydrophobicContact CG1-CD1 4.41Å; I414-I466 HydrophobicContact CD1-CD1 3.88Å; I414-I466 HydrophobicContact CD1-CG1 3.73Å; I414-I466 HydrophobicContact CG1-CD1 3.98Å; I414-I466 HydrophobicContact CG1-CG1 4.27Å; I414-I466 HydrophobicContact CG2-CD1 4.35Å; I414-I466 HydrophobicContact CG2-CG1 4.16Å; I414-M470 HydrophobicContact CD1-CE 3.57Å |
| 415 | H | 85.8 | Confident | 77.6 | Confident | 135 Ų | 135 | 94.6 Ų | 94.6 | 63% | 0.625 | 49% | 0.493 | S | S | * | . | trans | -134.8 | 114.3 | -175.1 | -175.4 | 67.4 | 0 | 0 | 0 | 110.6 | R411 | R411-H415 PolarHBondContact O-N 3.26Š| ||
| 416 | K | 81.4 | Confident | 77.4 | Confident | 60 Ų | 60 | 95 Ų | 95 | 26% | 0.261 | 50% | 0.498 | S | S | . | . | trans | -109.4 | 108.1 | 171.8 | -65.2 | -168.2 | 179.9 | -167.4 | 0 | 108.9 | V412 S418 S419 L441 E442 S443 | V412-K416 HydrophobicContact CG1-CD 4.42Å; V412-K416 HydrophobicContact CG1-CG 4.11Å; V412-K416 VanDerWaalsContact O-CE 3.27Å; V412-K416 WeakPolarHBondContact O-CE 3.36Å; V412-K416 WeakPolarHBondContact O-CG 3.39Å; K416-S418 VanDerWaalsContact C-N 3.26Å; K416-S418 PolarHBondContact O-N 2.91Å; K416-S419 WeakPolarHBondContact CB-OG 3.49Å; K416-S419 PolarHBondContact O-OG 3.49Å; K416-L441 PolarHBondContact NZ-O 3.14Å; K416-L441 VanDerWaalsContact NZ-O 3.15Å; K416-E442 PolarHBondContact NZ-O 3.13Å; K416-S443 WeakPolarHBondContact CE-O 3.39Å; K416-S443 PolarHBondContact NZ-O 3.33Å | ||
| 417 | P | 73.2 | Confident | 77.4 | Confident | 97 Ų | 97 | 95 Ų | 95 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.2 | -179.6 | 28.8 | -33.6 | 0 | 0 | 0 | 113.7 | ||
| 418 | S | 65.7 | Low | 77.6 | Confident | 110 Ų | 110 | 94.3 Ų | 94.3 | 77% | 0.769 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 3.9 | -169.6 | -58.1 | 0 | 0 | 0 | 0 | 115.4 | K416 | K416-S418 VanDerWaalsContact C-N 3.26Å; K416-S418 PolarHBondContact O-N 2.91Å |
| 419 | S | 60.8 | Low | 77.8 | Confident | 49 Ų | 49 | 94.1 Ų | 94.1 | 34% | 0.343 | 50% | 0.498 | S | S | . | . | trans | -105.2 | 30.9 | -168.3 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | K416 D421 | K416-S419 WeakPolarHBondContact CB-OG 3.49Å; K416-S419 PolarHBondContact O-OG 3.49Å; S419-D421 VanDerWaalsContact C-N 3.26Å; S419-D421 PolarHBondContact O-N 2.94Å | ||
| 420 | E | 60.6 | Low | 77.8 | Confident | 185 Ų | 185 | 92.7 Ų | 92.7 | 86% | 0.864 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -69.2 | -22.5 | 178.4 | -65.9 | -172.6 | 169.5 | 0 | 0 | 112.9 | ||
| 421 | D | 57 | Low | 77.8 | Confident | 165 Ų | 165 | 100.8 Ų | 100.8 | 88% | 0.882 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -120.5 | 5.2 | -173 | -70.3 | -38.7 | 0 | 0 | 0 | 115 | S419 | S419-D421 VanDerWaalsContact C-N 3.26Å; S419-D421 PolarHBondContact O-N 2.94Å |
| 422 | E | 61.1 | Low | 78 | Confident | 143 Ų | 143 | 97.9 Ų | 97.9 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -90 | 146.8 | -178 | -73.4 | -178.8 | 165.9 | 0 | 0 | 112.9 | L424 | E422-L424 PolarHBondContact O-N 3.39Š|
| 423 | L | 59.4 | Low | 78 | Confident | 167 Ų | 167 | 97.9 Ų | 97.9 | 87% | 0.874 | 51% | 0.514 | S | S | * | . | trans | -58.8 | 126.2 | 173.1 | -70.5 | 166 | 0 | 0 | 0 | 109.8 | E425 | L423-E425 PolarHBondContact O-N 2.85Š| ||
| 424 | L | 69.9 | Low | 78.1 | Confident | 182 Ų | 182 | 99.9 Ų | 99.9 | 95% | 0.953 | 52% | 0.524 | S | S | * | . | trans | -70.7 | 22 | -174.1 | -71.2 | 162.3 | 0 | 0 | 0 | 115 | E422 | E422-L424 PolarHBondContact O-N 3.39Š| ||
| 425 | E | 77.8 | Confident | 78.2 | Confident | 168 Ų | 168 | 96.9 Ų | 96.9 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | trans | -82.8 | 124.8 | -179.5 | -163.3 | 165 | -163.8 | 0 | 0 | 110.1 | L423 P427 | L423-E425 PolarHBondContact O-N 2.85Å; E425-P427 VanDerWaalsContact O-CD 3.23Å; E425-P427 WeakPolarHBondContact O-CD 3.37Å | ||
| 426 | D | 84.6 | Confident | 78.4 | Confident | 47 Ų | 47 | 92.8 Ų | 92.8 | 25% | 0.251 | 50% | 0.499 | S | S | . | . | trans | -72.8 | 110.8 | -179.2 | -176.2 | 7 | 0 | 0 | 0 | 109.4 | K379 R383 Y428 S443 W446 | K379-D426 IonicContact NZ-OD1 3.6Å; K379-D426 IonicContact NZ-OD2 2.76Å; K379-D426 PolarHBondContact NZ-OD2 3.13Å; R383-D426 IonicContact CZ-OD2 3.79Å; R383-D426 IonicContact NH1-OD2 3.02Å; R383-D426 PolarHBondContact NH1-OD2 3.41Å; R383-D426 IonicContact NH2-OD2 2.87Å; R383-D426 PolarHBondContact NH2-OD2 3.44Å; D426-Y428 PolarHBondContact O-N 3.4Å; D426-Y428 WeakPolarHBondContact OD1-CB 3.42Å; D426-Y428 PolarHBondContact OD1-N 2.92Å; D426-S443 WeakPolarHBondContact OD1-CB 3.42Å; D426-S443 PolarHBondContact OD1-OG 3.46Å; D426-W446 PolarHBondContact OD2-NE1 3.15Å | ||
| 427 | P | 87.1 | Confident | 78.8 | Confident | 51 Ų | 51 | 94.7 Ų | 94.7 | 33% | 0.331 | 51% | 0.512 | S | S | . | . | trans | -73.8 | -6.1 | -176 | 31.3 | -35.5 | 0 | 0 | 0 | 113.1 | E425 V429 H439 E442 | E425-P427 VanDerWaalsContact O-CD 3.23Å; E425-P427 WeakPolarHBondContact O-CD 3.37Å; P427-V429 PolarHBondContact O-N 2.89Å; P427-H439 HydrophobicContact CB-CB 4.42Å; P427-E442 HydrophobicContact CB-CB 4.46Å; P427-E442 HydrophobicContact CG-CB 3.64Å | ||
| 428 | Y | 90.9 | Very high | 79.6 | Confident | 11 Ų | 11 | 90.1 Ų | 90.1 | 4% | 0.043 | 48% | 0.482 | C | S | . | . | trans | -70.4 | 121.9 | -174.4 | 175.8 | -102.5 | 0 | 0 | 0 | 113.3 | Y340 K379 R380 D426 M430 C438 A440 | Y340-Y428 PolarHBondContact OH-OH 3.32Å; K379-Y428 HydrophobicContact CB-CD2 4.34Å; K379-Y428 HydrophobicContact CB-CE2 4.09Å; K379-Y428 HydrophobicContact CD-CD1 4.44Å; K379-Y428 HydrophobicContact CD-CG 4.39Å; K379-Y428 HydrophobicContact CG-CD1 3.8Å; K379-Y428 HydrophobicContact CG-CD2 3.54Å; K379-Y428 HydrophobicContact CG-CE1 3.9Å; K379-Y428 HydrophobicContact CG-CE2 3.62Å; K379-Y428 HydrophobicContact CG-CG 3.62Å; R380-Y428 WeakPolarHBondContact CA-OH 3.36Å; R380-Y428 WeakPolarHBondContact CB-OH 3.33Å; D426-Y428 PolarHBondContact O-N 3.4Å; D426-Y428 WeakPolarHBondContact OD1-CB 3.42Å; D426-Y428 PolarHBondContact OD1-N 2.92Å; Y428-M430 HydrophobicContact CE1-CB 3.98Å; Y428-M430 HydrophobicContact CE1-SD 3.8Å; Y428-M430 PolarHBondContact OH-SD 3.26Å; Y428-C438 WeakPolarHBondContact CA-O 3.39Å; Y428-C438 HydrophobicContact CD2-CB 4.18Å; Y428-C438 WeakPolarHBondContact CD2-O 3.37Å; Y428-C438 HydrophobicContact CE2-CB 3.83Å; Y428-A440 HydrophobicContact CD2-CB 3.9Å; Y428-A440 HydrophobicContact CE2-CB 4.08Å | ||
| 429 | V | 91.8 | Very high | 80.6 | Confident | 67 Ų | 67 | 89 Ų | 89 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | trans | -97.1 | 110.9 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | P427 E432 C438 | P427-V429 PolarHBondContact O-N 2.89Å; V429-E432 HydrophobicContact CB-CB 4.23Å; V429-E432 HydrophobicContact CG1-CB 4.02Å; V429-C438 PolarHBondContact N-O 3.29Å | ||
