| 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 | 33.9 | Very low | 28.2 | Very low | 254 Ų | 254 | 163.1 Ų | 163.1 | 100% | 1.251 | 84% | 0.835 | S | S | * | * | 0 | 106.8 | 0 | -81.5 | 172.9 | 171.8 | 0 | 0 | 106.8 | |||||
| 2 | A | 30.6 | Very low | 27.9 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -94 | 140.7 | 179 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | N | 27.7 | Very low | 28 | Very low | 159 Ų | 159 | 155.6 Ų | 155.6 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | 169.1 | 143.2 | 149.9 | -107.7 | 10.8 | 0 | 0 | 0 | 107.2 | ||||
| 4 | S | 27.8 | Very low | 28.1 | Very low | 94 Ų | 94 | 155 Ų | 155 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | -177.7 | 110.1 | -3.2 | 39.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 5 | T | 28.3 | Very low | 28.3 | Very low | 136 Ų | 136 | 157.1 Ų | 157.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -101 | 110.8 | 163.4 | -1 | 0 | 0 | 0 | 0 | 105.6 | D7 | T5-D7 PolarHBondContact O-N 3.39Å; T5-D7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | E | 30.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 156.4 Ų | 156.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -72.2 | 99.8 | 172.8 | -74.2 | 179.1 | 156.1 | 0 | 0 | 108.6 | ||||
| 7 | D | 27.3 | Very low | 29 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -75 | 114.8 | 162.9 | -84 | -37.6 | 0 | 0 | 0 | 108.6 | T5 E9 | T5-D7 PolarHBondContact O-N 3.39Å; T5-D7 VanDerWaalsContact O-N 3.16Å; D7-E9 PolarHBondContact O-N 3.23Å; D7-E9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | Y | 26.5 | Very low | 29.4 | Very low | 220 Ų | 220 | 151.7 Ų | 151.7 | 86% | 0.863 | 74% | 0.744 | S | S | * | * | trans | -72.3 | 94.1 | 166.1 | -94.5 | -102.5 | 0 | 0 | 0 | 108.4 | N10 | Y8-N10 PolarHBondContact O-N 3.23Š| ||
| 9 | E | 28.1 | Very low | 29.5 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -64.3 | 112.7 | 173.4 | -74.5 | -174.4 | 153 | 0 | 0 | 111.6 | D7 Y11 | D7-E9 PolarHBondContact O-N 3.23Å; D7-E9 VanDerWaalsContact O-N 3.1Å; E9-Y11 WeakPolarHBondContact O-CD2 3.43Å; E9-Y11 PolarHBondContact O-N 2.98Å; E9-Y11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | N | 23.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | trans | 4.4 | 82.3 | 136.8 | -141.7 | 18.3 | 0 | 0 | 0 | 117.4 | Y8 T12 | Y8-N10 PolarHBondContact O-N 3.23Å; N10-T12 VanDerWaalsContact C-N 3.35Å; N10-T12 PolarHBondContact O-N 3.04Å | ||
| 11 | Y | 25.2 | Very low | 29.6 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | -79.3 | 82.6 | 167.9 | -76.2 | -88.5 | 0 | 0 | 0 | 110.8 | E9 | E9-Y11 WeakPolarHBondContact O-CD2 3.43Å; E9-Y11 PolarHBondContact O-N 2.98Å; E9-Y11 VanDerWaalsContact O-N 3.11Å | ||
| 12 | T | 25.4 | Very low | 29.5 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 59% | 0.589 | 72% | 0.717 | S | S | * | * | trans | -65.7 | 128 | 167.5 | -19.2 | 0 | 0 | 0 | 0 | 108.9 | N10 E14 | N10-T12 VanDerWaalsContact C-N 3.35Å; N10-T12 PolarHBondContact O-N 3.04Å; T12-E14 VanDerWaalsContact C-N 3.28Å; T12-E14 PolarHBondContact O-N 3.44Å | ||
| 13 | Y | 28.9 | Very low | 29.8 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 52% | 0.522 | 71% | 0.709 | S | S | . | * | trans | -70.4 | 89.5 | 171.2 | -79.9 | -136.5 | 0 | 0 | 0 | 109 | H189 H194 | Y13-H189 AromaticContact CD1-CE1 3.89Å; Y13-H194 WeakPolarHBondContact CB-CE1 3.46Å; Y13-H194 WeakPolarHBondContact CB-ND1 3.45Å; Y13-H194 AromaticContact CD1-ND1 3.58Å; Y13-H194 HydrophobicContact CD2-CB 3.87Å; Y13-H194 AromaticContact CD2-CD2 3.58Å; Y13-H194 AromaticContact CD2-CE1 3.13Å; Y13-H194 WeakPolarHBondContact CD2-CE1 3.32Å; Y13-H194 AromaticContact CD2-CG 3.17Å; Y13-H194 AromaticContact CD2-ND1 2.86Å; Y13-H194 WeakPolarHBondContact CD2-ND1 3.11Å; Y13-H194 AromaticContact CD2-NE2 3.57Å; Y13-H194 HydrophobicContact CE1-CB 4.04Å; Y13-H194 AromaticContact CE1-ND1 3.99Å; Y13-H194 HydrophobicContact CE2-CB 3.29Å; Y13-H194 AromaticContact CE2-CD2 3.69Å; Y13-H194 AromaticContact CE2-CE1 3.96Å; Y13-H194 AromaticContact CE2-CG 3.14Å; Y13-H194 AromaticContact CE2-ND1 3.34Å; Y13-H194 VanDerWaalsContact CE2-ND1 3.34Å; Y13-H194 WeakPolarHBondContact CE2-ND1 3.28Å; Y13-H194 HydrophobicContact CG-CB 4.44Å; Y13-H194 AromaticContact CG-CE1 3.34Å; Y13-H194 AromaticContact CG-CG 3.77Å; Y13-H194 AromaticContact CG-ND1 2.99Å; Y13-H194 VanDerWaalsContact CZ-CB 3.41Å; Y13-H194 AromaticContact CZ-CG 3.74Å; Y13-H194 AromaticContact CZ-ND1 3.89Å | ||
| 14 | E | 28.8 | Very low | 30.5 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | trans | -80.9 | 118.3 | 161 | -79.2 | 178.1 | 144.7 | 0 | 0 | 108.6 | T12 E16 | T12-E14 VanDerWaalsContact C-N 3.28Å; T12-E14 PolarHBondContact O-N 3.44Å; E14-E16 HydrophobicContact CB-CG 4.17Å; E14-E16 PolarHBondContact O-N 3.17Å | ||
| 15 | Y | 32.3 | Very low | 30.8 | Very low | 186 Ų | 186 | 143 Ų | 143 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | trans | -65.5 | 80.2 | 151.2 | -114.3 | -97.9 | 0 | 0 | 0 | 106.3 | E17 | Y15-E17 PolarHBondContact O-N 3.27Å; Y15-E17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | E | 29.5 | Very low | 31.4 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | trans | -70.1 | 99.3 | 164.3 | -82 | -172.1 | 151.1 | 0 | 0 | 108 | E14 | E14-E16 HydrophobicContact CB-CG 4.17Å; E14-E16 PolarHBondContact O-N 3.17Å | ||
| 17 | E | 37.6 | Very low | 32.2 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | trans | -89.5 | 89 | 139.1 | -170 | -175.3 | -170 | 0 | 0 | 107.1 | Y15 R282 | Y15-E17 PolarHBondContact O-N 3.27Å; Y15-E17 VanDerWaalsContact O-N 3.09Å; E17-R282 IonicContact OE1-CZ 3.79Å; E17-R282 IonicContact OE1-NE 2.78Å; E17-R282 IonicContact OE1-NH2 3.67Å; E17-R282 PolarHBondContact OE1-NH2 2.86Å | ||
| 18 | Y | 37.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 43% | 0.431 | 64% | 0.639 | S | S | . | * | trans | 174 | 118.3 | 137.7 | -112.9 | -146.7 | 0 | 0 | 0 | 111.4 | L24 | Y18-L24 HydrophobicContact CD1-CD1 3.27Å; Y18-L24 HydrophobicContact CD1-CD2 4.43Å; Y18-L24 HydrophobicContact CD1-CG 4.18Å; Y18-L24 HydrophobicContact CE1-CD1 2.98Å; Y18-L24 HydrophobicContact CE1-CD2 3.35Å; Y18-L24 HydrophobicContact CE1-CG 3.37Å; Y18-L24 HydrophobicContact CE2-CD1 4.26Å; Y18-L24 HydrophobicContact CE2-CG 4.44Å; Y18-L24 HydrophobicContact CG-CD1 4.07Å; Y18-L24 VanDerWaalsContact CZ-CD1 3.48Å; Y18-L24 VanDerWaalsContact CZ-CG 3.45Å; Y18-L24 WeakPolarHBondContact OH-CD2 3.49Å; Y18-L24 WeakPolarHBondContact OH-CG 3.42Å | ||
| 19 | G | 30.3 | Very low | 34.2 | Very low | 51 Ų | 51 | 127.5 Ų | 127.5 | 53% | 0.526 | 62% | 0.624 | S | S | . | * | trans | -62.9 | 159.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 20 | D | 28.6 | Very low | 35.3 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 62% | 0.619 | S | S | * | * | trans | -36 | 144.5 | 173.5 | -97.1 | -42.2 | 0 | 0 | 0 | 114.3 | E22 D23 | D20-E22 PolarHBondContact O-N 3.04Å; D20-D23 PolarHBondContact O-N 3.39Å | ||
| 21 | M | 32.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 120.7 Ų | 120.7 | 82% | 0.823 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -7.7 | -175.3 | -98.6 | -169.3 | -75.6 | 0 | 0 | 116.4 | ||
| 22 | E | 32.9 | Very low | 39.4 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 84% | 0.836 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -25.1 | 176 | -73.8 | -175.3 | 147.8 | 0 | 0 | 113.7 | D20 | D20-E22 PolarHBondContact O-N 3.04Š|
| 23 | D | 37.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -17.7 | 177.4 | -83 | -28.6 | 0 | 0 | 0 | 113.1 | D20 K25 D27 | D20-D23 PolarHBondContact O-N 3.39Å; D23-K25 VanDerWaalsContact C-N 3.29Å; D23-K25 PolarHBondContact O-N 3.33Å; D23-D27 WeakPolarHBondContact O-CB 3.24Å; D23-D27 PolarHBondContact O-N 3.07Å |