| 430 | M | 87.6 | Confident | 82.1 | Confident | 43 Ų | 43 | 86.9 Ų | 86.9 | 21% | 0.212 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -33.5 | -177.2 | -177.2 | 64.8 | -164.8 | 0 | 0 | 113.7 | R380 R383 L384 Y428 E432 | R380-M430 HydrophobicContact CG-CE 3.71Å; R380-M430 HydrophobicContact CG-SD 4.05Å; R383-M430 HydrophobicContact CB-SD 4.03Å; R383-M430 HydrophobicContact CG-CG 4.48Å; R383-M430 HydrophobicContact CG-SD 3.98Å; L384-M430 HydrophobicContact CD2-CE 3.75Å; L384-M430 HydrophobicContact CG-CE 3.98Å; Y428-M430 HydrophobicContact CE1-CB 3.98Å; Y428-M430 HydrophobicContact CE1-SD 3.8Å; Y428-M430 PolarHBondContact OH-SD 3.26Å; M430-E432 PolarHBondContact O-N 3.07Å |
| 431 | E | 88.5 | Confident | 83.4 | Confident | 171 Ų | 171 | 81 Ų | 81 | 80% | 0.799 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -6 | -177 | -59.2 | -56.3 | 147.1 | 0 | 0 | 113.2 | ||
| 432 | E | 91.7 | Very high | 84.7 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | trans | -68 | 136.1 | -178.6 | -173.1 | 50 | -118.6 | 0 | 0 | 110.5 | Y340 V429 M430 D434 L437 C438 | Y340-E432 WeakPolarHBondContact CE1-O 3.42Å; V429-E432 HydrophobicContact CB-CB 4.23Å; V429-E432 HydrophobicContact CG1-CB 4.02Å; M430-E432 PolarHBondContact O-N 3.07Å; E432-D434 WeakPolarHBondContact CG-O 3.18Å; E432-D434 PolarHBondContact OE1-N 3.2Å; E432-L437 HydrophobicContact CG-CB 3.85Å; E432-C438 HydrophobicContact CB-CB 4.34Å | ||
| 433 | V | 88.1 | Confident | 86.1 | Confident | 71 Ų | 71 | 72.1 Ų | 72.1 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -85.9 | -31.4 | -176 | -179.6 | 0 | 0 | 0 | 0 | 110 | K337 N341 | K337-V433 HydrophobicContact CG-CG1 4.46Å; K337-V433 WeakPolarHBondContact CG-O 3.41Å; N341-V433 WeakPolarHBondContact ND2-CG1 3.48Å; N341-V433 WeakPolarHBondContact OD1-CA 3.49Å; N341-V433 PolarHBondContact OD1-O 2.98Å |
| 434 | D | 89.8 | Confident | 87.5 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | trans | -92.5 | 117.3 | 179.6 | -152.8 | -47 | 0 | 0 | 0 | 111.9 | K337 E432 A436 L437 C438 | K337-D434 IonicContact NZ-OD2 3.62Å; K337-D434 PolarHBondContact NZ-OD2 3.23Å; E432-D434 WeakPolarHBondContact CG-O 3.18Å; E432-D434 PolarHBondContact OE1-N 3.2Å; D434-A436 PolarHBondContact O-N 3.11Å; D434-A436 VanDerWaalsContact O-N 3.1Å; D434-A436 WeakPolarHBondContact OD1-CB 3.16Å; D434-A436 PolarHBondContact OD1-N 3.07Å; D434-L437 HydrophobicContact CB-CB 4.35Å; D434-L437 HydrophobicContact CB-CD1 4.1Å; D434-L437 HydrophobicContact CB-CG 4.17Å; D434-L437 PolarHBondContact O-N 3.48Å; D434-C438 PolarHBondContact O-N 3Å | ||
| 435 | P | 90.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.5 | 178.3 | 26.8 | -35.2 | 0 | 0 | 0 | 113.2 | Y340 L373 A376 L437 C438 | Y340-P435 HydrophobicContact CD1-CB 4.25Å; Y340-P435 HydrophobicContact CD2-CB 4.21Å; Y340-P435 HydrophobicContact CE1-CB 4.45Å; Y340-P435 HydrophobicContact CE2-CB 4.43Å; Y340-P435 HydrophobicContact CG-CB 4.11Å; L373-P435 HydrophobicContact CD1-CB 3.76Å; L373-P435 HydrophobicContact CD1-CG 3.42Å; L373-P435 VanDerWaalsContact CD1-CG 3.42Å; A376-P435 HydrophobicContact CB-CB 3.66Å; P435-L437 VanDerWaalsContact C-N 3.32Å; P435-C438 PolarHBondContact O-SG 3.37Å |
| 436 | A | 89.4 | Confident | 89.2 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -25.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y372 D434 | Y372-A436 HydrophobicContact CD2-CB 4.07Å; Y372-A436 HydrophobicContact CE2-CB 3.7Å; D434-A436 PolarHBondContact O-N 3.11Å; D434-A436 VanDerWaalsContact O-N 3.1Å; D434-A436 WeakPolarHBondContact OD1-CB 3.16Å; D434-A436 PolarHBondContact OD1-N 3.07Å |
| 437 | L | 90.6 | Very high | 89.7 | Confident | 100 Ų | 100 | 53.4 Ų | 53.4 | 52% | 0.524 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -1.7 | -173.1 | -60.6 | 177.3 | 0 | 0 | 0 | 113.4 | E432 D434 P435 H439 | E432-L437 HydrophobicContact CG-CB 3.85Å; D434-L437 HydrophobicContact CB-CB 4.35Å; D434-L437 HydrophobicContact CB-CD1 4.1Å; D434-L437 HydrophobicContact CB-CG 4.17Å; D434-L437 PolarHBondContact O-N 3.48Å; P435-L437 VanDerWaalsContact C-N 3.32Å; L437-H439 PolarHBondContact O-CD2 3.19Å; L437-H439 PolarHBondContact O-N 3.4Å |
| 438 | C | 87.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76.7 | -3.6 | -177.4 | 71 | 0 | 0 | 0 | 0 | 114.6 | A376 Y428 V429 E432 D434 P435 A440 | A376-C438 WeakPolarHBondContact CB-SG 3.38Å; Y428-C438 WeakPolarHBondContact CA-O 3.39Å; Y428-C438 HydrophobicContact CD2-CB 4.18Å; Y428-C438 WeakPolarHBondContact CD2-O 3.37Å; Y428-C438 HydrophobicContact CE2-CB 3.83Å; V429-C438 PolarHBondContact N-O 3.29Å; E432-C438 HydrophobicContact CB-CB 4.34Å; D434-C438 PolarHBondContact O-N 3Å; P435-C438 PolarHBondContact O-SG 3.37Å; C438-A440 PolarHBondContact O-N 3.09Å; C438-A440 VanDerWaalsContact O-N 3.14Å |
| 439 | H | 88.8 | Confident | 90 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 40% | 0.403 | 29% | 0.289 | S | S | . | . | trans | 52.8 | 30.9 | -178.7 | -65 | -81.1 | 0 | 0 | 0 | 115.1 | P427 L437 L441 E442 S443 | P427-H439 HydrophobicContact CB-CB 4.42Å; L437-H439 PolarHBondContact O-CD2 3.19Å; L437-H439 PolarHBondContact O-N 3.4Å; H439-L441 VanDerWaalsContact C-N 3.32Å; H439-L441 PolarHBondContact O-N 3.32Å; H439-E442 IonicContact CE1-OE1 4Å; H439-E442 IonicContact CG-OE2 2.69Å; H439-E442 IonicContact ND1-OE1 2.65Å; H439-E442 PolarHBondContact ND1-OE1 2.9Å; H439-E442 IonicContact ND1-OE2 3.8Å; H439-E442 PolarHBondContact ND1-OE2 3.22Å; H439-E442 PolarHBondContact O-N 3.23Å; H439-E442 VanDerWaalsContact O-N 3.14Å; H439-S443 PolarHBondContact O-N 3.06Å | ||
| 440 | A | 90.4 | Very high | 90 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.6 | -33.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A375 A376 K379 L413 Y428 C438 E442 S443 | A375-A440 HydrophobicContact CB-CB 4.25Å; A376-A440 HydrophobicContact CB-CB 4.28Å; K379-A440 HydrophobicContact CB-CB 4.04Å; K379-A440 HydrophobicContact CG-CB 4.44Å; L413-A440 WeakPolarHBondContact CD2-O 3.15Å; Y428-A440 HydrophobicContact CD2-CB 3.9Å; Y428-A440 HydrophobicContact CE2-CB 4.08Å; C438-A440 PolarHBondContact O-N 3.09Å; C438-A440 VanDerWaalsContact O-N 3.14Å; A440-E442 VanDerWaalsContact C-N 3.3Å; A440-E442 PolarHBondContact O-N 3.21Å; A440-S443 WeakPolarHBondContact O-CB 3.08Å; A440-S443 PolarHBondContact O-N 3.4Å |
| 441 | L | 87.9 | Confident | 90.3 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -67.2 | -30.6 | 178.5 | -72.7 | 173.2 | 0 | 0 | 0 | 113.2 | V371 A375 K416 H439 S443 | V371-L441 HydrophobicContact CG1-CD2 4.06Å; A375-L441 HydrophobicContact CB-CD2 3.4Å; A375-L441 VanDerWaalsContact CB-CD2 3.4Å; A375-L441 HydrophobicContact CB-CG 3.8Å; K416-L441 PolarHBondContact NZ-O 3.14Å; K416-L441 VanDerWaalsContact NZ-O 3.15Å; H439-L441 VanDerWaalsContact C-N 3.32Å; H439-L441 PolarHBondContact O-N 3.32Å; L441-S443 PolarHBondContact O-N 3.35Å |
| 442 | E | 86 | Confident | 90.5 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -77.9 | -13.6 | 178.2 | -63.9 | 166.6 | -146.7 | 0 | 0 | 111.3 | K416 P427 H439 A440 | K416-E442 PolarHBondContact NZ-O 3.13Å; P427-E442 HydrophobicContact CB-CB 4.46Å; P427-E442 HydrophobicContact CG-CB 3.64Å; H439-E442 IonicContact CE1-OE1 4Å; H439-E442 IonicContact CG-OE2 2.69Å; H439-E442 IonicContact ND1-OE1 2.65Å; H439-E442 PolarHBondContact ND1-OE1 2.9Å; H439-E442 IonicContact ND1-OE2 3.8Å; H439-E442 PolarHBondContact ND1-OE2 3.22Å; H439-E442 PolarHBondContact O-N 3.23Å; H439-E442 VanDerWaalsContact O-N 3.14Å; A440-E442 VanDerWaalsContact C-N 3.3Å; A440-E442 PolarHBondContact O-N 3.21Å |