| 24 | L | 40.7 | Very low | 44.8 | Very low | 41 Ų | 41 | 109.3 Ų | 109.3 | 22% | 0.215 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -56.6 | -34.4 | 178.4 | -113.3 | 88.8 | 0 | 0 | 0 | 115.4 | Y18 H28 | Y18-L24 HydrophobicContact CD1-CD1 3.27Å; Y18-L24 HydrophobicContact CD1-CD2 4.43Å; Y18-L24 HydrophobicContact CD1-CG 4.18Å; Y18-L24 HydrophobicContact CE1-CD1 2.98Å; Y18-L24 HydrophobicContact CE1-CD2 3.35Å; Y18-L24 HydrophobicContact CE1-CG 3.37Å; Y18-L24 HydrophobicContact CE2-CD1 4.26Å; Y18-L24 HydrophobicContact CE2-CG 4.44Å; Y18-L24 HydrophobicContact CG-CD1 4.07Å; Y18-L24 VanDerWaalsContact CZ-CD1 3.48Å; Y18-L24 VanDerWaalsContact CZ-CG 3.45Å; Y18-L24 WeakPolarHBondContact OH-CD2 3.49Å; Y18-L24 WeakPolarHBondContact OH-CG 3.42Å; L24-H28 PolarHBondContact O-N 3.35Å |
| 25 | K | 34.9 | Very low | 47.4 | Very low | 183 Ų | 183 | 104.1 Ų | 104.1 | 80% | 0.796 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82.7 | -26.4 | -167.9 | -75.6 | -179.8 | 179.4 | 170.1 | 0 | 113.1 | D23 | D23-K25 VanDerWaalsContact C-N 3.29Å; D23-K25 PolarHBondContact O-N 3.33Å |
| 26 | V | 39.9 | Very low | 50.2 | Low | 111 Ų | 111 | 100.1 Ų | 100.1 | 67% | 0.673 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -86.1 | -30.8 | 174.7 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | S29 | V26-S29 PolarHBondContact O-OG 3.11Å |
| 27 | D | 47.5 | Very low | 53.1 | Low | 61 Ų | 61 | 97.3 Ų | 97.3 | 33% | 0.326 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -80.4 | -26.1 | -172.6 | -162.1 | 28.2 | 0 | 0 | 0 | 114.6 | D23 S29 T31 R282 | D23-D27 WeakPolarHBondContact O-CB 3.24Å; D23-D27 PolarHBondContact O-N 3.07Å; D27-S29 VanDerWaalsContact C-N 3.25Å; D27-S29 PolarHBondContact O-N 3.23Å; D27-T31 PolarHBondContact O-OG1 3.06Å; D27-R282 IonicContact OD2-CZ 3.73Å; D27-R282 IonicContact OD2-NH1 2.67Å; D27-R282 PolarHBondContact OD2-NH1 3Å |
| 28 | H | 48.3 | Very low | 55.6 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -27.8 | 174.3 | -120.7 | -66 | 0 | 0 | 0 | 113.3 | L24 T31 E32 | L24-H28 PolarHBondContact O-N 3.35Å; H28-T31 PolarHBondContact O-OG1 2.96Å; H28-T31 VanDerWaalsContact O-OG1 3.08Å; H28-E32 WeakPolarHBondContact O-CG 3.46Å |
| 29 | S | 48.7 | Very low | 58.2 | Low | 79 Ų | 79 | 87.6 Ų | 87.6 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -77.2 | -26.7 | -174.5 | 79.9 | 0 | 0 | 0 | 0 | 114.5 | V26 D27 P33 | V26-S29 PolarHBondContact O-OG 3.11Å; D27-S29 VanDerWaalsContact C-N 3.25Å; D27-S29 PolarHBondContact O-N 3.23Å; S29-P33 WeakPolarHBondContact O-CD 3.44Å |
| 30 | Q | 51.4 | Low | 61.3 | Low | 137 Ų | 137 | 89.1 Ų | 89.1 | 64% | 0.64 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -87.8 | -25 | 179.7 | -67.1 | -169.2 | 7.9 | 0 | 0 | 113 | P33 | Q30-P33 WeakPolarHBondContact O-CD 3.25Å; Q30-P33 VanDerWaalsContact O-CG 3.3Å; Q30-P33 WeakPolarHBondContact O-CG 3.35Å |
| 31 | T | 61.6 | Low | 64.4 | Low | 28 Ų | 28 | 84.3 Ų | 84.3 | 17% | 0.172 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -76 | -34.3 | 177.6 | 42.2 | 0 | 0 | 0 | 0 | 112 | D27 H28 I34 H35 | D27-T31 PolarHBondContact O-OG1 3.06Å; H28-T31 PolarHBondContact O-OG1 2.96Å; H28-T31 VanDerWaalsContact O-OG1 3.08Å; T31-I34 PolarHBondContact O-N 2.77Å; T31-H35 PolarHBondContact O-CD2 3.13Å; T31-H35 VanDerWaalsContact O-CD2 3.24Å; T31-H35 PolarHBondContact O-N 3.49Å; T31-H35 PolarHBondContact O-ND1 2.97Å |
| 32 | E | 72.4 | Confident | 67.4 | Low | 114 Ų | 114 | 76.6 Ų | 76.6 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55 | -52.3 | 175.5 | -78.1 | -165.8 | -174.3 | 0 | 0 | 115.7 | H28 I34 H35 I36 | H28-E32 WeakPolarHBondContact O-CG 3.46Å; E32-I34 VanDerWaalsContact C-N 3.26Å; E32-I34 PolarHBondContact O-N 3.38Å; E32-H35 PolarHBondContact O-N 3.04Å; E32-I36 VanDerWaalsContact O-CG1 3.31Å; E32-I36 WeakPolarHBondContact O-CG1 3.38Å; E32-I36 PolarHBondContact O-N 3.19Å |
| 33 | P | 83.9 | Confident | 70.3 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 39% | 0.39 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.2 | -33.4 | -179.7 | 22.9 | -33.4 | 0 | 0 | 0 | 112.3 | S29 Q30 I36 I37 | S29-P33 WeakPolarHBondContact O-CD 3.44Å; Q30-P33 WeakPolarHBondContact O-CD 3.25Å; Q30-P33 VanDerWaalsContact O-CG 3.3Å; Q30-P33 WeakPolarHBondContact O-CG 3.35Å; P33-I36 PolarHBondContact O-N 3.13Å; P33-I37 WeakPolarHBondContact O-CD1 3.45Å; P33-I37 WeakPolarHBondContact O-CG1 3.25Å; P33-I37 PolarHBondContact O-N 3.32Å |
| 34 | I | 83.8 | Confident | 73 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | 178.3 | -65.7 | 172.1 | 0 | 0 | 0 | 111 | T31 E32 I37 S38 A283 P286 L287 | T31-I34 PolarHBondContact O-N 2.77Å; E32-I34 VanDerWaalsContact C-N 3.26Å; E32-I34 PolarHBondContact O-N 3.38Å; I34-I37 PolarHBondContact O-N 3.42Å; I34-S38 WeakPolarHBondContact O-CB 3.4Å; I34-S38 PolarHBondContact O-N 3.06Å; I34-S38 PolarHBondContact O-OG 3.06Å; I34-A283 HydrophobicContact CD1-CB 3.53Å; I34-P286 HydrophobicContact CG2-CB 4.36Å; I34-L287 HydrophobicContact CG1-CD1 4.49Å; I34-L287 HydrophobicContact CG2-CD1 4.36Å; I34-L287 HydrophobicContact CG2-CD2 3.92Å; I34-L287 HydrophobicContact CG2-CG 3.81Å |
| 35 | H | 85 | Confident | 75.6 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 175.3 | -61.9 | 168.4 | 0 | 0 | 0 | 110.9 | T31 E32 I37 S38 I39 I94 F98 | T31-H35 PolarHBondContact O-CD2 3.13Å; T31-H35 VanDerWaalsContact O-CD2 3.24Å; T31-H35 PolarHBondContact O-N 3.49Å; T31-H35 PolarHBondContact O-ND1 2.97Å; E32-H35 PolarHBondContact O-N 3.04Å; H35-I37 PolarHBondContact O-N 3.07Å; H35-S38 PolarHBondContact O-N 3.4Å; H35-I39 WeakPolarHBondContact O-CD1 3.2Å; H35-I39 VanDerWaalsContact O-CG1 3.27Å; H35-I39 WeakPolarHBondContact O-CG1 3.4Å; H35-I39 PolarHBondContact O-N 2.9Å; H35-I94 HydrophobicContact CB-CG2 3.83Å; H35-F98 AromaticContact CE1-CE2 3.45Å; H35-F98 VanDerWaalsContact CE1-CE2 3.45Å; H35-F98 WeakPolarHBondContact CE1-CE2 3.46Å; H35-F98 AromaticContact CE1-CZ 3.61Å; H35-F98 AromaticContact NE2-CE2 3.66Å; H35-F98 AromaticContact NE2-CZ 3.39Å; H35-F98 WeakPolarHBondContact NE2-CZ 3.43Å |
| 36 | I | 89.4 | Confident | 78.4 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 177 | -66.2 | 166.3 | 0 | 0 | 0 | 110.7 | E32 P33 S38 I39 V40 | E32-I36 VanDerWaalsContact O-CG1 3.31Å; E32-I36 WeakPolarHBondContact O-CG1 3.38Å; E32-I36 PolarHBondContact O-N 3.19Å; P33-I36 PolarHBondContact O-N 3.13Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 3.06Å; I36-I39 PolarHBondContact O-N 3.42Å; I36-V40 HydrophobicContact CG2-CG2 4.47Å; I36-V40 WeakPolarHBondContact O-CG2 3.29Å; I36-V40 PolarHBondContact O-N 2.97Å |
| 37 | I | 91.4 | Very high | 81 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 177.4 | -69.9 | 164 | 0 | 0 | 0 | 110.7 | P33 I34 H35 I39 V40 I41 L287 | P33-I37 WeakPolarHBondContact O-CD1 3.45Å; P33-I37 WeakPolarHBondContact O-CG1 3.25Å; P33-I37 PolarHBondContact O-N 3.32Å; I34-I37 PolarHBondContact O-N 3.42Å; H35-I37 PolarHBondContact O-N 3.07Å; I37-I39 PolarHBondContact O-N 2.88Å; I37-V40 PolarHBondContact O-N 3.38Å; I37-I41 HydrophobicContact CG2-CD1 3.92Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 2.98Å; I37-L287 HydrophobicContact CB-CD2 4.25Å; I37-L287 HydrophobicContact CG2-CD2 3.78Å |
| 38 | S | 89.9 | Confident | 83 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.3 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | I34 H35 I36 V40 I41 Y42 S290 | I34-S38 WeakPolarHBondContact O-CB 3.4Å; I34-S38 PolarHBondContact O-N 3.06Å; I34-S38 PolarHBondContact O-OG 3.06Å; H35-S38 PolarHBondContact O-N 3.4Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 3.06Å; S38-V40 PolarHBondContact O-N 2.86Å; S38-I41 WeakPolarHBondContact O-CB 3.48Å; S38-I41 PolarHBondContact O-N 2.86Å; S38-Y42 WeakPolarHBondContact O-CD2 3.26Å; S38-Y42 PolarHBondContact O-N 3.34Å; S38-S290 VanDerWaalsContact CB-OG 3.28Å; S38-S290 WeakPolarHBondContact CB-OG 3.21Å; S38-S290 PolarHBondContact OG-OG 3.43Å |