| 443 | S | 89.5 | Confident | 90.5 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -89.1 | 176.4 | 175.8 | 154.2 | 0 | 0 | 0 | 0 | 113.5 | K379 L413 K416 D426 H439 A440 L441 | K379-S443 WeakPolarHBondContact CD-OG 3.45Å; K379-S443 WeakPolarHBondContact CE-OG 3.31Å; K379-S443 PolarHBondContact NZ-OG 3.13Å; K379-S443 VanDerWaalsContact NZ-OG 3.08Å; L413-S443 WeakPolarHBondContact CD2-O 3.43Å; K416-S443 WeakPolarHBondContact CE-O 3.39Å; K416-S443 PolarHBondContact NZ-O 3.33Å; D426-S443 WeakPolarHBondContact OD1-CB 3.42Å; D426-S443 PolarHBondContact OD1-OG 3.46Å; H439-S443 PolarHBondContact O-N 3.06Å; A440-S443 WeakPolarHBondContact O-CB 3.08Å; A440-S443 PolarHBondContact O-N 3.4Å; L441-S443 PolarHBondContact O-N 3.35Å |
| 444 | S | 89.9 | Confident | 90.8 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | trans | -123.9 | 161.9 | 172.4 | 63.5 | 0 | 0 | 0 | 0 | 112.1 | K379 L413 W446 | K379-S444 PolarHBondContact NZ-O 3.29Å; L413-S444 WeakPolarHBondContact O-CA 3.25Å; S444-W446 PolarHBondContact O-N 3.33Å | ||
| 445 | L | 91.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | trans | -92.5 | 57.1 | 178.9 | -70.2 | 165.1 | 0 | 0 | 0 | 112.7 | K379 A382 I404 L413 I414 E447 I448 | K379-L445 HydrophobicContact CD-CD2 4.14Å; A382-L445 HydrophobicContact CB-CD2 3.57Å; I404-L445 HydrophobicContact CD1-CD1 3.72Å; L413-L445 HydrophobicContact CB-CD1 3.66Å; L413-L445 HydrophobicContact CB-CG 3.83Å; L413-L445 HydrophobicContact CD1-CD1 4.1Å; L413-L445 HydrophobicContact CD1-CG 4.35Å; L413-L445 PolarHBondContact O-N 3.24Å; I414-L445 HydrophobicContact CG1-CD1 4.41Å; L445-E447 PolarHBondContact O-N 3.35Å; L445-I448 HydrophobicContact CB-CD1 4.14Å; L445-I448 HydrophobicContact CB-CG1 4.45Å; L445-I448 HydrophobicContact CD1-CD1 4.17Å; L445-I448 PolarHBondContact O-N 3.02Å | ||
| 446 | W | 91.3 | Very high | 90.8 | Very high | 107 Ų | 107 | 59.8 Ų | 59.8 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.3 | -19.9 | 179.9 | 61.7 | -99.4 | 0 | 0 | 0 | 113.5 | L386 D426 S444 I448 K449 T450 | L386-W446 HydrophobicContact CD1-CH2 4.2Å; L386-W446 HydrophobicContact CD1-CZ3 4.15Å; D426-W446 PolarHBondContact OD2-NE1 3.15Å; S444-W446 PolarHBondContact O-N 3.33Å; W446-I448 VanDerWaalsContact C-N 3.35Å; W446-I448 PolarHBondContact O-N 2.62Å; W446-K449 WeakPolarHBondContact O-CB 3.43Å; W446-K449 PolarHBondContact O-N 3.46Å; W446-T450 PolarHBondContact O-N 3.45Å; W446-T450 VanDerWaalsContact O-N 3.07Å; W446-T450 PolarHBondContact O-OG1 3.46Å; W446-T450 VanDerWaalsContact O-OG1 3.07Å |
| 447 | E | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 177.7 | -59.6 | 90 | 164.5 | 0 | 0 | 111.4 | K379 A382 R383 L386 L445 K449 T450 L451 | K379-E447 VanDerWaalsContact CE-OE1 3.27Å; K379-E447 WeakPolarHBondContact CE-OE1 3.2Å; K379-E447 VanDerWaalsContact NZ-CD 3.34Å; K379-E447 IonicContact NZ-OE1 2.62Å; K379-E447 PolarHBondContact NZ-OE1 3.33Å; K379-E447 IonicContact NZ-OE2 3.4Å; K379-E447 PolarHBondContact NZ-OE2 3.4Å; K379-E447 VanDerWaalsContact NZ-OE2 3.13Å; A382-E447 HydrophobicContact CB-CB 4.16Å; A382-E447 VanDerWaalsContact O-CB 3.31Å; A382-E447 WeakPolarHBondContact O-CB 3.36Å; R383-E447 WeakPolarHBondContact CD-OE1 3.39Å; R383-E447 IonicContact CZ-OE1 2.77Å; R383-E447 IonicContact NE-OE1 3.05Å; R383-E447 IonicContact NH1-OE1 3.18Å; R383-E447 PolarHBondContact NH1-OE1 3.21Å; L386-E447 HydrophobicContact CD1-CB 4.26Å; L386-E447 HydrophobicContact CD1-CG 3.72Å; L386-E447 HydrophobicContact CD2-CB 3.96Å; L386-E447 HydrophobicContact CD2-CG 4.35Å; L386-E447 HydrophobicContact CG-CB 4.02Å; L386-E447 HydrophobicContact CG-CG 4Å; L445-E447 PolarHBondContact O-N 3.35Å; E447-K449 VanDerWaalsContact C-N 3.27Å; E447-K449 PolarHBondContact O-N 3.19Å; E447-T450 WeakPolarHBondContact O-CB 3.44Å; E447-T450 PolarHBondContact O-N 3.46Å; E447-T450 VanDerWaalsContact O-N 3.11Å; E447-L451 WeakPolarHBondContact O-CG 3.5Å; E447-L451 PolarHBondContact O-N 3.43Å |
| 448 | I | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.5 | -56.4 | 177.7 | 0 | 0 | 0 | 109.9 | A382 L397 I400 Y401 L445 W446 T450 L451 Q452 A463 I466 | A382-I448 HydrophobicContact CB-CG1 4.44Å; L397-I448 HydrophobicContact CD2-CG1 4.43Å; L397-I448 HydrophobicContact CD2-CG2 4.19Å; I400-I448 HydrophobicContact CD1-CD1 4.49Å; I400-I448 HydrophobicContact CG2-CD1 3.98Å; Y401-I448 HydrophobicContact CE1-CD1 4.39Å; L445-I448 HydrophobicContact CB-CD1 4.14Å; L445-I448 HydrophobicContact CB-CG1 4.45Å; L445-I448 HydrophobicContact CD1-CD1 4.17Å; L445-I448 PolarHBondContact O-N 3.02Å; W446-I448 VanDerWaalsContact C-N 3.35Å; W446-I448 PolarHBondContact O-N 2.62Å; I448-T450 VanDerWaalsContact C-N 3.25Å; I448-T450 PolarHBondContact O-N 3.05Å; I448-L451 PolarHBondContact O-N 3.31Å; I448-Q452 PolarHBondContact O-N 3.46Å; I448-A463 HydrophobicContact CG2-CB 4.43Å; I448-I466 HydrophobicContact CB-CD1 4.24Å; I448-I466 HydrophobicContact CD1-CD1 3.73Å; I448-I466 HydrophobicContact CG2-CB 4.36Å; I448-I466 HydrophobicContact CG2-CD1 3.87Å; I448-I466 HydrophobicContact CG2-CG2 4.04Å |
| 449 | K | 91.6 | Very high | 90.9 | Very high | 126 Ų | 126 | 58.4 Ų | 58.4 | 55% | 0.548 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 175.4 | -172.2 | 62.1 | 178.7 | 175.7 | 0 | 111.9 | W446 E447 Q452 | W446-K449 WeakPolarHBondContact O-CB 3.43Å; W446-K449 PolarHBondContact O-N 3.46Å; E447-K449 VanDerWaalsContact C-N 3.27Å; E447-K449 PolarHBondContact O-N 3.19Å; K449-Q452 WeakPolarHBondContact O-CB 3.44Å; K449-Q452 PolarHBondContact O-N 2.91Å |
| 450 | T | 92.5 | Very high | 91.1 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.4 | -42.6 | 175.7 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | W446 E447 I448 Q452 K453 | W446-T450 PolarHBondContact O-N 3.45Å; W446-T450 VanDerWaalsContact O-N 3.07Å; W446-T450 PolarHBondContact O-OG1 3.46Å; W446-T450 VanDerWaalsContact O-OG1 3.07Å; E447-T450 WeakPolarHBondContact O-CB 3.44Å; E447-T450 PolarHBondContact O-N 3.46Å; E447-T450 VanDerWaalsContact O-N 3.11Å; I448-T450 VanDerWaalsContact C-N 3.25Å; I448-T450 PolarHBondContact O-N 3.05Å; T450-Q452 PolarHBondContact O-N 3.26Å; T450-Q452 VanDerWaalsContact O-N 3.14Å; T450-K453 PolarHBondContact O-N 3.25Å; T450-K453 VanDerWaalsContact O-N 3.09Å |
| 451 | L | 92.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -15.9 | 177 | -67.8 | 173.2 | 0 | 0 | 0 | 114 | A385 L386 L393 L397 E447 I448 K453 H454 A463 | A385-L451 HydrophobicContact CB-CD1 3.91Å; L386-L451 HydrophobicContact CD2-CG 4.5Å; L393-L451 HydrophobicContact CD1-CD2 4.09Å; L393-L451 HydrophobicContact CD2-CD1 3.9Å; L393-L451 HydrophobicContact CD2-CD2 4.16Å; L397-L451 HydrophobicContact CD2-CD1 4.16Å; E447-L451 WeakPolarHBondContact O-CG 3.5Å; E447-L451 PolarHBondContact O-N 3.43Å; I448-L451 PolarHBondContact O-N 3.31Å; L451-K453 PolarHBondContact O-N 2.89Å; L451-H454 WeakPolarHBondContact O-CB 3.4Å; L451-H454 PolarHBondContact O-N 2.7Å; L451-H454 VanDerWaalsContact O-N 3.13Å; L451-A463 HydrophobicContact CB-CB 4Å |
| 452 | Q | 93.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.3 | 171.7 | -66.4 | 178.7 | 7.9 | 0 | 0 | 113 | I448 K449 T450 A463 M464 I466 N467 | I448-Q452 PolarHBondContact O-N 3.46Å; K449-Q452 WeakPolarHBondContact O-CB 3.44Å; K449-Q452 PolarHBondContact O-N 2.91Å; T450-Q452 PolarHBondContact O-N 3.26Å; T450-Q452 VanDerWaalsContact O-N 3.14Å; Q452-A463 HydrophobicContact CG-CB 3.95Å; Q452-A463 PolarHBondContact NE2-O 3.38Å; Q452-M464 HydrophobicContact CB-CG 4.25Å; Q452-M464 HydrophobicContact CG-CG 4.09Å; Q452-M464 WeakPolarHBondContact O-CE 3.45Å; Q452-I466 VanDerWaalsContact NE2-CG2 3.34Å; Q452-N467 PolarHBondContact NE2-ND2 2.92Å; Q452-N467 VanDerWaalsContact NE2-ND2 3.2Å; Q452-N467 PolarHBondContact NE2-OD1 3.2Å; Q452-N467 VanDerWaalsContact NE2-OD1 3.09Å; Q452-N467 PolarHBondContact OE1-ND2 3.42Å |
| 453 | K | 92.1 | Very high | 91.6 | Very high | 196 Ų | 196 | 53 Ų | 53 | 85% | 0.852 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 27.7 | 175.4 | -62.9 | -176.4 | 179.6 | 179.9 | 0 | 112.5 | T450 L451 | T450-K453 PolarHBondContact O-N 3.25Å; T450-K453 VanDerWaalsContact O-N 3.09Å; L451-K453 PolarHBondContact O-N 2.89Å |
| 454 | H | 93.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | trans | -69.9 | 147.2 | 179.7 | -173.5 | -92.4 | 0 | 0 | 0 | 111.9 | L451 H456 V459 | L451-H454 WeakPolarHBondContact O-CB 3.4Å; L451-H454 PolarHBondContact O-N 2.7Å; L451-H454 VanDerWaalsContact O-N 3.13Å; H454-H456 VanDerWaalsContact C-N 3.29Å; H454-H456 WeakPolarHBondContact ND1-CB 3.24Å; H454-H456 PolarHBondContact ND1-N 3.2Å; H454-H456 PolarHBondContact O-N 3.46Å; H454-V459 HydrophobicContact CB-CB 4.37Å; H454-V459 HydrophobicContact CB-CG1 3.95Å | ||
| 455 | Y | 90.6 | Very high | 91.6 | Very high | 179 Ų | 179 | 58.8 Ų | 58.8 | 70% | 0.702 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -63 | -33.6 | -177 | 69.5 | -94.4 | 0 | 0 | 0 | 113.2 | P390 | P390-Y455 WeakPolarHBondContact CD-OH 3.29Å; P390-Y455 HydrophobicContact CG-CE1 4.45Å; P390-Y455 HydrophobicContact CG-CE2 4.34Å; P390-Y455 WeakPolarHBondContact CG-OH 3.18Å |
| 456 | H | 89.9 | Confident | 91.4 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.069 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -82.1 | 122.5 | 177.2 | -169.6 | -69.9 | 0 | 0 | 0 | 110.4 | H454 D458 V459 A460 D492 | H454-H456 VanDerWaalsContact C-N 3.29Å; H454-H456 WeakPolarHBondContact ND1-CB 3.24Å; H454-H456 PolarHBondContact ND1-N 3.2Å; H454-H456 PolarHBondContact O-N 3.46Å; H456-D458 IonicContact CE1-OD2 2.74Å; H456-D458 PolarHBondContact ND1-N 2.9Å; H456-D458 VanDerWaalsContact ND1-N 3.19Å; H456-D458 PolarHBondContact O-N 3.45Å; H456-V459 HydrophobicContact CB-CB 4.29Å; H456-V459 HydrophobicContact CB-CG2 4.04Å; H456-V459 PolarHBondContact O-N 3.15Å; H456-A460 PolarHBondContact O-N 3Å; H456-A460 VanDerWaalsContact O-N 3.13Å; H456-D492 IonicContact NE2-OD2 3.63Å; H456-D492 PolarHBondContact NE2-OD2 3.35Å |
| 457 | P | 89.7 | Confident | 91.2 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | -171.8 | 23.7 | -33.8 | 0 | 0 | 0 | 113 | V459 A460 K461 | P457-V459 VanDerWaalsContact C-N 3.34Å; P457-V459 PolarHBondContact O-N 3.45Å; P457-A460 PolarHBondContact O-N 3.3Å; P457-K461 WeakPolarHBondContact O-CG 2.96Å; P457-K461 PolarHBondContact O-N 3.04Å |
| 458 | D | 90.3 | Very high | 90.7 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -31.1 | -178.6 | -61 | -24 | 0 | 0 | 0 | 113.4 | L394 H456 K461 A462 R491 | L394-D458 HydrophobicContact CD2-CB 4.25Å; H456-D458 IonicContact CE1-OD2 2.74Å; H456-D458 PolarHBondContact ND1-N 2.9Å; H456-D458 VanDerWaalsContact ND1-N 3.19Å; H456-D458 PolarHBondContact O-N 3.45Å; D458-K461 IonicContact OD1-NZ 2.97Å; D458-A462 VanDerWaalsContact O-CB 3.3Å; D458-A462 WeakPolarHBondContact O-CB 3.2Å; D458-A462 PolarHBondContact O-N 3.43Å; D458-R491 IonicContact OD2-CZ 2.75Å; D458-R491 IonicContact OD2-NH2 3.55Å; D458-R491 PolarHBondContact OD2-NH2 3.17Å |
| 459 | V | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 173.1 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | P390 L393 L394 L397 H454 H456 P457 K461 A462 A463 | P390-V459 HydrophobicContact CB-CG2 4.09Å; L393-V459 HydrophobicContact CB-CG1 3.9Å; L393-V459 HydrophobicContact CB-CG2 4.18Å; L393-V459 HydrophobicContact CD1-CG1 3.77Å; L393-V459 HydrophobicContact CG-CG1 4.41Å; L394-V459 HydrophobicContact CD2-CG2 3.89Å; L394-V459 HydrophobicContact CG-CG2 4.02Å; L397-V459 HydrophobicContact CD1-CG1 4.24Å; H454-V459 HydrophobicContact CB-CB 4.37Å; H454-V459 HydrophobicContact CB-CG1 3.95Å; H456-V459 HydrophobicContact CB-CB 4.29Å; H456-V459 HydrophobicContact CB-CG2 4.04Å; H456-V459 PolarHBondContact O-N 3.15Å; P457-V459 VanDerWaalsContact C-N 3.34Å; P457-V459 PolarHBondContact O-N 3.45Å; V459-K461 PolarHBondContact O-N 3Å; V459-A462 PolarHBondContact O-N 2.93Å; V459-A463 WeakPolarHBondContact O-CB 3.36Å; V459-A463 PolarHBondContact O-N 2.76Å |
| 460 | A | 92.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H456 P457 A463 M464 | H456-A460 PolarHBondContact O-N 3Å; H456-A460 VanDerWaalsContact O-N 3.13Å; P457-A460 PolarHBondContact O-N 3.3Å; A460-A463 PolarHBondContact O-N 2.94Å; A460-M464 VanDerWaalsContact O-CG 3.26Å; A460-M464 WeakPolarHBondContact O-CG 3.33Å; A460-M464 PolarHBondContact O-N 3Å |
| 461 | K | 91.3 | Very high | 88.5 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.6 | -47.7 | 174.1 | -71.8 | 172.3 | -171.2 | 166 | 0 | 111.8 | P457 D458 V459 A463 M464 L465 | P457-K461 WeakPolarHBondContact O-CG 2.96Å; P457-K461 PolarHBondContact O-N 3.04Å; D458-K461 IonicContact OD1-NZ 2.97Å; V459-K461 PolarHBondContact O-N 3Å; K461-A463 VanDerWaalsContact C-N 3.31Å; K461-A463 PolarHBondContact O-N 3.21Å; K461-M464 PolarHBondContact O-N 3.43Å; K461-M464 VanDerWaalsContact O-N 3.1Å; K461-L465 PolarHBondContact O-N 3.22Å |
| 462 | A | 90.3 | Very high | 87.4 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L394 L397 Y401 D458 V459 M464 L465 | L394-A462 HydrophobicContact CD2-CB 4.5Å; L397-A462 HydrophobicContact CD1-CB 3.91Å; Y401-A462 VanDerWaalsContact CE2-O 3.24Å; Y401-A462 WeakPolarHBondContact CE2-O 3.29Å; Y401-A462 PolarHBondContact OH-O 3.05Å; D458-A462 VanDerWaalsContact O-CB 3.3Å; D458-A462 WeakPolarHBondContact O-CB 3.2Å; D458-A462 PolarHBondContact O-N 3.43Å; V459-A462 PolarHBondContact O-N 2.93Å; A462-M464 VanDerWaalsContact C-N 3.32Å; A462-M464 PolarHBondContact O-N 3.25Å; A462-L465 WeakPolarHBondContact O-CB 3.44Å; A462-L465 PolarHBondContact O-N 3.3Å |