| 39 | I | 92.3 | Very high | 85.2 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.9 | -69.7 | 162.1 | 0 | 0 | 0 | 111.1 | H35 I36 I37 I41 Y42 I43 I91 I94 L95 | H35-I39 WeakPolarHBondContact O-CD1 3.2Å; H35-I39 VanDerWaalsContact O-CG1 3.27Å; H35-I39 WeakPolarHBondContact O-CG1 3.4Å; H35-I39 PolarHBondContact O-N 2.9Å; I36-I39 PolarHBondContact O-N 3.42Å; I37-I39 PolarHBondContact O-N 2.88Å; I39-I41 VanDerWaalsContact C-N 3.31Å; I39-I41 PolarHBondContact O-N 3.29Å; I39-Y42 PolarHBondContact O-N 2.72Å; I39-Y42 VanDerWaalsContact O-N 3.12Å; I39-I43 HydrophobicContact CG2-CD1 3.73Å; I39-I43 HydrophobicContact CG2-CG1 4.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.31Å; I39-I43 PolarHBondContact O-N 2.87Å; I39-I91 HydrophobicContact CG2-CG2 4.36Å; I39-I94 HydrophobicContact CD1-CB 4.46Å; I39-I94 HydrophobicContact CD1-CG2 3.78Å; I39-I94 HydrophobicContact CG1-CB 4.42Å; I39-I94 HydrophobicContact CG1-CG2 4.03Å; I39-L95 HydrophobicContact CD1-CD2 3.68Å; I39-L95 HydrophobicContact CD1-CG 4.22Å |
| 40 | V | 94.4 | Very high | 87.4 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | I36 I37 S38 T44 | I36-V40 HydrophobicContact CG2-CG2 4.47Å; I36-V40 WeakPolarHBondContact O-CG2 3.29Å; I36-V40 PolarHBondContact O-N 2.97Å; I37-V40 PolarHBondContact O-N 3.38Å; S38-V40 PolarHBondContact O-N 2.86Å; V40-T44 WeakPolarHBondContact O-CB 3.39Å; V40-T44 PolarHBondContact O-N 3.48Å; V40-T44 PolarHBondContact O-OG1 3.3Å |
| 41 | I | 94.1 | Very high | 89.2 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 174 | -68.8 | 168.1 | 0 | 0 | 0 | 109.9 | I37 S38 I39 T44 C45 S290 F294 | I37-I41 HydrophobicContact CG2-CD1 3.92Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 2.98Å; S38-I41 WeakPolarHBondContact O-CB 3.48Å; S38-I41 PolarHBondContact O-N 2.86Å; I39-I41 VanDerWaalsContact C-N 3.31Å; I39-I41 PolarHBondContact O-N 3.29Å; I41-T44 CarbonylContact O-C 3.55Å; I41-T44 WeakPolarHBondContact O-CB 3.21Å; I41-T44 PolarHBondContact O-N 2.9Å; I41-C45 PolarHBondContact O-N 2.87Å; I41-C45 PolarHBondContact O-SG 3.2Å; I41-S290 WeakPolarHBondContact CG2-O 3.43Å; I41-F294 HydrophobicContact CG2-CB 4.12Å; I41-F294 HydrophobicContact CG2-CD2 4.05Å |
| 42 | Y | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | -179.4 | -63.7 | -19.4 | 0 | 0 | 0 | 113.7 | S38 I39 T44 C45 I46 L87 I91 I94 S290 F293 | S38-Y42 WeakPolarHBondContact O-CD2 3.26Å; S38-Y42 PolarHBondContact O-N 3.34Å; I39-Y42 PolarHBondContact O-N 2.72Å; I39-Y42 VanDerWaalsContact O-N 3.12Å; Y42-T44 VanDerWaalsContact C-N 3.29Å; Y42-T44 PolarHBondContact O-N 2.87Å; Y42-C45 WeakPolarHBondContact O-CB 3.43Å; Y42-C45 PolarHBondContact O-N 2.89Å; Y42-C45 VanDerWaalsContact O-N 3.14Å; Y42-I46 WeakPolarHBondContact O-CG1 3.5Å; Y42-I46 PolarHBondContact O-N 3.44Å; Y42-L87 HydrophobicContact CD1-CD1 3.89Å; Y42-L87 HydrophobicContact CD1-CD2 4.07Å; Y42-L87 HydrophobicContact CD1-CG 4.25Å; Y42-L87 HydrophobicContact CD2-CD1 4.49Å; Y42-L87 HydrophobicContact CE1-CD1 4.22Å; Y42-L87 HydrophobicContact CG-CD1 4.06Å; Y42-L87 HydrophobicContact CG-CD2 4.22Å; Y42-L87 HydrophobicContact CG-CG 4.12Å; Y42-I91 HydrophobicContact CD2-CG1 3.92Å; Y42-I91 HydrophobicContact CG-CG1 4.27Å; Y42-I94 HydrophobicContact CD2-CD1 4.29Å; Y42-I94 HydrophobicContact CE2-CD1 3.62Å; Y42-S290 WeakPolarHBondContact CE1-OG 3.17Å; Y42-S290 VanDerWaalsContact CZ-OG 3.32Å; Y42-S290 PolarHBondContact OH-OG 3.23Å; Y42-F293 HydrophobicContact CD1-CD2 4.24Å; Y42-F293 HydrophobicContact CE1-CB 4.2Å; Y42-F293 AromaticContact CE1-CD2 3.48Å; Y42-F293 HydrophobicContact CE1-CD2 3.48Å; Y42-F293 VanDerWaalsContact CE1-CD2 3.48Å; Y42-F293 HydrophobicContact CE1-CE2 4.33Å; Y42-F293 HydrophobicContact CE1-CG 4.28Å; Y42-F293 AromaticContact CZ-CD2 3.94Å |
| 43 | I | 95.5 | Very high | 91.4 | Very high | 86 Ų | 86 | 45.3 Ų | 45.3 | 44% | 0.441 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.8 | -67.1 | 171.1 | 0 | 0 | 0 | 110.3 | I39 C45 I46 T47 I91 | I39-I43 HydrophobicContact CG2-CD1 3.73Å; I39-I43 HydrophobicContact CG2-CG1 4.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.31Å; I39-I43 PolarHBondContact O-N 2.87Å; I43-C45 VanDerWaalsContact C-N 3.31Å; I43-C45 PolarHBondContact O-N 3.13Å; I43-I46 PolarHBondContact O-N 2.95Å; I43-T47 HydrophobicContact CG2-CG2 4.45Å; I43-T47 WeakPolarHBondContact O-CG2 3.24Å; I43-T47 PolarHBondContact O-N 3.18Å; I43-T47 PolarHBondContact O-OG1 2.94Å; I43-I91 HydrophobicContact CG1-CD1 3.89Å |
| 44 | T | 93.1 | Very high | 91.8 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 111 | V40 I41 Y42 I46 T47 L48 F294 | V40-T44 WeakPolarHBondContact O-CB 3.39Å; V40-T44 PolarHBondContact O-N 3.48Å; V40-T44 PolarHBondContact O-OG1 3.3Å; I41-T44 CarbonylContact O-C 3.55Å; I41-T44 WeakPolarHBondContact O-CB 3.21Å; I41-T44 PolarHBondContact O-N 2.9Å; Y42-T44 VanDerWaalsContact C-N 3.29Å; Y42-T44 PolarHBondContact O-N 2.87Å; T44-I46 VanDerWaalsContact C-N 3.35Å; T44-I46 PolarHBondContact O-N 2.89Å; T44-T47 WeakPolarHBondContact CA-OG1 3.48Å; T44-T47 PolarHBondContact O-OG1 3.08Å; T44-L48 HydrophobicContact CG2-CD1 3.66Å; T44-L48 HydrophobicContact CG2-CG 4.17Å; T44-L48 VanDerWaalsContact O-CB 3.3Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 WeakPolarHBondContact O-CG 3.35Å; T44-L48 PolarHBondContact O-N 2.9Å; T44-F294 HydrophobicContact CG2-CE2 4.01Å |
| 45 | C | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 175.3 | -65.4 | 0 | 0 | 0 | 0 | 112 | I41 Y42 I43 G49 L87 F294 C297 | I41-C45 PolarHBondContact O-N 2.87Å; I41-C45 PolarHBondContact O-SG 3.2Å; Y42-C45 WeakPolarHBondContact O-CB 3.43Å; Y42-C45 PolarHBondContact O-N 2.89Å; Y42-C45 VanDerWaalsContact O-N 3.14Å; I43-C45 VanDerWaalsContact C-N 3.31Å; I43-C45 PolarHBondContact O-N 3.13Å; C45-G49 WeakPolarHBondContact O-CA 3.18Å; C45-G49 PolarHBondContact O-N 2.68Å; C45-L87 HydrophobicContact CB-CD2 3.47Å; C45-L87 VanDerWaalsContact CB-CD2 3.47Å; C45-F294 WeakPolarHBondContact SG-CA 3.46Å; C45-C297 HydrophobicContact CB-CB 4.42Å; C45-C297 VanDerWaalsContact SG-SG 3.61Å |
| 46 | I | 95.3 | Very high | 92 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -54.8 | 177.9 | -68 | 162.7 | 0 | 0 | 0 | 110.9 | Y42 I43 T44 L50 V84 L87 P88 I91 | Y42-I46 WeakPolarHBondContact O-CG1 3.5Å; Y42-I46 PolarHBondContact O-N 3.44Å; I43-I46 PolarHBondContact O-N 2.95Å; T44-I46 VanDerWaalsContact C-N 3.35Å; T44-I46 PolarHBondContact O-N 2.89Å; I46-L50 HydrophobicContact CG2-CD1 3.74Å; I46-L50 HydrophobicContact CG2-CG 4.34Å; I46-L50 VanDerWaalsContact O-CB 3.31Å; I46-L50 WeakPolarHBondContact O-CB 3.19Å; I46-L50 WeakPolarHBondContact O-CG 3.42Å; I46-L50 PolarHBondContact O-N 3.42Å; I46-V84 VanDerWaalsContact CA-CG1 3.5Å; I46-V84 HydrophobicContact CB-CG1 4.29Å; I46-V84 HydrophobicContact CG1-CG1 4.16Å; I46-L87 HydrophobicContact CD1-CB 4.24Å; I46-L87 HydrophobicContact CG1-CB 4.04Å; I46-L87 HydrophobicContact CG1-CD2 4.16Å; I46-L87 HydrophobicContact CG1-CG 4.41Å; I46-P88 HydrophobicContact CD1-CG 3.88Å; I46-I91 HydrophobicContact CD1-CD1 3.46Å; I46-I91 VanDerWaalsContact CD1-CD1 3.46Å |
| 47 | T | 92.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 39.3 Ų | 39.3 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -53 | -176.6 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | I43 T44 I51 | I43-T47 HydrophobicContact CG2-CG2 4.45Å; I43-T47 WeakPolarHBondContact O-CG2 3.24Å; I43-T47 PolarHBondContact O-N 3.18Å; I43-T47 PolarHBondContact O-OG1 2.94Å; T44-T47 WeakPolarHBondContact CA-OG1 3.48Å; T44-T47 PolarHBondContact O-OG1 3.08Å; T47-I51 WeakPolarHBondContact O-CB 3.44Å; T47-I51 WeakPolarHBondContact O-CD1 3.32Å; T47-I51 VanDerWaalsContact O-CG1 3.24Å; T47-I51 WeakPolarHBondContact O-CG1 3.3Å; T47-I51 PolarHBondContact O-N 3.13Å |
| 48 | L | 91.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 42 Ų | 42 | 29% | 0.293 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -73.7 | -35.6 | -178 | -63.3 | -176.1 | 0 | 0 | 0 | 112.7 | T44 G52 C297 L301 | T44-L48 HydrophobicContact CG2-CD1 3.66Å; T44-L48 HydrophobicContact CG2-CG 4.17Å; T44-L48 VanDerWaalsContact O-CB 3.3Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 WeakPolarHBondContact O-CG 3.35Å; T44-L48 PolarHBondContact O-N 2.9Å; L48-G52 VanDerWaalsContact O-CA 3.29Å; L48-G52 WeakPolarHBondContact O-CA 3.45Å; L48-G52 PolarHBondContact O-N 2.83Å; L48-C297 HydrophobicContact CB-CB 3.84Å; L48-L301 HydrophobicContact CD1-CD1 3.95Å; L48-L301 HydrophobicContact CD1-CD2 4.41Å; L48-L301 HydrophobicContact CD1-CG 4.4Å |