| 463 | A | 92.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.6 | -29.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L397 Y401 I448 L451 Q452 V459 A460 K461 L465 I466 | L397-A463 HydrophobicContact CD1-CB 4.1Å; Y401-A463 VanDerWaalsContact OH-CA 3.29Å; Y401-A463 WeakPolarHBondContact OH-CA 3.3Å; Y401-A463 PolarHBondContact OH-O 2.97Å; I448-A463 HydrophobicContact CG2-CB 4.43Å; L451-A463 HydrophobicContact CB-CB 4Å; Q452-A463 HydrophobicContact CG-CB 3.95Å; Q452-A463 PolarHBondContact NE2-O 3.38Å; V459-A463 WeakPolarHBondContact O-CB 3.36Å; V459-A463 PolarHBondContact O-N 2.76Å; A460-A463 PolarHBondContact O-N 2.94Å; K461-A463 VanDerWaalsContact C-N 3.31Å; K461-A463 PolarHBondContact O-N 3.21Å; A463-L465 VanDerWaalsContact C-N 3.33Å; A463-I466 WeakPolarHBondContact O-CG2 3.26Å |
| 464 | M | 90.9 | Very high | 86.1 | Confident | 93 Ų | 93 | 75 Ų | 75 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.3 | -20.5 | 176.9 | -74.6 | 179.7 | -169.8 | 0 | 0 | 113.4 | Q452 A460 K461 A462 I466 N467 | Q452-M464 HydrophobicContact CB-CG 4.25Å; Q452-M464 HydrophobicContact CG-CG 4.09Å; Q452-M464 WeakPolarHBondContact O-CE 3.45Å; A460-M464 VanDerWaalsContact O-CG 3.26Å; A460-M464 WeakPolarHBondContact O-CG 3.33Å; A460-M464 PolarHBondContact O-N 3Å; K461-M464 PolarHBondContact O-N 3.43Å; K461-M464 VanDerWaalsContact O-N 3.1Å; A462-M464 VanDerWaalsContact C-N 3.32Å; A462-M464 PolarHBondContact O-N 3.25Å; M464-I466 PolarHBondContact O-N 3.22Å; M464-I466 VanDerWaalsContact O-N 3.13Å; M464-N467 WeakPolarHBondContact O-CB 3.4Å; M464-N467 PolarHBondContact O-N 3.31Å |
| 465 | L | 88.3 | Confident | 85.5 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -57.9 | -25.8 | 176.5 | -67 | 174.5 | 0 | 0 | 0 | 112.7 | Y401 K461 A462 A463 N467 T468 | Y401-L465 HydrophobicContact CE2-CB 4.01Å; K461-L465 PolarHBondContact O-N 3.22Å; A462-L465 WeakPolarHBondContact O-CB 3.44Å; A462-L465 PolarHBondContact O-N 3.3Å; A463-L465 VanDerWaalsContact C-N 3.33Å; L465-N467 PolarHBondContact O-N 2.82Å; L465-T468 PolarHBondContact O-N 3.32Å; L465-T468 VanDerWaalsContact O-N 3.09Å; L465-T468 PolarHBondContact O-OG1 2.83Å |
| 466 | I | 87.6 | Confident | 85.1 | Confident | 18 Ų | 18 | 72.7 Ų | 72.7 | 9% | 0.092 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -62.1 | -24.6 | 175.2 | -156.9 | 171.1 | 0 | 0 | 0 | 113.3 | Y401 I414 I448 Q452 A463 M464 T468 M470 | Y401-I466 HydrophobicContact CE1-CB 3.86Å; Y401-I466 HydrophobicContact CE1-CD1 4.08Å; Y401-I466 HydrophobicContact CE1-CG1 4.04Å; I414-I466 HydrophobicContact CD1-CD1 3.88Å; I414-I466 HydrophobicContact CD1-CG1 3.73Å; I414-I466 HydrophobicContact CG1-CD1 3.98Å; I414-I466 HydrophobicContact CG1-CG1 4.27Å; I414-I466 HydrophobicContact CG2-CD1 4.35Å; I414-I466 HydrophobicContact CG2-CG1 4.16Å; I448-I466 HydrophobicContact CB-CD1 4.24Å; I448-I466 HydrophobicContact CD1-CD1 3.73Å; I448-I466 HydrophobicContact CG2-CB 4.36Å; I448-I466 HydrophobicContact CG2-CD1 3.87Å; I448-I466 HydrophobicContact CG2-CG2 4.04Å; Q452-I466 VanDerWaalsContact NE2-CG2 3.34Å; A463-I466 WeakPolarHBondContact O-CG2 3.26Å; M464-I466 PolarHBondContact O-N 3.22Å; M464-I466 VanDerWaalsContact O-N 3.13Å; I466-T468 VanDerWaalsContact C-N 3.33Å; I466-M470 HydrophobicContact CG1-CE 3.88Å |
| 467 | N | 86.2 | Confident | 84.7 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -81.7 | -16.2 | 179.1 | -56.6 | -34.6 | 0 | 0 | 0 | 112 | Q452 M464 L465 | Q452-N467 PolarHBondContact NE2-ND2 2.92Å; Q452-N467 VanDerWaalsContact NE2-ND2 3.2Å; Q452-N467 PolarHBondContact NE2-OD1 3.2Å; Q452-N467 VanDerWaalsContact NE2-OD1 3.09Å; Q452-N467 PolarHBondContact OE1-ND2 3.42Å; M464-N467 WeakPolarHBondContact O-CB 3.4Å; M464-N467 PolarHBondContact O-N 3.31Å; L465-N467 PolarHBondContact O-N 2.82Å |
| 468 | T | 85.6 | Confident | 84.3 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -88.5 | 149.7 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | L465 I466 M470 | L465-T468 PolarHBondContact O-N 3.32Å; L465-T468 VanDerWaalsContact O-N 3.09Å; L465-T468 PolarHBondContact O-OG1 2.83Å; I466-T468 VanDerWaalsContact C-N 3.33Å; T468-M470 PolarHBondContact O-N 3.32Å; T468-M470 VanDerWaalsContact O-N 3.16Å |
| 469 | P | 79.1 | Confident | 83.7 | Confident | 126 Ų | 126 | 76.8 Ų | 76.8 | 82% | 0.818 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 122.7 | 176.8 | 25.2 | -33.3 | 0 | 0 | 0 | 109.6 | T471 | P469-T471 PolarHBondContact O-N 3.32Š|
| 470 | M | 74.3 | Confident | 83.2 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 20% | 0.202 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 121.9 | -178.9 | -65.2 | -175.5 | 179.5 | 0 | 0 | 110.3 | Y401 I404 R405 I414 I466 T468 | Y401-M470 HydrophobicContact CD1-CE 4.05Å; I404-M470 HydrophobicContact CG2-SD 4.14Å; R405-M470 HydrophobicContact CG-CB 4.29Å; R405-M470 HydrophobicContact CG-SD 4.17Å; I414-M470 HydrophobicContact CD1-CE 3.57Å; I466-M470 HydrophobicContact CG1-CE 3.88Å; T468-M470 PolarHBondContact O-N 3.32Å; T468-M470 VanDerWaalsContact O-N 3.16Å |
| 471 | T | 75.6 | Confident | 82.6 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 61% | 0.613 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 154.4 | 168.2 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | R405 P469 Q473 | R405-T471 WeakPolarHBondContact CD-O 2.96Å; P469-T471 PolarHBondContact O-N 3.32Å; T471-Q473 VanDerWaalsContact C-N 3.29Å; T471-Q473 HydrophobicContact CG2-CB 4.32Å; T471-Q473 PolarHBondContact O-N 2.68Å |
| 472 | E | 69.6 | Low | 82.1 | Confident | 189 Ų | 189 | 79.5 Ų | 79.5 | 88% | 0.883 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -71.1 | -21.5 | 177.1 | -64.6 | -174.3 | 166.6 | 0 | 0 | 113.6 | ||
| 473 | Q | 78.6 | Confident | 81.8 | Confident | 154 Ų | 154 | 80.9 Ų | 80.9 | 72% | 0.72 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -71.5 | 133.5 | 179.4 | -172.3 | 171.4 | -1.7 | 0 | 0 | 111 | R405 T471 | R405-Q473 PolarHBondContact NH1-O 2.91Å; T471-Q473 VanDerWaalsContact C-N 3.29Å; T471-Q473 HydrophobicContact CG2-CB 4.32Å; T471-Q473 PolarHBondContact O-N 2.68Å |
| 474 | E | 80.9 | Confident | 81.4 | Confident | 86 Ų | 86 | 84 Ų | 84 | 40% | 0.402 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 145.6 | 175.4 | -64.5 | -171.3 | -178.1 | 0 | 0 | 111.7 | R406 | R406-E474 WeakPolarHBondContact CG-OE1 3.27Å; R406-E474 IonicContact CZ-OE1 3.84Å; R406-E474 IonicContact CZ-OE2 2.82Å; R406-E474 IonicContact NE-OE1 3.38Å; R406-E474 PolarHBondContact NE-OE1 3.25Å; R406-E474 IonicContact NE-OE2 2.68Å; R406-E474 PolarHBondContact NE-OE2 2.9Å; R406-E474 IonicContact NH2-OE1 3.48Å; R406-E474 IonicContact NH2-OE2 3.49Å; R406-E474 PolarHBondContact NH2-OE2 3.41Å |
| 475 | D | 80.4 | Confident | 81.1 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 34% | 0.342 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 131.8 | 171.2 | -58.3 | -24.9 | 0 | 0 | 0 | 108.7 | N402 R405 I477 | N402-D475 PolarHBondContact ND2-O 2.93Å; N402-D475 PolarHBondContact OD1-N 2.91Å; N402-D475 VanDerWaalsContact OD1-N 3.17Å; R405-D475 IonicContact CZ-OD1 3.67Å; R405-D475 IonicContact CZ-OD2 3.41Å; R405-D475 IonicContact NH1-OD1 2.81Å; R405-D475 PolarHBondContact NH1-OD1 2.68Å; R405-D475 IonicContact NH1-OD2 3.26Å; R405-D475 PolarHBondContact NH1-OD2 2.9Å; R405-D475 IonicContact NH2-OD1 3.56Å; R405-D475 IonicContact NH2-OD2 2.8Å; R405-D475 PolarHBondContact NH2-OD2 3.1Å; D475-I477 PolarHBondContact O-N 3.45Å |