| 49 | G | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.7 | -45.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C45 N53 | C45-G49 WeakPolarHBondContact O-CA 3.18Å; C45-G49 PolarHBondContact O-N 2.68Å; G49-N53 WeakPolarHBondContact O-CB 3.29Å; G49-N53 PolarHBondContact O-N 2.76Å; G49-N53 PolarHBondContact O-ND2 3.4Å; G49-N53 VanDerWaalsContact O-ND2 3.11Å |
| 50 | L | 93.8 | Very high | 90.9 | Very high | 57 Ų | 57 | 42 Ų | 42 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -48.7 | 178.1 | -67.8 | 178.7 | 0 | 0 | 0 | 111.6 | I46 G54 F81 V84 L85 | I46-L50 HydrophobicContact CG2-CD1 3.74Å; I46-L50 HydrophobicContact CG2-CG 4.34Å; I46-L50 VanDerWaalsContact O-CB 3.31Å; I46-L50 WeakPolarHBondContact O-CB 3.19Å; I46-L50 WeakPolarHBondContact O-CG 3.42Å; I46-L50 PolarHBondContact O-N 3.42Å; L50-G54 WeakPolarHBondContact O-CA 3.31Å; L50-G54 PolarHBondContact O-N 2.89Å; L50-F81 HydrophobicContact CB-CE2 4.5Å; L50-F81 HydrophobicContact CD2-CD2 4.19Å; L50-F81 HydrophobicContact CD2-CE2 3.76Å; L50-F81 HydrophobicContact CD2-CZ 4.07Å; L50-V84 HydrophobicContact CD2-CG1 3.94Å; L50-V84 HydrophobicContact CG-CG1 3.86Å; L50-L85 HydrophobicContact CD2-CD2 3.64Å; L50-L85 HydrophobicContact CD2-CG 4.19Å |
| 51 | I | 89.8 | Confident | 90.3 | Very high | 129 Ų | 129 | 38.9 Ų | 38.9 | 66% | 0.662 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.9 | -50.8 | -179.4 | -62.6 | 170.4 | 0 | 0 | 0 | 110.1 | T47 A55 | T47-I51 WeakPolarHBondContact O-CB 3.44Å; T47-I51 WeakPolarHBondContact O-CD1 3.32Å; T47-I51 VanDerWaalsContact O-CG1 3.24Å; T47-I51 WeakPolarHBondContact O-CG1 3.3Å; T47-I51 PolarHBondContact O-N 3.13Å; I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.03Å |
| 52 | G | 88.9 | Confident | 89.5 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.7 | -52.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L48 A55 V56 P300 | L48-G52 VanDerWaalsContact O-CA 3.29Å; L48-G52 WeakPolarHBondContact O-CA 3.45Å; L48-G52 PolarHBondContact O-N 2.83Å; G52-A55 PolarHBondContact O-N 3.25Å; G52-V56 WeakPolarHBondContact O-CG2 3.4Å; G52-V56 PolarHBondContact O-N 3.12Å; G52-P300 VanDerWaalsContact C-CG 3.41Å; G52-P300 VanDerWaalsContact CA-CB 3.41Å |
| 53 | N | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.7 | -36 | 179.6 | -63.5 | -55.3 | 0 | 0 | 0 | 111.1 | G49 A55 V56 I57 A77 D80 F81 S296 P300 | G49-N53 WeakPolarHBondContact O-CB 3.29Å; G49-N53 PolarHBondContact O-N 2.76Å; G49-N53 PolarHBondContact O-ND2 3.4Å; G49-N53 VanDerWaalsContact O-ND2 3.11Å; N53-A55 VanDerWaalsContact C-N 3.32Å; N53-A55 PolarHBondContact O-N 3.47Å; N53-V56 PolarHBondContact O-N 3.01Å; N53-V56 VanDerWaalsContact O-N 3.16Å; N53-I57 VanDerWaalsContact O-CG1 3.25Å; N53-I57 WeakPolarHBondContact O-CG1 3.12Å; N53-I57 PolarHBondContact O-N 3.02Å; N53-A77 HydrophobicContact CB-CB 4.28Å; N53-D80 WeakPolarHBondContact ND2-CB 3.45Å; N53-F81 HydrophobicContact CB-CB 4.01Å; N53-F81 HydrophobicContact CB-CD2 4.32Å; N53-S296 PolarHBondContact ND2-O 3.23Å; N53-P300 HydrophobicContact CB-CG 4.46Å; N53-P300 WeakPolarHBondContact OD1-CD 3.27Å; N53-P300 WeakPolarHBondContact OD1-CG 3.46Å |
| 54 | G | 91.4 | Very high | 87.1 | Confident | 24 Ų | 24 | 48.2 Ų | 48.2 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L50 I57 W58 | L50-G54 WeakPolarHBondContact O-CA 3.31Å; L50-G54 PolarHBondContact O-N 2.89Å; G54-I57 PolarHBondContact O-N 2.84Å; G54-W58 WeakPolarHBondContact O-CB 3.49Å; G54-W58 PolarHBondContact O-N 2.84Å |
| 55 | A | 86.6 | Confident | 86.3 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | I51 G52 N53 W58 V59 L314 | I51-A55 WeakPolarHBondContact O-CB 3.46Å; I51-A55 PolarHBondContact O-N 3.03Å; G52-A55 PolarHBondContact O-N 3.25Å; N53-A55 VanDerWaalsContact C-N 3.32Å; N53-A55 PolarHBondContact O-N 3.47Å; A55-W58 PolarHBondContact O-N 3.32Å; A55-V59 WeakPolarHBondContact O-CB 3.32Å; A55-V59 VanDerWaalsContact O-CG2 3.31Å; A55-V59 WeakPolarHBondContact O-CG2 3.46Å; A55-V59 PolarHBondContact O-N 3.45Å; A55-L314 HydrophobicContact CB-CD1 4.4Å; A55-L314 HydrophobicContact CB-CD2 3.79Å |
| 56 | V | 86.6 | Confident | 85.7 | Confident | 15 Ų | 15 | 59.8 Ų | 59.8 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | G52 N53 W58 V59 T60 A77 Y303 | G52-V56 WeakPolarHBondContact O-CG2 3.4Å; G52-V56 PolarHBondContact O-N 3.12Å; N53-V56 PolarHBondContact O-N 3.01Å; N53-V56 VanDerWaalsContact O-N 3.16Å; V56-W58 VanDerWaalsContact C-N 3.33Å; V56-W58 PolarHBondContact O-N 3.17Å; V56-V59 PolarHBondContact O-N 3.43Å; V56-T60 HydrophobicContact CG1-CG2 4.18Å; V56-T60 WeakPolarHBondContact O-CB 3.37Å; V56-T60 WeakPolarHBondContact O-CG2 3.36Å; V56-T60 PolarHBondContact O-N 3.14Å; V56-T60 PolarHBondContact O-OG1 3.08Å; V56-A77 HydrophobicContact CB-CB 3.92Å; V56-A77 HydrophobicContact CG1-CB 3.62Å; V56-Y303 HydrophobicContact CG2-CD2 3.67Å; V56-Y303 HydrophobicContact CG2-CE2 4.17Å |
| 57 | I | 90.9 | Very high | 85.3 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 176 | -68.4 | 164.9 | 0 | 0 | 0 | 109.9 | N53 G54 G61 L74 A77 I78 F81 | N53-I57 VanDerWaalsContact O-CG1 3.25Å; N53-I57 WeakPolarHBondContact O-CG1 3.12Å; N53-I57 PolarHBondContact O-N 3.02Å; G54-I57 PolarHBondContact O-N 2.84Å; I57-G61 WeakPolarHBondContact O-CA 3.3Å; I57-G61 PolarHBondContact O-N 3.15Å; I57-L74 HydrophobicContact CB-CD1 4.24Å; I57-L74 HydrophobicContact CG1-CD1 4.14Å; I57-L74 HydrophobicContact CG2-CD1 4.06Å; I57-A77 HydrophobicContact CD1-CB 4.49Å; I57-A77 HydrophobicContact CG1-CB 3.87Å; I57-I78 HydrophobicContact CD1-CG1 4.05Å; I57-I78 HydrophobicContact CG1-CG1 4.11Å; I57-F81 HydrophobicContact CD1-CB 3.83Å; I57-F81 HydrophobicContact CD1-CD2 4.35Å; I57-F81 HydrophobicContact CD1-CG 4Å |
| 58 | W | 86.1 | Confident | 85.1 | Confident | 141 Ų | 141 | 58.7 Ų | 58.7 | 53% | 0.534 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 178.3 | 178.5 | -106.4 | 0 | 0 | 0 | 112.6 | G54 A55 V56 F62 | G54-W58 WeakPolarHBondContact O-CB 3.49Å; G54-W58 PolarHBondContact O-N 2.84Å; A55-W58 PolarHBondContact O-N 3.32Å; V56-W58 VanDerWaalsContact C-N 3.33Å; V56-W58 PolarHBondContact O-N 3.17Å; W58-F62 HydrophobicContact CD2-CD2 4.06Å; W58-F62 AromaticContact CE3-CD2 3.46Å; W58-F62 HydrophobicContact CE3-CD2 3.46Å; W58-F62 VanDerWaalsContact CE3-CD2 3.46Å; W58-F62 AromaticContact CE3-CE2 3.86Å; W58-F62 HydrophobicContact CE3-CE2 3.86Å; W58-F62 HydrophobicContact CE3-CG 4.26Å; W58-F62 AromaticContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CE2 4.13Å; W58-F62 HydrophobicContact CZ3-CG 4.3Å; W58-F62 PolarHBondContact O-N 3.32Å |
| 59 | V | 80.9 | Confident | 84.7 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 9% | 0.085 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -67.6 | -45.9 | -176.8 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | A55 V56 K63 S64 I313 | A55-V59 WeakPolarHBondContact O-CB 3.32Å; A55-V59 VanDerWaalsContact O-CG2 3.31Å; A55-V59 WeakPolarHBondContact O-CG2 3.46Å; A55-V59 PolarHBondContact O-N 3.45Å; V56-V59 PolarHBondContact O-N 3.43Å; V59-K63 CarbonylContact O-C 3.59Å; V59-K63 PolarHBondContact O-N 2.93Å; V59-K63 VanDerWaalsContact O-N 3.13Å; V59-S64 WeakPolarHBondContact O-CB 3.45Å; V59-S64 PolarHBondContact O-N 2.89Å; V59-I313 HydrophobicContact CG1-CD1 4.27Å; V59-I313 HydrophobicContact CG1-CG2 4.34Å; V59-I313 HydrophobicContact CG2-CG2 3.85Å |
| 60 | T | 82.2 | Confident | 84.3 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.08 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -76.2 | -28.5 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | V56 K66 L74 | V56-T60 HydrophobicContact CG1-CG2 4.18Å; V56-T60 WeakPolarHBondContact O-CB 3.37Å; V56-T60 WeakPolarHBondContact O-CG2 3.36Å; V56-T60 PolarHBondContact O-N 3.14Å; V56-T60 PolarHBondContact O-OG1 3.08Å; T60-K66 PolarHBondContact O-NZ 2.96Å; T60-L74 WeakPolarHBondContact OG1-CD1 3.41Å |
| 61 | G | 81.4 | Confident | 84.2 | Confident | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -72.9 | -48.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I57 K66 | I57-G61 WeakPolarHBondContact O-CA 3.3Å; I57-G61 PolarHBondContact O-N 3.15Å; G61-K66 VanDerWaalsContact C-NZ 3.3Å; G61-K66 VanDerWaalsContact CA-NZ 3.31Å; G61-K66 WeakPolarHBondContact O-CE 3.42Å; G61-K66 PolarHBondContact O-NZ 3.35Å |
| 62 | F | 76.6 | Confident | 84.2 | Confident | 150 Ų | 150 | 49.4 Ų | 49.4 | 66% | 0.658 | 25% | 0.249 | S | C | * | . | I | π-helix | trans | -125.1 | -23.5 | -164.7 | -57.3 | -79 | 0 | 0 | 0 | 115 | W58 | W58-F62 HydrophobicContact CD2-CD2 4.06Å; W58-F62 AromaticContact CE3-CD2 3.46Å; W58-F62 HydrophobicContact CE3-CD2 3.46Å; W58-F62 VanDerWaalsContact CE3-CD2 3.46Å; W58-F62 AromaticContact CE3-CE2 3.86Å; W58-F62 HydrophobicContact CE3-CE2 3.86Å; W58-F62 HydrophobicContact CE3-CG 4.26Å; W58-F62 AromaticContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CD2 3.83Å; W58-F62 HydrophobicContact CZ3-CE2 4.13Å; W58-F62 HydrophobicContact CZ3-CG 4.3Å; W58-F62 PolarHBondContact O-N 3.32Å |
| 63 | K | 71.3 | Confident | 84.2 | Confident | 146 Ų | 146 | 49.9 Ų | 49.9 | 64% | 0.635 | 25% | 0.247 | S | C | * | . | I | π-helix | trans | -109.7 | -21.2 | -171 | -64.1 | -66.2 | -174.7 | 179.3 | 0 | 115 | V59 | V59-K63 CarbonylContact O-C 3.59Å; V59-K63 PolarHBondContact O-N 2.93Å; V59-K63 VanDerWaalsContact O-N 3.13Å |
| 64 | S | 69.7 | Low | 84.2 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -103.7 | 148.1 | -179.2 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | V59 K66 | V59-S64 WeakPolarHBondContact O-CB 3.45Å; V59-S64 PolarHBondContact O-N 2.89Å; S64-K66 PolarHBondContact O-N 2.81Å |
| 65 | K | 75.9 | Confident | 84.4 | Confident | 184 Ų | 184 | 49.8 Ų | 49.8 | 80% | 0.8 | 24% | 0.241 | S | C | * | . | trans | -53.6 | 135.7 | 164.7 | -66.6 | -172.3 | 179.3 | -174.5 | 0 | 109.4 | T67 | K65-T67 PolarHBondContact O-N 3.31Š| ||
| 66 | K | 82.1 | Confident | 84.7 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | trans | -70.3 | 112.8 | 177.1 | -59 | -61.6 | -178.9 | 175.6 | 0 | 109.1 | T60 G61 S64 | T60-K66 PolarHBondContact O-NZ 2.96Å; G61-K66 VanDerWaalsContact C-NZ 3.3Å; G61-K66 VanDerWaalsContact CA-NZ 3.31Å; G61-K66 WeakPolarHBondContact O-CE 3.42Å; G61-K66 PolarHBondContact O-NZ 3.35Å; S64-K66 PolarHBondContact O-N 2.81Å | ||
| 67 | T | 86.6 | Confident | 85 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | trans | -124 | 158.4 | 175 | 64.4 | 0 | 0 | 0 | 0 | 109 | K65 N69 S70 V71 | K65-T67 PolarHBondContact O-N 3.31Å; T67-N69 PolarHBondContact O-N 2.91Å; T67-S70 PolarHBondContact N-OG 3.29Å; T67-S70 PolarHBondContact O-N 2.9Å; T67-S70 PolarHBondContact O-OG 3.36Å; T67-S70 PolarHBondContact OG1-N 3.31Å; T67-S70 PolarHBondContact OG1-OG 2.87Å; T67-S70 VanDerWaalsContact OG1-OG 3.11Å; T67-V71 PolarHBondContact O-N 3.47Å; T67-V71 VanDerWaalsContact O-N 3.13Å | ||
| 68 | V | 88.1 | Confident | 85.3 | Confident | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.8 | -42.6 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | S70 V71 W72 R146 T147 A151 | V68-S70 PolarHBondContact O-N 3.09Å; V68-V71 WeakPolarHBondContact O-CB 3.21Å; V68-V71 PolarHBondContact O-N 2.91Å; V68-V71 VanDerWaalsContact O-N 3.11Å; V68-W72 HydrophobicContact CG1-CZ2 3.58Å; V68-W72 VanDerWaalsContact O-CD1 3.31Å; V68-W72 PolarHBondContact O-N 2.84Å; V68-R146 HydrophobicContact CB-CG 4.23Å; V68-R146 HydrophobicContact CG1-CG 4.14Å; V68-R146 HydrophobicContact CG2-CG 3.87Å; V68-T147 WeakPolarHBondContact CG2-O 3.38Å; V68-A151 HydrophobicContact CB-CB 4.4Å; V68-A151 HydrophobicContact CG1-CB 4.01Å; V68-A151 HydrophobicContact CG2-CB 4.19Å |
| 69 | N | 84 | Confident | 85.8 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -37.5 | 177.6 | -66.8 | -4.4 | 0 | 0 | 0 | 113.7 | T67 V71 W72 L73 D131 R132 R146 F243 | T67-N69 PolarHBondContact O-N 2.91Å; N69-V71 VanDerWaalsContact C-N 3.26Å; N69-V71 PolarHBondContact O-N 2.87Å; N69-W72 PolarHBondContact O-N 3.38Å; N69-L73 WeakPolarHBondContact O-CG 3.45Å; N69-L73 PolarHBondContact O-N 3.37Å; N69-L73 VanDerWaalsContact O-N 3.14Å; N69-D131 PolarHBondContact OD1-OD2 2.91Å; N69-R132 VanDerWaalsContact ND2-CZ 3.28Å; N69-R132 PolarHBondContact ND2-NH1 3.49Å; N69-R132 PolarHBondContact ND2-NH2 2.87Å; N69-R132 PolarHBondContact OD1-NH2 3.33Å; N69-R146 PolarHBondContact OD1-NH2 3.39Å; N69-F243 HydrophobicContact CB-CE1 4.08Å; N69-F243 HydrophobicContact CB-CZ 3.79Å; N69-F243 VanDerWaalsContact ND2-CE1 3.35Å; N69-F243 WeakPolarHBondContact ND2-CE1 3.27Å |
| 70 | S | 85.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.6 | -26.1 | 176.2 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | T67 V68 L74 | T67-S70 PolarHBondContact N-OG 3.29Å; T67-S70 PolarHBondContact O-N 2.9Å; T67-S70 PolarHBondContact O-OG 3.36Å; T67-S70 PolarHBondContact OG1-N 3.31Å; T67-S70 PolarHBondContact OG1-OG 2.87Å; T67-S70 VanDerWaalsContact OG1-OG 3.11Å; V68-S70 PolarHBondContact O-N 3.09Å; S70-L74 WeakPolarHBondContact O-CB 3.35Å; S70-L74 PolarHBondContact O-N 3.28Å |
| 71 | V | 91.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.1 | -44.8 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | T67 V68 N69 L74 N75 V148 A151 W152 C155 | T67-V71 PolarHBondContact O-N 3.47Å; T67-V71 VanDerWaalsContact O-N 3.13Å; V68-V71 WeakPolarHBondContact O-CB 3.21Å; V68-V71 PolarHBondContact O-N 2.91Å; V68-V71 VanDerWaalsContact O-N 3.11Å; N69-V71 VanDerWaalsContact C-N 3.26Å; N69-V71 PolarHBondContact O-N 2.87Å; V71-L74 PolarHBondContact O-N 3.37Å; V71-N75 PolarHBondContact O-N 2.86Å; V71-N75 VanDerWaalsContact O-N 3.09Å; V71-N75 PolarHBondContact O-ND2 2.68Å; V71-V148 HydrophobicContact CG2-CG1 4.07Å; V71-A151 HydrophobicContact CB-CB 4.27Å; V71-A151 HydrophobicContact CG1-CB 4.13Å; V71-W152 HydrophobicContact CG1-CD2 3.93Å; V71-W152 HydrophobicContact CG1-CE3 4.23Å; V71-W152 HydrophobicContact CG1-CG 4.3Å; V71-W152 HydrophobicContact CG1-CZ2 4.37Å; V71-W152 HydrophobicContact CG2-CZ2 4.48Å; V71-C155 VanDerWaalsContact CG1-SG 3.57Å |
| 72 | W | 89.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 174.8 | -49.3 | 140.5 | 0 | 0 | 0 | 112 | V68 N69 L74 N75 L76 V127 L128 A151 V154 C155 | V68-W72 HydrophobicContact CG1-CZ2 3.58Å; V68-W72 VanDerWaalsContact O-CD1 3.31Å; V68-W72 PolarHBondContact O-N 2.84Å; N69-W72 PolarHBondContact O-N 3.38Å; W72-L74 VanDerWaalsContact C-N 3.35Å; W72-L74 PolarHBondContact O-N 2.68Å; W72-N75 PolarHBondContact O-N 2.9Å; W72-L76 WeakPolarHBondContact O-CB 3.46Å; W72-L76 PolarHBondContact O-N 2.94Å; W72-V127 HydrophobicContact CD2-CG1 4.15Å; W72-V127 HydrophobicContact CE3-CG1 4.18Å; W72-V127 HydrophobicContact CH2-CG1 3.87Å; W72-V127 HydrophobicContact CZ2-CG1 3.84Å; W72-V127 HydrophobicContact CZ3-CG1 4.05Å; W72-L128 HydrophobicContact CB-CD1 4.16Å; W72-L128 HydrophobicContact CG-CD1 4.34Å; W72-A151 HydrophobicContact CH2-CB 3.64Å; W72-A151 HydrophobicContact CZ2-CB 3.8Å; W72-A151 HydrophobicContact CZ3-CB 4.12Å; W72-A151 VanDerWaalsContact CZ3-O 3.3Å; W72-A151 WeakPolarHBondContact CZ3-O 3.37Å; W72-V154 HydrophobicContact CH2-CB 3.72Å; W72-V154 HydrophobicContact CH2-CG1 3.68Å; W72-V154 HydrophobicContact CH2-CG2 4.4Å; W72-V154 HydrophobicContact CZ3-CB 3.95Å; W72-V154 HydrophobicContact CZ3-CG1 3.77Å; W72-C155 VanDerWaalsContact CE3-SG 3.57Å; W72-C155 VanDerWaalsContact CZ3-SG 3.52Å |
| 73 | L | 88.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 179 | -73.4 | -178.5 | 0 | 0 | 0 | 112.8 | N69 A77 L128 F243 Y303 | N69-L73 WeakPolarHBondContact O-CG 3.45Å; N69-L73 PolarHBondContact O-N 3.37Å; N69-L73 VanDerWaalsContact O-N 3.14Å; L73-A77 WeakPolarHBondContact O-CB 3.27Å; L73-A77 PolarHBondContact O-N 3.4Å; L73-L128 HydrophobicContact CD2-CD2 4.42Å; L73-F243 HydrophobicContact CD1-CE2 3.71Å; L73-F243 HydrophobicContact CD1-CZ 4.37Å; L73-F243 HydrophobicContact CG-CE2 4.34Å; L73-Y303 HydrophobicContact CD2-CE1 3.85Å; L73-Y303 HydrophobicContact CD2-CE2 4.49Å |