| 476 | D | 82.1 | Confident | 81.1 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -72 | 116.2 | 173.4 | -171.6 | 3.7 | 0 | 0 | 0 | 109.7 | S478 | D476-S478 VanDerWaalsContact C-N 3.32Å; D476-S478 WeakPolarHBondContact OD1-CB 3.27Å; D476-S478 PolarHBondContact OD1-N 3.49Å; D476-S478 PolarHBondContact OD1-OG 3.29Å |
| 477 | I | 81.3 | Confident | 81 | Confident | 4 Ų | 4 | 90.3 Ų | 90.3 | 2% | 0.021 | 47% | 0.472 | C | S | . | . | trans | -82.3 | -18.1 | -178.9 | -48.9 | 171.2 | 0 | 0 | 0 | 110.1 | M395 P398 F399 N402 D475 E479 V480 L481 | M395-I477 HydrophobicContact CG-CG2 4.1Å; P398-I477 HydrophobicContact CB-CG1 4.42Å; F399-I477 HydrophobicContact CB-CD1 4.02Å; F399-I477 HydrophobicContact CD2-CD1 3.85Å; F399-I477 HydrophobicContact CG-CD1 4.28Å; N402-I477 WeakPolarHBondContact ND2-CD1 3.33Å; D475-I477 PolarHBondContact O-N 3.45Å; I477-E479 VanDerWaalsContact C-N 3.31Å; I477-E479 PolarHBondContact O-N 3.27Å; I477-V480 WeakPolarHBondContact O-CA 3.3Å; I477-V480 PolarHBondContact O-N 2.84Å; I477-L481 HydrophobicContact CG2-CD2 3.94Å; I477-L481 HydrophobicContact CG2-CG 4.08Å; I477-L481 WeakPolarHBondContact O-CG 3.03Å; I477-L481 PolarHBondContact O-N 3.41Å | ||
| 478 | S | 80.6 | Confident | 81 | Confident | 57 Ų | 57 | 86.1 Ų | 86.1 | 40% | 0.399 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | -169.3 | -51.4 | 0 | 0 | 0 | 0 | 112.9 | D476 V480 L481 | D476-S478 VanDerWaalsContact C-N 3.32Å; D476-S478 WeakPolarHBondContact OD1-CB 3.27Å; D476-S478 PolarHBondContact OD1-N 3.49Å; D476-S478 PolarHBondContact OD1-OG 3.29Å; S478-V480 VanDerWaalsContact C-N 3.25Å; S478-V480 PolarHBondContact O-N 3.34Å; S478-L481 PolarHBondContact O-N 2.88Å |
| 479 | E | 77.6 | Confident | 81.1 | Confident | 162 Ų | 162 | 87.3 Ų | 87.3 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66 | -28.1 | 177.5 | -60.1 | -173.1 | 167.8 | 0 | 0 | 112.9 | I477 | I477-E479 VanDerWaalsContact C-N 3.31Å; I477-E479 PolarHBondContact O-N 3.27Å |
| 480 | V | 81.8 | Confident | 81.5 | Confident | 33 Ų | 33 | 85.2 Ų | 85.2 | 20% | 0.2 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -90.7 | -19.6 | -176.3 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | L394 M395 I477 S478 E482 I483 | L394-V480 HydrophobicContact CB-CG1 3.97Å; L394-V480 WeakPolarHBondContact O-CG1 3.33Å; M395-V480 HydrophobicContact CB-CG1 4.3Å; I477-V480 WeakPolarHBondContact O-CA 3.3Å; I477-V480 PolarHBondContact O-N 2.84Å; S478-V480 VanDerWaalsContact C-N 3.25Å; S478-V480 PolarHBondContact O-N 3.34Å; V480-E482 VanDerWaalsContact C-N 3.29Å; V480-E482 PolarHBondContact O-N 2.88Å; V480-I483 HydrophobicContact CB-CD1 4.42Å; V480-I483 HydrophobicContact CG1-CD1 4.1Å |
| 481 | L | 80.9 | Confident | 82 | Confident | 12 Ų | 12 | 88.7 Ų | 88.7 | 6% | 0.063 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.6 | -35.5 | -177.2 | -73.8 | 177.5 | 0 | 0 | 0 | 113.2 | A354 F357 H358 M395 I477 S478 | A354-L481 HydrophobicContact CB-CB 4.12Å; A354-L481 WeakPolarHBondContact CB-O 3.43Å; F357-L481 HydrophobicContact CB-CD2 3.62Å; H358-L481 HydrophobicContact CB-CD1 3.79Å; M395-L481 HydrophobicContact CE-CD2 4.04Å; M395-L481 WeakPolarHBondContact CE-O 3.39Å; M395-L481 HydrophobicContact CG-CD2 3.73Å; M395-L481 HydrophobicContact SD-CD2 3.51Å; M395-L481 VanDerWaalsContact SD-CD2 3.51Å; I477-L481 HydrophobicContact CG2-CD2 3.94Å; I477-L481 HydrophobicContact CG2-CG 4.08Å; I477-L481 WeakPolarHBondContact O-CG 3.03Å; I477-L481 PolarHBondContact O-N 3.41Å; S478-L481 PolarHBondContact O-N 2.88Å |
| 482 | E | 80.6 | Confident | 82.3 | Confident | 155 Ų | 155 | 87.9 Ų | 87.9 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -5.8 | -170.6 | -59.8 | -166.2 | 157.7 | 0 | 0 | 114 | A354 V480 T484 | A354-E482 HydrophobicContact CB-CG 4.44Å; V480-E482 VanDerWaalsContact C-N 3.29Å; V480-E482 PolarHBondContact O-N 2.88Å; E482-T484 PolarHBondContact O-N 3.28Å; E482-T484 VanDerWaalsContact O-N 3.11Å |
| 483 | I | 83.3 | Confident | 83 | Confident | 43 Ų | 43 | 85 Ų | 85 | 22% | 0.221 | 42% | 0.423 | C | S | . | . | trans | -60.9 | 118.7 | -175.6 | -58.8 | 178.8 | 0 | 0 | 0 | 110.6 | V480 L488 | V480-I483 HydrophobicContact CB-CD1 4.42Å; V480-I483 HydrophobicContact CG1-CD1 4.1Å; I483-L488 HydrophobicContact CG2-CB 4.29Å | ||
| 484 | T | 84.6 | Confident | 83.1 | Confident | 65 Ų | 65 | 83.6 Ų | 83.6 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | trans | -86.9 | 156.7 | 174.7 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | E482 Y486 E487 L488 | E482-T484 PolarHBondContact O-N 3.28Å; E482-T484 VanDerWaalsContact O-N 3.11Å; T484-Y486 PolarHBondContact O-N 3.19Å; T484-E487 PolarHBondContact N-OE2 2.89Å; T484-E487 PolarHBondContact O-N 2.75Å; T484-E487 VanDerWaalsContact OG1-CG 3.27Å; T484-E487 WeakPolarHBondContact OG1-CG 3.37Å; T484-E487 PolarHBondContact OG1-N 3.31Å; T484-E487 PolarHBondContact OG1-OE2 3.34Å; T484-L488 PolarHBondContact O-N 3.34Å | ||
| 485 | S | 84.9 | Confident | 82.2 | Confident | 81 Ų | 81 | 85.5 Ų | 85.5 | 57% | 0.566 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.4 | -27.6 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | M489 | S485-M489 WeakPolarHBondContact O-CB 3.46Å; S485-M489 PolarHBondContact O-N 3.42Å; S485-M489 VanDerWaalsContact O-N 3.1Å |
| 486 | Y | 86.8 | Confident | 81.4 | Confident | 152 Ų | 152 | 87.4 Ų | 87.4 | 60% | 0.596 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.7 | -49.2 | 175.6 | 178.5 | -92 | 0 | 0 | 0 | 111.4 | T484 L488 M489 E490 | T484-Y486 PolarHBondContact O-N 3.19Å; Y486-L488 VanDerWaalsContact C-N 3.31Å; Y486-L488 PolarHBondContact O-N 3.4Å; Y486-M489 HydrophobicContact CD2-CE 4.24Å; Y486-M489 HydrophobicContact CE2-CE 4.47Å; Y486-M489 PolarHBondContact O-N 3.05Å; Y486-E490 WeakPolarHBondContact CE1-OE2 3.14Å; Y486-E490 WeakPolarHBondContact O-CB 3.25Å; Y486-E490 PolarHBondContact O-N 2.93Å |
| 487 | E | 86.4 | Confident | 80.3 | Confident | 94 Ų | 94 | 91.9 Ų | 91.9 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 177.6 | -71.3 | 158.7 | 161.9 | 0 | 0 | 112 | T484 E490 R491 | T484-E487 PolarHBondContact N-OE2 2.89Å; T484-E487 PolarHBondContact O-N 2.75Å; T484-E487 VanDerWaalsContact OG1-CG 3.27Å; T484-E487 WeakPolarHBondContact OG1-CG 3.37Å; T484-E487 PolarHBondContact OG1-N 3.31Å; T484-E487 PolarHBondContact OG1-OE2 3.34Å; E487-E490 PolarHBondContact O-N 3.15Å; E487-R491 WeakPolarHBondContact O-CB 3.44Å; E487-R491 PolarHBondContact O-N 3.35Å |