| 74 | L | 91.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 177.9 | 173.7 | 61.3 | 0 | 0 | 0 | 110.7 | I57 T60 S70 V71 W72 A77 I78 W152 | I57-L74 HydrophobicContact CB-CD1 4.24Å; I57-L74 HydrophobicContact CG1-CD1 4.14Å; I57-L74 HydrophobicContact CG2-CD1 4.06Å; T60-L74 WeakPolarHBondContact OG1-CD1 3.41Å; S70-L74 WeakPolarHBondContact O-CB 3.35Å; S70-L74 PolarHBondContact O-N 3.28Å; V71-L74 PolarHBondContact O-N 3.37Å; W72-L74 VanDerWaalsContact C-N 3.35Å; W72-L74 PolarHBondContact O-N 2.68Å; L74-A77 PolarHBondContact O-N 3.04Å; L74-I78 HydrophobicContact CD1-CD1 3.94Å; L74-I78 HydrophobicContact CD1-CG1 4.26Å; L74-I78 HydrophobicContact CG-CD1 3.91Å; L74-I78 VanDerWaalsContact O-CG1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.28Å; L74-I78 PolarHBondContact O-N 2.92Å; L74-W152 HydrophobicContact CD2-CH2 3.92Å; L74-W152 HydrophobicContact CD2-CZ2 4.15Å |
| 75 | N | 95.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -37.3 | -179 | -77.3 | -92.7 | 0 | 0 | 0 | 112.5 | V71 W72 I78 A79 F124 W152 C155 W159 | V71-N75 PolarHBondContact O-N 2.86Å; V71-N75 VanDerWaalsContact O-N 3.09Å; V71-N75 PolarHBondContact O-ND2 2.68Å; W72-N75 PolarHBondContact O-N 2.9Å; N75-I78 PolarHBondContact O-N 3.29Å; N75-A79 PolarHBondContact O-N 2.89Å; N75-F124 HydrophobicContact CB-CD1 4.3Å; N75-F124 HydrophobicContact CB-CD2 4.35Å; N75-F124 HydrophobicContact CB-CE1 3.67Å; N75-F124 HydrophobicContact CB-CE2 3.71Å; N75-F124 HydrophobicContact CB-CZ 3.35Å; N75-W152 WeakPolarHBondContact ND2-CZ3 3.35Å; N75-C155 PolarHBondContact ND2-SG 2.97Å; N75-W159 PolarHBondContact OD1-NE1 3.11Å |
| 76 | L | 93.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 172.4 | -178.1 | 61.7 | 0 | 0 | 0 | 111.2 | W72 I78 A79 D80 S121 F124 L125 Y303 | W72-L76 WeakPolarHBondContact O-CB 3.46Å; W72-L76 PolarHBondContact O-N 2.94Å; L76-I78 VanDerWaalsContact C-N 3.31Å; L76-I78 PolarHBondContact O-N 3.34Å; L76-A79 PolarHBondContact O-N 3.11Å; L76-D80 PolarHBondContact O-N 3.13Å; L76-S121 WeakPolarHBondContact CD1-OG 3.45Å; L76-F124 HydrophobicContact CB-CB 4.36Å; L76-F124 HydrophobicContact CD1-CB 4.32Å; L76-L125 HydrophobicContact CD2-CD2 3.88Å; L76-L125 HydrophobicContact CD2-CG 4.46Å; L76-Y303 WeakPolarHBondContact CD2-OH 3.2Å |
| 77 | A | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N53 V56 I57 L73 L74 F81 | N53-A77 HydrophobicContact CB-CB 4.28Å; V56-A77 HydrophobicContact CB-CB 3.92Å; V56-A77 HydrophobicContact CG1-CB 3.62Å; I57-A77 HydrophobicContact CD1-CB 4.49Å; I57-A77 HydrophobicContact CG1-CB 3.87Å; L73-A77 WeakPolarHBondContact O-CB 3.27Å; L73-A77 PolarHBondContact O-N 3.4Å; L74-A77 PolarHBondContact O-N 3.04Å; A77-F81 WeakPolarHBondContact O-CB 3.46Å; A77-F81 PolarHBondContact O-N 3.22Å |
| 78 | I | 96.5 | Very high | 93.6 | Very high | 57 Ų | 57 | 22.2 Ų | 22.2 | 29% | 0.292 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.7 | -45.4 | 173.6 | -71.3 | 165.4 | 0 | 0 | 0 | 110.7 | I57 L74 N75 L76 F81 V82 W159 | I57-I78 HydrophobicContact CD1-CG1 4.05Å; I57-I78 HydrophobicContact CG1-CG1 4.11Å; L74-I78 HydrophobicContact CD1-CD1 3.94Å; L74-I78 HydrophobicContact CD1-CG1 4.26Å; L74-I78 HydrophobicContact CG-CD1 3.91Å; L74-I78 VanDerWaalsContact O-CG1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.28Å; L74-I78 PolarHBondContact O-N 2.92Å; N75-I78 PolarHBondContact O-N 3.29Å; L76-I78 VanDerWaalsContact C-N 3.31Å; L76-I78 PolarHBondContact O-N 3.34Å; I78-F81 PolarHBondContact O-N 3.23Å; I78-V82 HydrophobicContact CG2-CG2 4.34Å; I78-V82 WeakPolarHBondContact O-CB 3.49Å; I78-V82 VanDerWaalsContact O-CG2 3.3Å; I78-V82 WeakPolarHBondContact O-CG2 3.39Å; I78-V82 PolarHBondContact O-N 3.44Å; I78-W159 HydrophobicContact CG2-CZ2 4.22Å |
| 79 | A | 97.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -50.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N75 L76 F81 V82 F83 N117 A120 W159 | N75-A79 PolarHBondContact O-N 2.89Å; L76-A79 PolarHBondContact O-N 3.11Å; A79-F81 PolarHBondContact O-N 2.84Å; A79-V82 PolarHBondContact O-N 3.45Å; A79-F83 WeakPolarHBondContact O-CB 3.22Å; A79-F83 PolarHBondContact O-N 3.15Å; A79-N117 VanDerWaalsContact C-OD1 3.25Å; A79-N117 PolarHBondContact O-OD1 3.35Å; A79-A120 HydrophobicContact CB-CB 4.17Å; A79-W159 HydrophobicContact CB-CH2 3.71Å; A79-W159 HydrophobicContact CB-CZ2 4.24Å |
| 80 | D | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 179 | -72.7 | -32.8 | 0 | 0 | 0 | 112.1 | N53 L76 V84 N117 S296 N299 | N53-D80 WeakPolarHBondContact ND2-CB 3.45Å; L76-D80 PolarHBondContact O-N 3.13Å; D80-V84 WeakPolarHBondContact O-CB 3.25Å; D80-V84 VanDerWaalsContact O-CG2 3.25Å; D80-V84 WeakPolarHBondContact O-CG2 3.17Å; D80-V84 PolarHBondContact O-N 2.93Å; D80-N117 PolarHBondContact N-OD1 3.34Å; D80-N117 PolarHBondContact OD1-OD1 2.96Å; D80-S296 VanDerWaalsContact OD1-CA 3.3Å; D80-S296 WeakPolarHBondContact OD1-CA 3.48Å; D80-S296 VanDerWaalsContact OD1-CB 3.26Å; D80-S296 WeakPolarHBondContact OD1-CB 3.23Å; D80-S296 PolarHBondContact OD1-OG 2.67Å; D80-N299 PolarHBondContact OD2-ND2 3.24Å |
| 81 | F | 96.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 25.7 Ų | 25.7 | 26% | 0.259 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.5 | -47 | 179 | -174.4 | -91.7 | 0 | 0 | 0 | 111.9 | L50 N53 I57 A77 I78 A79 V84 L85 | L50-F81 HydrophobicContact CB-CE2 4.5Å; L50-F81 HydrophobicContact CD2-CD2 4.19Å; L50-F81 HydrophobicContact CD2-CE2 3.76Å; L50-F81 HydrophobicContact CD2-CZ 4.07Å; N53-F81 HydrophobicContact CB-CB 4.01Å; N53-F81 HydrophobicContact CB-CD2 4.32Å; I57-F81 HydrophobicContact CD1-CB 3.83Å; I57-F81 HydrophobicContact CD1-CD2 4.35Å; I57-F81 HydrophobicContact CD1-CG 4Å; A77-F81 WeakPolarHBondContact O-CB 3.46Å; A77-F81 PolarHBondContact O-N 3.22Å; I78-F81 PolarHBondContact O-N 3.23Å; A79-F81 PolarHBondContact O-N 2.84Å; F81-V84 PolarHBondContact O-N 3.34Å; F81-L85 HydrophobicContact CD1-CD1 4.08Å; F81-L85 HydrophobicContact CE1-CD1 3.79Å; F81-L85 HydrophobicContact CE1-CG 4.3Å; F81-L85 WeakPolarHBondContact O-CG 3.45Å; F81-L85 PolarHBondContact O-N 3.28Å |
| 82 | V | 97.6 | Very high | 94.5 | Very high | 53 Ų | 53 | 27.4 Ų | 27.4 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 110 | I78 A79 V84 L85 F86 V113 | I78-V82 HydrophobicContact CG2-CG2 4.34Å; I78-V82 WeakPolarHBondContact O-CB 3.49Å; I78-V82 VanDerWaalsContact O-CG2 3.3Å; I78-V82 WeakPolarHBondContact O-CG2 3.39Å; I78-V82 PolarHBondContact O-N 3.44Å; A79-V82 PolarHBondContact O-N 3.45Å; V82-V84 VanDerWaalsContact C-N 3.32Å; V82-V84 PolarHBondContact O-N 3.26Å; V82-L85 WeakPolarHBondContact O-CB 3.47Å; V82-L85 PolarHBondContact O-N 2.83Å; V82-F86 HydrophobicContact CG1-CD2 4.49Å; V82-F86 HydrophobicContact CG1-CE2 4.25Å; V82-F86 WeakPolarHBondContact O-CD2 3.5Å; V82-V113 HydrophobicContact CG1-CG1 4.15Å |
| 83 | F | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.2 | -46.1 | 177.8 | 169 | -110.8 | 0 | 0 | 0 | 112.8 | A79 L85 F86 L87 N117 F293 S296 | A79-F83 WeakPolarHBondContact O-CB 3.22Å; A79-F83 PolarHBondContact O-N 3.15Å; F83-L85 PolarHBondContact O-N 3.24Å; F83-F86 WeakPolarHBondContact O-CB 3.35Å; F83-F86 PolarHBondContact O-N 3.01Å; F83-L87 HydrophobicContact CZ-CD1 4.04Å; F83-L87 PolarHBondContact O-N 3.4Å; F83-N117 HydrophobicContact CB-CB 3.76Å; F83-N117 WeakPolarHBondContact CD1-ND2 3.11Å; F83-N117 HydrophobicContact CD2-CB 4.19Å; F83-N117 HydrophobicContact CG-CB 4Å; F83-N117 WeakPolarHBondContact CG-ND2 3.37Å; F83-F293 HydrophobicContact CE1-CB 3.93Å; F83-F293 HydrophobicContact CE1-CD1 4.19Å; F83-F293 HydrophobicContact CE1-CG 4.04Å; F83-F293 HydrophobicContact CE2-CD1 4.13Å; F83-F293 HydrophobicContact CE2-CE1 4.03Å; F83-F293 HydrophobicContact CE2-CE2 4.43Å; F83-F293 HydrophobicContact CE2-CG 4.38Å; F83-F293 HydrophobicContact CE2-CZ 4.19Å; F83-F293 HydrophobicContact CZ-CB 3.8Å; F83-F293 AromaticContact CZ-CD1 3.43Å; F83-F293 HydrophobicContact CZ-CD1 3.43Å; F83-F293 VanDerWaalsContact CZ-CD1 3.43Å; F83-F293 AromaticContact CZ-CD2 3.7Å; F83-F293 HydrophobicContact CZ-CD2 3.7Å; F83-F293 AromaticContact CZ-CE1 3.79Å; F83-F293 HydrophobicContact CZ-CE1 3.79Å; F83-F293 HydrophobicContact CZ-CE2 4.04Å; F83-F293 AromaticContact CZ-CG 3.39Å; F83-F293 HydrophobicContact CZ-CG 3.39Å; F83-F293 HydrophobicContact CZ-CZ 4.08Å; F83-S296 WeakPolarHBondContact CD1-OG 3.34Å |
| 84 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -29.4 | -178.7 | 166.3 | 0 | 0 | 0 | 0 | 112.7 | I46 L50 D80 F81 V82 F86 L87 P88 | I46-V84 VanDerWaalsContact CA-CG1 3.5Å; I46-V84 HydrophobicContact CB-CG1 4.29Å; I46-V84 HydrophobicContact CG1-CG1 4.16Å; L50-V84 HydrophobicContact CD2-CG1 3.94Å; L50-V84 HydrophobicContact CG-CG1 3.86Å; D80-V84 WeakPolarHBondContact O-CB 3.25Å; D80-V84 VanDerWaalsContact O-CG2 3.25Å; D80-V84 WeakPolarHBondContact O-CG2 3.17Å; D80-V84 PolarHBondContact O-N 2.93Å; F81-V84 PolarHBondContact O-N 3.34Å; V82-V84 VanDerWaalsContact C-N 3.32Å; V82-V84 PolarHBondContact O-N 3.26Å; V84-F86 PolarHBondContact O-N 3.49Å; V84-L87 WeakPolarHBondContact O-CB 3.44Å; V84-L87 PolarHBondContact O-N 2.89Å; V84-P88 WeakPolarHBondContact O-CD 3.3Å |
| 85 | L | 96.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 32.8 Ų | 32.8 | 44% | 0.44 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.7 | -23 | 173.2 | -67.3 | 171.9 | 0 | 0 | 0 | 113.4 | L50 F81 V82 F83 P88 | L50-L85 HydrophobicContact CD2-CD2 3.64Å; L50-L85 HydrophobicContact CD2-CG 4.19Å; F81-L85 HydrophobicContact CD1-CD1 4.08Å; F81-L85 HydrophobicContact CE1-CD1 3.79Å; F81-L85 HydrophobicContact CE1-CG 4.3Å; F81-L85 WeakPolarHBondContact O-CG 3.45Å; F81-L85 PolarHBondContact O-N 3.28Å; V82-L85 WeakPolarHBondContact O-CB 3.47Å; V82-L85 PolarHBondContact O-N 2.83Å; F83-L85 PolarHBondContact O-N 3.24Å; L85-P88 WeakPolarHBondContact O-CD 3.25Å |
| 86 | F | 96.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 36.6 Ų | 36.6 | 19% | 0.193 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -92.7 | -12 | 178.1 | -78 | -100.7 | 0 | 0 | 0 | 112.9 | V82 F83 V84 F89 M106 I109 N110 V113 | V82-F86 HydrophobicContact CG1-CD2 4.49Å; V82-F86 HydrophobicContact CG1-CE2 4.25Å; V82-F86 WeakPolarHBondContact O-CD2 3.5Å; F83-F86 WeakPolarHBondContact O-CB 3.35Å; F83-F86 PolarHBondContact O-N 3.01Å; V84-F86 PolarHBondContact O-N 3.49Å; F86-F89 HydrophobicContact CD1-CD2 4.43Å; F86-F89 HydrophobicContact CD1-CE2 4.46Å; F86-F89 WeakPolarHBondContact O-CD2 3.45Å; F86-F89 PolarHBondContact O-N 3.38Å; F86-M106 HydrophobicContact CD1-CE 3.4Å; F86-M106 HydrophobicContact CE1-CE 3.4Å; F86-M106 HydrophobicContact CE1-SD 4.27Å; F86-I109 HydrophobicContact CE1-CG2 3.61Å; F86-I109 HydrophobicContact CZ-CG2 4.07Å; F86-N110 HydrophobicContact CD1-CB 4.47Å; F86-N110 PolarHBondContact O-OD1 2.88Å; F86-V113 HydrophobicContact CB-CG1 4.34Å; F86-V113 HydrophobicContact CD1-CG2 4.36Å; F86-V113 HydrophobicContact CD2-CB 4.41Å; F86-V113 HydrophobicContact CD2-CG1 3.85Å; F86-V113 HydrophobicContact CD2-CG2 4.28Å; F86-V113 HydrophobicContact CE1-CG2 4.17Å; F86-V113 HydrophobicContact CE2-CG1 4.33Å; F86-V113 HydrophobicContact CE2-CG2 4.06Å; F86-V113 HydrophobicContact CG-CB 4.33Å; F86-V113 HydrophobicContact CG-CG1 4.06Å; F86-V113 HydrophobicContact CG-CG2 4.42Å; F86-V113 HydrophobicContact CZ-CG2 4.01Å |
| 87 | L | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -30.4 | 179.6 | -158.8 | 59 | 0 | 0 | 0 | 115.2 | Y42 C45 I46 F83 V84 F89 Y90 I91 F293 | Y42-L87 HydrophobicContact CD1-CD1 3.89Å; Y42-L87 HydrophobicContact CD1-CD2 4.07Å; Y42-L87 HydrophobicContact CD1-CG 4.25Å; Y42-L87 HydrophobicContact CD2-CD1 4.49Å; Y42-L87 HydrophobicContact CE1-CD1 4.22Å; Y42-L87 HydrophobicContact CG-CD1 4.06Å; Y42-L87 HydrophobicContact CG-CD2 4.22Å; Y42-L87 HydrophobicContact CG-CG 4.12Å; C45-L87 HydrophobicContact CB-CD2 3.47Å; C45-L87 VanDerWaalsContact CB-CD2 3.47Å; I46-L87 HydrophobicContact CD1-CB 4.24Å; I46-L87 HydrophobicContact CG1-CB 4.04Å; I46-L87 HydrophobicContact CG1-CD2 4.16Å; I46-L87 HydrophobicContact CG1-CG 4.41Å; F83-L87 HydrophobicContact CZ-CD1 4.04Å; F83-L87 PolarHBondContact O-N 3.4Å; V84-L87 WeakPolarHBondContact O-CB 3.44Å; V84-L87 PolarHBondContact O-N 2.89Å; L87-F89 PolarHBondContact O-N 3.43Å; L87-Y90 HydrophobicContact CD1-CD2 4.38Å; L87-Y90 WeakPolarHBondContact O-CB 3.31Å; L87-Y90 PolarHBondContact O-N 3.01Å; L87-I91 PolarHBondContact O-N 3.33Å; L87-F293 HydrophobicContact CD1-CD2 3.58Å; L87-F293 HydrophobicContact CD1-CE2 4.01Å; L87-F293 HydrophobicContact CD1-CG 4.45Å |
| 88 | P | 96.4 | Very high | 93 | Very high | 59 Ų | 59 | 44 Ų | 44 | 38% | 0.383 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.1 | -32.4 | 173.5 | -27.2 | 35 | 0 | 0 | 0 | 114.2 | I46 V84 L85 Y90 I91 D92 | I46-P88 HydrophobicContact CD1-CG 3.88Å; V84-P88 WeakPolarHBondContact O-CD 3.3Å; L85-P88 WeakPolarHBondContact O-CD 3.25Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 3.03Å; P88-I91 PolarHBondContact O-N 3.13Å; P88-D92 PolarHBondContact O-N 3.26Å |
| 89 | F | 94 | Very high | 92.5 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -32.9 | 177.7 | -60.6 | -81.7 | 0 | 0 | 0 | 112 | F86 L87 Y93 W100 F102 M106 | F86-F89 HydrophobicContact CD1-CD2 4.43Å; F86-F89 HydrophobicContact CD1-CE2 4.46Å; F86-F89 WeakPolarHBondContact O-CD2 3.45Å; F86-F89 PolarHBondContact O-N 3.38Å; L87-F89 PolarHBondContact O-N 3.43Å; F89-Y93 WeakPolarHBondContact O-CB 3.23Å; F89-Y93 PolarHBondContact O-N 2.98Å; F89-Y93 VanDerWaalsContact O-N 3.09Å; F89-W100 HydrophobicContact CB-CH2 4.03Å; F89-W100 HydrophobicContact CB-CZ3 4.26Å; F89-F102 HydrophobicContact CB-CE2 4.38Å; F89-F102 AromaticContact CD1-CD1 3.68Å; F89-F102 HydrophobicContact CD1-CD1 3.68Å; F89-F102 AromaticContact CD1-CD2 3.83Å; F89-F102 HydrophobicContact CD1-CD2 3.83Å; F89-F102 AromaticContact CD1-CE1 3.6Å; F89-F102 HydrophobicContact CD1-CE1 3.6Å; F89-F102 AromaticContact CD1-CE2 3.76Å; F89-F102 HydrophobicContact CD1-CE2 3.76Å; F89-F102 AromaticContact CD1-CG 3.79Å; F89-F102 HydrophobicContact CD1-CG 3.79Å; F89-F102 AromaticContact CD1-CZ 3.65Å; F89-F102 HydrophobicContact CD1-CZ 3.65Å; F89-F102 AromaticContact CE1-CD1 3.73Å; F89-F102 HydrophobicContact CE1-CD1 3.73Å; F89-F102 AromaticContact CE1-CE1 3.73Å; F89-F102 HydrophobicContact CE1-CE1 3.73Å; F89-F102 HydrophobicContact CE1-CG 4.22Å; F89-F102 HydrophobicContact CE1-CZ 4.23Å; F89-M106 HydrophobicContact CD1-CE 3.93Å; F89-M106 HydrophobicContact CD1-CG 4.39Å; F89-M106 HydrophobicContact CD2-CE 3.41Å; F89-M106 VanDerWaalsContact CD2-CE 3.41Å; F89-M106 HydrophobicContact CE1-CE 3.77Å; F89-M106 HydrophobicContact CE1-CG 4.42Å; F89-M106 HydrophobicContact CE2-CE 3.25Å; F89-M106 HydrophobicContact CG-CE 3.77Å; F89-M106 HydrophobicContact CZ-CE 3.45Å; F89-M106 VanDerWaalsContact CZ-CE 3.45Å |
| 90 | Y | 88.6 | Confident | 92.1 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -39.9 | 172 | -87.3 | -82.7 | 0 | 0 | 0 | 112.1 | L87 P88 Y93 I94 N110 F293 | L87-Y90 HydrophobicContact CD1-CD2 4.38Å; L87-Y90 WeakPolarHBondContact O-CB 3.31Å; L87-Y90 PolarHBondContact O-N 3.01Å; P88-Y90 VanDerWaalsContact C-N 3.3Å; P88-Y90 PolarHBondContact O-N 3.03Å; Y90-Y93 WeakPolarHBondContact O-CB 3.17Å; Y90-Y93 PolarHBondContact O-N 3.12Å; Y90-I94 WeakPolarHBondContact O-CG1 3.32Å; Y90-I94 PolarHBondContact O-N 2.89Å; Y90-I94 VanDerWaalsContact O-N 3.08Å; Y90-N110 WeakPolarHBondContact CD2-ND2 3.2Å; Y90-N110 WeakPolarHBondContact CE2-ND2 3.44Å; Y90-F293 HydrophobicContact CD1-CE2 4.47Å; Y90-F293 HydrophobicContact CD2-CE2 4.23Å; Y90-F293 HydrophobicContact CE1-CE2 4.37Å; Y90-F293 HydrophobicContact CE2-CE2 4.11Å; Y90-F293 HydrophobicContact CE2-CZ 4.23Å; Y90-F293 HydrophobicContact CG-CE2 4.4Å |