| 488 | L | 86.4 | Confident | 79.3 | Confident | 11 Ų | 11 | 94.7 Ų | 94.7 | 6% | 0.058 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 174.5 | -175.7 | 63.2 | 0 | 0 | 0 | 110.6 | P390 T391 L394 I483 T484 Y486 E490 R491 D492 | P390-L488 HydrophobicContact CB-CD2 4.17Å; T391-L488 HydrophobicContact CG2-CB 4.26Å; T391-L488 HydrophobicContact CG2-CD2 3.78Å; L394-L488 HydrophobicContact CD1-CD1 4.03Å; L394-L488 HydrophobicContact CD1-CD2 4.49Å; I483-L488 HydrophobicContact CG2-CB 4.29Å; T484-L488 PolarHBondContact O-N 3.34Å; Y486-L488 VanDerWaalsContact C-N 3.31Å; Y486-L488 PolarHBondContact O-N 3.4Å; L488-E490 PolarHBondContact O-N 2.96Å; L488-R491 WeakPolarHBondContact O-CB 3.28Å; L488-R491 PolarHBondContact O-N 3.04Å; L488-D492 PolarHBondContact O-N 3.38Å |
| 489 | M | 86.8 | Confident | 78.3 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 49% | 0.493 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 176.2 | -177.2 | -178.7 | 76.2 | 0 | 0 | 112 | S485 Y486 R491 D492 L493 | S485-M489 WeakPolarHBondContact O-CB 3.46Å; S485-M489 PolarHBondContact O-N 3.42Å; S485-M489 VanDerWaalsContact O-N 3.1Å; Y486-M489 HydrophobicContact CD2-CE 4.24Å; Y486-M489 HydrophobicContact CE2-CE 4.47Å; Y486-M489 PolarHBondContact O-N 3.05Å; M489-R491 VanDerWaalsContact C-N 3.33Å; M489-R491 PolarHBondContact O-N 3.49Å; M489-D492 PolarHBondContact O-N 3.46Å; M489-L493 HydrophobicContact CE-CD1 4.5Å; M489-L493 HydrophobicContact CG-CD1 3.93Å; M489-L493 HydrophobicContact CG-CG 4.34Å; M489-L493 WeakPolarHBondContact O-CB 3.16Å; M489-L493 VanDerWaalsContact O-CG 3.22Å; M489-L493 WeakPolarHBondContact O-CG 3.19Å; M489-L493 PolarHBondContact O-N 3.09Å |
| 490 | E | 87.8 | Confident | 78 | Confident | 83 Ų | 83 | 99.3 Ų | 99.3 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.2 | -170.4 | -175.1 | 163 | 0 | 0 | 111.6 | Y486 E487 L488 D492 L493 K494 | Y486-E490 WeakPolarHBondContact CE1-OE2 3.14Å; Y486-E490 WeakPolarHBondContact O-CB 3.25Å; Y486-E490 PolarHBondContact O-N 2.93Å; E487-E490 PolarHBondContact O-N 3.15Å; L488-E490 PolarHBondContact O-N 2.96Å; E490-D492 VanDerWaalsContact C-N 3.31Å; E490-D492 PolarHBondContact O-N 3.15Å; E490-L493 PolarHBondContact O-N 3.44Å; E490-K494 WeakPolarHBondContact O-CG 3.47Å; E490-K494 PolarHBondContact O-N 2.82Å; E490-K494 VanDerWaalsContact O-N 3.12Å |
| 491 | R | 85.2 | Confident | 77.8 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.1 | -170.8 | -175.1 | 67.5 | 161.7 | 5.1 | 111.5 | D458 E487 L488 M489 K494 | D458-R491 IonicContact OD2-CZ 2.75Å; D458-R491 IonicContact OD2-NH2 3.55Å; D458-R491 PolarHBondContact OD2-NH2 3.17Å; E487-R491 WeakPolarHBondContact O-CB 3.44Å; E487-R491 PolarHBondContact O-N 3.35Å; L488-R491 WeakPolarHBondContact O-CB 3.28Å; L488-R491 PolarHBondContact O-N 3.04Å; M489-R491 VanDerWaalsContact C-N 3.33Å; M489-R491 PolarHBondContact O-N 3.49Å; R491-K494 PolarHBondContact O-N 3.06Å |
| 492 | D | 82 | Confident | 77.7 | Confident | 84 Ų | 84 | 110.7 Ų | 110.7 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.2 | -27.8 | 179.5 | -61.8 | -14.9 | 0 | 0 | 0 | 112.5 | H456 L488 M489 E490 | H456-D492 IonicContact NE2-OD2 3.63Å; H456-D492 PolarHBondContact NE2-OD2 3.35Å; L488-D492 PolarHBondContact O-N 3.38Å; M489-D492 PolarHBondContact O-N 3.46Å; E490-D492 VanDerWaalsContact C-N 3.31Å; E490-D492 PolarHBondContact O-N 3.15Å |
| 493 | L | 83.6 | Confident | 77.8 | Confident | 127 Ų | 127 | 111.1 Ų | 111.1 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.1 | -18.4 | 175.1 | -73.9 | 172.3 | 0 | 0 | 0 | 113.3 | M489 E490 | M489-L493 HydrophobicContact CE-CD1 4.5Å; M489-L493 HydrophobicContact CG-CD1 3.93Å; M489-L493 HydrophobicContact CG-CG 4.34Å; M489-L493 WeakPolarHBondContact O-CB 3.16Å; M489-L493 VanDerWaalsContact O-CG 3.22Å; M489-L493 WeakPolarHBondContact O-CG 3.19Å; M489-L493 PolarHBondContact O-N 3.09Å; E490-L493 PolarHBondContact O-N 3.44Å |
| 494 | K | 80.9 | Confident | 77.7 | Confident | 125 Ų | 125 | 116.5 Ų | 116.5 | 54% | 0.543 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -61.6 | 128.6 | 174.9 | -78.8 | 171.4 | -172.8 | 176.3 | 0 | 108.4 | E490 R491 T496 | E490-K494 WeakPolarHBondContact O-CG 3.47Å; E490-K494 PolarHBondContact O-N 2.82Å; E490-K494 VanDerWaalsContact O-N 3.12Å; R491-K494 PolarHBondContact O-N 3.06Å; K494-T496 PolarHBondContact O-N 3.5Å |
| 495 | P | 62.3 | Low | 77.4 | Confident | 126 Ų | 126 | 122.8 Ų | 122.8 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -62.4 | 109.1 | -174.5 | 23.9 | -32.2 | 0 | 0 | 0 | 109.4 | ||||
| 496 | T | 62.7 | Low | 77 | Confident | 104 Ų | 104 | 125 Ų | 125 | 64% | 0.638 | 62% | 0.623 | S | S | * | * | trans | -61.8 | 138.2 | 160.3 | 33.3 | 0 | 0 | 0 | 0 | 108 | K494 S498 | K494-T496 PolarHBondContact O-N 3.5Å; T496-S498 PolarHBondContact O-N 2.94Å | ||
| 497 | E | 61 | Low | 76.2 | Confident | 199 Ų | 199 | 123.7 Ų | 123.7 | 93% | 0.93 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -60.3 | 4.9 | -174 | -62.4 | -176 | 152.9 | 0 | 0 | 115.2 | K499 | E497-K499 PolarHBondContact O-N 2.75Š|
| 498 | S | 60 | Low | 75.3 | Confident | 62 Ų | 62 | 122.6 Ų | 122.6 | 43% | 0.434 | 64% | 0.638 | S | S | . | * | trans | -77.6 | 104.4 | 177.8 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | T496 S500 | T496-S498 PolarHBondContact O-N 2.94Å; S498-S500 VanDerWaalsContact C-N 3.29Å; S498-S500 PolarHBondContact O-N 3.38Å | ||
| 499 | K | 58.2 | Low | 74.4 | Confident | 214 Ų | 214 | 125.4 Ų | 125.4 | 93% | 0.93 | 66% | 0.663 | S | S | * | * | trans | -76.8 | -1.1 | -179 | -74.9 | 177.4 | 176.6 | 173.9 | 0 | 115.6 | E497 | E497-K499 PolarHBondContact O-N 2.75Š| ||
| 500 | S | 71.8 | Confident | 73.5 | Confident | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | trans | -132.2 | 110.6 | -176.8 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | S498 | S498-S500 VanDerWaalsContact C-N 3.29Å; S498-S500 PolarHBondContact O-N 3.38Å | ||
| 501 | F | 77.6 | Confident | 72.3 | Confident | 158 Ų | 158 | 126.6 Ų | 126.6 | 69% | 0.693 | 67% | 0.67 | S | S | * | * | trans | -88 | 126.4 | 171.3 | -62.5 | -79.7 | 0 | 0 | 0 | 108.7 | L503 | F501-L503 PolarHBondContact O-N 3.17Š| ||
| 502 | P | 79.7 | Confident | 71.4 | Confident | 127 Ų | 127 | 129.3 Ų | 129.3 | 83% | 0.825 | 69% | 0.692 | S | S | * | * | trans | -63.9 | 135.2 | 175.3 | 26.8 | -32.4 | 0 | 0 | 0 | 109.7 | ||||
| 503 | L | 81.6 | Confident | 70.5 | Confident | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 70% | 0.699 | S | S | * | * | trans | -104.1 | 146.9 | 174.8 | -65.7 | 172.7 | 0 | 0 | 0 | 109.5 | F501 F505 | F501-L503 PolarHBondContact O-N 3.17Å; L503-F505 PolarHBondContact O-N 3.09Å | ||
| 504 | E | 81.3 | Confident | 69.2 | Low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 70% | 0.704 | S | S | * | * | trans | -64.6 | 130.1 | 174 | -165.8 | 60 | -140.2 | 0 | 0 | 109.8 | ||||
| 505 | F | 78.3 | Confident | 67.8 | Low | 196 Ų | 196 | 133.4 Ų | 133.4 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -73.3 | -33.4 | -179.8 | 180 | -100.7 | 0 | 0 | 0 | 111.8 | L503 T507 | L503-F505 PolarHBondContact O-N 3.09Å; F505-T507 PolarHBondContact O-N 3.2Å |
| 506 | E | 76.3 | Confident | 67.4 | Low | 127 Ų | 127 | 130.6 Ų | 130.6 | 59% | 0.593 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -82.9 | 111.4 | 178.1 | -63.9 | -172.1 | 172.4 | 0 | 0 | 110.6 | A508 H522 | E506-A508 PolarHBondContact O-N 3.21Å; E506-H522 IonicContact OE2-CE1 3.59Å |
| 507 | T | 71 | Confident | 67 | Low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 72% | 0.717 | S | S | * | * | trans | -81.6 | 119.7 | 177.3 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | F505 A509 | F505-T507 PolarHBondContact O-N 3.2Å; T507-A509 VanDerWaalsContact C-N 3.27Å; T507-A509 PolarHBondContact O-N 2.96Å | ||
| 508 | A | 67.6 | Low | 66.6 | Low | 71 Ų | 71 | 127.7 Ų | 127.7 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | trans | -76.4 | 75.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E506 H510 L511 | E506-A508 PolarHBondContact O-N 3.21Å; A508-H510 VanDerWaalsContact C-N 3.26Å; A508-H510 PolarHBondContact O-N 3.13Å; A508-L511 HydrophobicContact CB-CB 4.15Å; A508-L511 HydrophobicContact CB-CD1 4.2Å | ||
| 509 | A | 67.3 | Low | 66.2 | Low | 71 Ų | 71 | 129 Ų | 129 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -27.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T507 | T507-A509 VanDerWaalsContact C-N 3.27Å; T507-A509 PolarHBondContact O-N 2.96Å |
| 510 | H | 67.4 | Low | 65.9 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 53% | 0.532 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.4 | 14.2 | -173.3 | -57.7 | -62.9 | 0 | 0 | 0 | 114.4 | A508 L512 E513 | A508-H510 VanDerWaalsContact C-N 3.26Å; A508-H510 PolarHBondContact O-N 3.13Å; H510-L512 VanDerWaalsContact C-N 3.25Å; H510-L512 PolarHBondContact O-N 3.09Å; H510-E513 HydrophobicContact CB-CB 4.5Å; H510-E513 IonicContact CE1-OE2 3.49Å; H510-E513 IonicContact CG-OE2 3.68Å; H510-E513 IonicContact ND1-OE2 3.64Å; H510-E513 PolarHBondContact ND1-OE2 2.8Å; H510-E513 PolarHBondContact O-N 2.68Å |
| 511 | L | 62.4 | Low | 64.9 | Low | 93 Ų | 93 | 126.5 Ų | 126.5 | 49% | 0.487 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -31.6 | -173.8 | -160.1 | 82.2 | 0 | 0 | 0 | 113.4 | A508 L519 F523 | A508-L511 HydrophobicContact CB-CB 4.15Å; A508-L511 HydrophobicContact CB-CD1 4.2Å; L511-L519 HydrophobicContact CD1-CD2 4.47Å; L511-F523 HydrophobicContact CD1-CE2 4Å |
| 512 | L | 66.7 | Low | 63.7 | Low | 169 Ų | 169 | 124.9 Ų | 124.9 | 89% | 0.885 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -4.7 | -178.9 | -63.8 | 171.8 | 0 | 0 | 0 | 112.9 | H510 G514 | H510-L512 VanDerWaalsContact C-N 3.25Å; H510-L512 PolarHBondContact O-N 3.09Å; L512-G514 PolarHBondContact O-N 3.26Å |
| 513 | E | 62 | Low | 62.3 | Low | 130 Ų | 130 | 125.6 Ų | 125.6 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -91.3 | 83.9 | 179.5 | -67.7 | -174.9 | 163.4 | 0 | 0 | 108.7 | H510 R515 | H510-E513 HydrophobicContact CB-CB 4.5Å; H510-E513 IonicContact CE1-OE2 3.49Å; H510-E513 IonicContact CG-OE2 3.68Å; H510-E513 IonicContact ND1-OE2 3.64Å; H510-E513 PolarHBondContact ND1-OE2 2.8Å; H510-E513 PolarHBondContact O-N 2.68Å; E513-R515 PolarHBondContact O-N 2.81Å |
| 514 | G | 56.9 | Low | 60.2 | Low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -48.2 | 116.7 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | L512 | L512-G514 PolarHBondContact O-N 3.26Š|
| 515 | R | 51.1 | Low | 58 | Low | 218 Ų | 218 | 123.5 Ų | 123.5 | 82% | 0.823 | 67% | 0.665 | S | S | * | * | -159.4 | 123.6 | 124.6 | -95.1 | 174 | -165.6 | -156.9 | 3.6 | 105 | E513 E517 | E513-R515 PolarHBondContact O-N 2.81Å; R515-E517 PolarHBondContact O-N 3.23Å | |||
| 516 | G | 54.7 | Low | 55.9 | Low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 21.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 517 | E | 54.7 | Low | 54.9 | Low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -28.5 | 177.5 | -68.8 | -178.1 | 174 | 0 | 0 | 112.8 | R515 | R515-E517 PolarHBondContact O-N 3.23Š|
| 518 | V | 51.4 | Low | 54.1 | Low | 79 Ų | 79 | 121.9 Ų | 121.9 | 48% | 0.479 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -31.9 | -177.6 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | G520 R521 | V518-G520 PolarHBondContact O-N 3.26Å; V518-R521 PolarHBondContact O-N 3.42Å |
| 519 | L | 51.9 | Low | 53.3 | Low | 89 Ų | 89 | 124.7 Ų | 124.7 | 47% | 0.466 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -62 | -31.4 | 175.9 | -83.3 | 153.1 | 0 | 0 | 0 | 112.2 | L511 R521 F523 | L511-L519 HydrophobicContact CD1-CD2 4.47Å; L519-R521 VanDerWaalsContact C-N 3.3Å; L519-R521 PolarHBondContact O-N 2.97Å; L519-F523 HydrophobicContact CD2-CD2 3.87Å; L519-F523 HydrophobicContact CD2-CE2 4.46Å; L519-F523 HydrophobicContact CD2-CG 4.39Å; L519-F523 WeakPolarHBondContact O-CB 3.38Å; L519-F523 PolarHBondContact O-N 2.7Å |
| 520 | G | 51.9 | Low | 52.5 | Low | 45 Ų | 45 | 127.9 Ų | 127.9 | 46% | 0.464 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -74.6 | -8.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V518 C524 | V518-G520 PolarHBondContact O-N 3.26Å; G520-C524 PolarHBondContact O-SG 3.46Å |
| 521 | R | 51.6 | Low | 51.6 | Low | 219 Ų | 219 | 128.7 Ų | 128.7 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -96 | -27.9 | 175.5 | -81.5 | -174.7 | 175.9 | 171.1 | 0.5 | 113.9 | V518 L519 | V518-R521 PolarHBondContact O-N 3.42Å; L519-R521 VanDerWaalsContact C-N 3.3Å; L519-R521 PolarHBondContact O-N 2.97Å |
| 522 | H | 51.9 | Low | 50.8 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 57% | 0.574 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -117.6 | -18.4 | -173.3 | -63.5 | -84.7 | 0 | 0 | 0 | 114 | E506 | E506-H522 IonicContact OE2-CE1 3.59Å |
| 523 | F | 49.6 | Very low | 49.7 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 62% | 0.623 | 72% | 0.72 | S | S | * | * | trans | -121.4 | 35.1 | -179.4 | -68.5 | -86 | 0 | 0 | 0 | 112.8 | L511 L519 L525 | L511-F523 HydrophobicContact CD1-CE2 4Å; L519-F523 HydrophobicContact CD2-CD2 3.87Å; L519-F523 HydrophobicContact CD2-CE2 4.46Å; L519-F523 HydrophobicContact CD2-CG 4.39Å; L519-F523 WeakPolarHBondContact O-CB 3.38Å; L519-F523 PolarHBondContact O-N 2.7Å; F523-L525 PolarHBondContact O-N 3.16Å | ||
| 524 | C | 38.7 | Very low | 48.8 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | trans | -69.7 | 114.1 | 164.3 | -79.2 | 0 | 0 | 0 | 0 | 109.1 | G520 A526 | G520-C524 PolarHBondContact O-SG 3.46Å; C524-A526 PolarHBondContact O-N 3.36Å; C524-A526 VanDerWaalsContact O-N 3.12Å | ||
| 525 | L | 34.5 | Very low | 48.1 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 94% | 0.942 | 73% | 0.725 | S | S | * | * | trans | -54.6 | 113.1 | 160 | -81.8 | 149.7 | 0 | 0 | 0 | 107.7 | F523 | F523-L525 PolarHBondContact O-N 3.16Š| ||
| 526 | A | 34.9 | Very low | 47.8 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 100% | 1.413 | 72% | 0.716 | S | S | * | * | trans | -79.5 | 0 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C524 | C524-A526 PolarHBondContact O-N 3.36Å; C524-A526 VanDerWaalsContact O-N 3.12Å |
Retrieved 526 of 526 residues in 163.4 ms
(Link to these results)