| 91 | I | 92.4 | Very high | 92 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 176.3 | -64.8 | 172.8 | 0 | 0 | 0 | 110.1 | I39 Y42 I43 I46 L87 P88 Y93 I94 L95 | I39-I91 HydrophobicContact CG2-CG2 4.36Å; Y42-I91 HydrophobicContact CD2-CG1 3.92Å; Y42-I91 HydrophobicContact CG-CG1 4.27Å; I43-I91 HydrophobicContact CG1-CD1 3.89Å; I46-I91 HydrophobicContact CD1-CD1 3.46Å; I46-I91 VanDerWaalsContact CD1-CD1 3.46Å; L87-I91 PolarHBondContact O-N 3.33Å; P88-I91 PolarHBondContact O-N 3.13Å; I91-Y93 VanDerWaalsContact C-N 3.28Å; I91-Y93 PolarHBondContact O-N 3.07Å; I91-I94 PolarHBondContact O-N 3.43Å; I91-L95 HydrophobicContact CG2-CD1 3.67Å; I91-L95 HydrophobicContact CG2-CG 4.09Å; I91-L95 WeakPolarHBondContact O-CB 3.35Å; I91-L95 WeakPolarHBondContact O-CG 3.37Å; I91-L95 PolarHBondContact O-N 3.05Å |
| 92 | D | 93.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.9 | -42.2 | 178.3 | -168.5 | 71.7 | 0 | 0 | 0 | 111.9 | P88 I94 L95 K96 F102 | P88-D92 PolarHBondContact O-N 3.26Å; D92-I94 PolarHBondContact O-N 3.38Å; D92-L95 PolarHBondContact O-N 3.16Å; D92-K96 WeakPolarHBondContact O-CB 3.24Å; D92-K96 WeakPolarHBondContact O-CG 3.48Å; D92-K96 PolarHBondContact O-N 3.35Å; D92-K96 IonicContact OD1-NZ 2.6Å; D92-K96 PolarHBondContact OD1-NZ 3.45Å; D92-K96 IonicContact OD2-NZ 2.75Å; D92-K96 PolarHBondContact OD2-NZ 2.99Å; D92-F102 HydrophobicContact CB-CE2 4.12Å; D92-F102 HydrophobicContact CB-CZ 4.03Å; D92-F102 WeakPolarHBondContact OD2-CE2 3.29Å; D92-F102 WeakPolarHBondContact OD2-CZ 3.37Å |
| 93 | Y | 88.5 | Confident | 91.8 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 14% | 0.137 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 176.2 | -179.7 | -118.2 | 0 | 0 | 0 | 112.1 | F89 Y90 I91 F98 W100 | F89-Y93 WeakPolarHBondContact O-CB 3.23Å; F89-Y93 PolarHBondContact O-N 2.98Å; F89-Y93 VanDerWaalsContact O-N 3.09Å; Y90-Y93 WeakPolarHBondContact O-CB 3.17Å; Y90-Y93 PolarHBondContact O-N 3.12Å; I91-Y93 VanDerWaalsContact C-N 3.28Å; I91-Y93 PolarHBondContact O-N 3.07Å; Y93-F98 AromaticContact CD1-CD1 3.89Å; Y93-F98 HydrophobicContact CD1-CD1 3.89Å; Y93-F98 HydrophobicContact CE1-CB 4.16Å; Y93-F98 AromaticContact CE1-CD1 3.46Å; Y93-F98 HydrophobicContact CE1-CD1 3.46Å; Y93-F98 VanDerWaalsContact CE1-CD1 3.46Å; Y93-F98 HydrophobicContact CE1-CE1 4.34Å; Y93-F98 HydrophobicContact CE1-CG 4.29Å; Y93-F98 HydrophobicContact CE2-CB 4.01Å; Y93-F98 WeakPolarHBondContact CE2-O 3.42Å; Y93-F98 AromaticContact CZ-CD1 3.92Å; Y93-F98 WeakPolarHBondContact O-CA 3.37Å; Y93-F98 PolarHBondContact O-N 3.28Å; Y93-W100 HydrophobicContact CD2-CB 3.98Å; Y93-W100 AromaticContact CD2-CE3 3.94Å; Y93-W100 HydrophobicContact CD2-CE3 3.94Å; Y93-W100 HydrophobicContact CE2-CB 3.99Å; Y93-W100 HydrophobicContact CG-CE3 4.21Å |
| 94 | I | 86.9 | Confident | 91.7 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.087 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.4 | -43 | 178.3 | -63.1 | 172.2 | 0 | 0 | 0 | 111.2 | H35 I39 Y42 Y90 I91 D92 K96 D97 F98 | H35-I94 HydrophobicContact CB-CG2 3.83Å; I39-I94 HydrophobicContact CD1-CB 4.46Å; I39-I94 HydrophobicContact CD1-CG2 3.78Å; I39-I94 HydrophobicContact CG1-CB 4.42Å; I39-I94 HydrophobicContact CG1-CG2 4.03Å; Y42-I94 HydrophobicContact CD2-CD1 4.29Å; Y42-I94 HydrophobicContact CE2-CD1 3.62Å; Y90-I94 WeakPolarHBondContact O-CG1 3.32Å; Y90-I94 PolarHBondContact O-N 2.89Å; Y90-I94 VanDerWaalsContact O-N 3.08Å; I91-I94 PolarHBondContact O-N 3.43Å; D92-I94 PolarHBondContact O-N 3.38Å; I94-K96 PolarHBondContact O-N 2.97Å; I94-D97 PolarHBondContact O-N 3.49Å; I94-D97 VanDerWaalsContact O-N 3.15Å; I94-F98 HydrophobicContact CG1-CE1 4.09Å |
| 95 | L | 89.5 | Confident | 91.7 | Very high | 111 Ų | 111 | 53.7 Ų | 53.7 | 58% | 0.581 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.6 | -24.4 | -179.1 | -73.8 | 177.5 | 0 | 0 | 0 | 113.5 | I39 I91 D92 D97 | I39-L95 HydrophobicContact CD1-CD2 3.68Å; I39-L95 HydrophobicContact CD1-CG 4.22Å; I91-L95 HydrophobicContact CG2-CD1 3.67Å; I91-L95 HydrophobicContact CG2-CG 4.09Å; I91-L95 WeakPolarHBondContact O-CB 3.35Å; I91-L95 WeakPolarHBondContact O-CG 3.37Å; I91-L95 PolarHBondContact O-N 3.05Å; D92-L95 PolarHBondContact O-N 3.16Å; L95-D97 VanDerWaalsContact C-N 3.34Å |
| 96 | K | 87.6 | Confident | 91.6 | Very high | 87 Ų | 87 | 51.2 Ų | 51.2 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 30.7 | 175.7 | -65.2 | -170.2 | 172.2 | 91 | 0 | 112.7 | D92 I94 F98 H99 N101 | D92-K96 WeakPolarHBondContact O-CB 3.24Å; D92-K96 WeakPolarHBondContact O-CG 3.48Å; D92-K96 PolarHBondContact O-N 3.35Å; D92-K96 IonicContact OD1-NZ 2.6Å; D92-K96 PolarHBondContact OD1-NZ 3.45Å; D92-K96 IonicContact OD2-NZ 2.75Å; D92-K96 PolarHBondContact OD2-NZ 2.99Å; I94-K96 PolarHBondContact O-N 2.97Å; K96-F98 VanDerWaalsContact C-N 3.31Å; K96-F98 PolarHBondContact O-N 3.41Å; K96-H99 HydrophobicContact CB-CB 4.08Å; K96-H99 WeakPolarHBondContact O-CB 3.18Å; K96-H99 PolarHBondContact O-N 3.26Å; K96-H99 VanDerWaalsContact O-N 3.08Å; K96-N101 WeakPolarHBondContact CD-ND2 3.31Å; K96-N101 WeakPolarHBondContact CE-ND2 3.21Å |
| 97 | D | 84.1 | Confident | 91.6 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 49 | 179.4 | -57.3 | -47.1 | 0 | 0 | 0 | 113.1 | I94 L95 H99 K181 | I94-D97 PolarHBondContact O-N 3.49Å; I94-D97 VanDerWaalsContact O-N 3.15Å; L95-D97 VanDerWaalsContact C-N 3.34Å; D97-H99 PolarHBondContact O-N 2.88Å; D97-K181 PolarHBondContact O-NZ 2.85Å |
| 98 | F | 84 | Confident | 91.6 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 34.1 | -179.1 | -53.2 | -73.1 | 0 | 0 | 0 | 114.2 | H35 Y93 I94 K96 L183 | H35-F98 AromaticContact CE1-CE2 3.45Å; H35-F98 VanDerWaalsContact CE1-CE2 3.45Å; H35-F98 WeakPolarHBondContact CE1-CE2 3.46Å; H35-F98 AromaticContact CE1-CZ 3.61Å; H35-F98 AromaticContact NE2-CE2 3.66Å; H35-F98 AromaticContact NE2-CZ 3.39Å; H35-F98 WeakPolarHBondContact NE2-CZ 3.43Å; Y93-F98 AromaticContact CD1-CD1 3.89Å; Y93-F98 HydrophobicContact CD1-CD1 3.89Å; Y93-F98 HydrophobicContact CE1-CB 4.16Å; Y93-F98 AromaticContact CE1-CD1 3.46Å; Y93-F98 HydrophobicContact CE1-CD1 3.46Å; Y93-F98 VanDerWaalsContact CE1-CD1 3.46Å; Y93-F98 HydrophobicContact CE1-CE1 4.34Å; Y93-F98 HydrophobicContact CE1-CG 4.29Å; Y93-F98 HydrophobicContact CE2-CB 4.01Å; Y93-F98 WeakPolarHBondContact CE2-O 3.42Å; Y93-F98 AromaticContact CZ-CD1 3.92Å; Y93-F98 WeakPolarHBondContact O-CA 3.37Å; Y93-F98 PolarHBondContact O-N 3.28Å; I94-F98 HydrophobicContact CG1-CE1 4.09Å; K96-F98 VanDerWaalsContact C-N 3.31Å; K96-F98 PolarHBondContact O-N 3.41Å; F98-L183 HydrophobicContact CB-CD2 4.22Å; F98-L183 WeakPolarHBondContact O-CD2 3.18Å |
| 99 | H | 85.7 | Confident | 91.7 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | trans | -96.9 | 117 | 171.7 | -170.5 | 106.5 | 0 | 0 | 0 | 112 | K96 D97 N101 K181 V182 | K96-H99 HydrophobicContact CB-CB 4.08Å; K96-H99 WeakPolarHBondContact O-CB 3.18Å; K96-H99 PolarHBondContact O-N 3.26Å; K96-H99 VanDerWaalsContact O-N 3.08Å; D97-H99 PolarHBondContact O-N 2.88Å; H99-N101 VanDerWaalsContact CD2-CG 3.46Å; H99-N101 PolarHBondContact CD2-ND2 2.99Å; H99-N101 PolarHBondContact CD2-OD1 2.9Å; H99-N101 PolarHBondContact NE2-OD1 3.33Å; H99-N101 VanDerWaalsContact NE2-OD1 3.11Å; H99-K181 WeakPolarHBondContact ND1-CA 3.16Å; H99-V182 PolarHBondContact ND1-N 3.22Å | ||
| 100 | W | 90.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | trans | -92.7 | 104.5 | -178.5 | -175.7 | -94.8 | 0 | 0 | 0 | 113 | F89 Y93 F102 G103 M106 C107 N110 V182 C184 | F89-W100 HydrophobicContact CB-CH2 4.03Å; F89-W100 HydrophobicContact CB-CZ3 4.26Å; Y93-W100 HydrophobicContact CD2-CB 3.98Å; Y93-W100 AromaticContact CD2-CE3 3.94Å; Y93-W100 HydrophobicContact CD2-CE3 3.94Å; Y93-W100 HydrophobicContact CE2-CB 3.99Å; Y93-W100 HydrophobicContact CG-CE3 4.21Å; W100-F102 HydrophobicContact CD2-CD2 4.09Å; W100-F102 AromaticContact CE2-CD2 3.97Å; W100-F102 HydrophobicContact CE3-CD2 4.13Å; W100-F102 AromaticContact CH2-CD2 3.95Å; W100-F102 HydrophobicContact CH2-CD2 3.95Å; W100-F102 HydrophobicContact CZ2-CB 3.72Å; W100-F102 AromaticContact CZ2-CD2 3.9Å; W100-F102 HydrophobicContact CZ2-CD2 3.9Å; W100-F102 HydrophobicContact CZ2-CG 4.24Å; W100-F102 HydrophobicContact CZ3-CD2 4.06Å; W100-G103 PolarHBondContact NE1-O 3.39Å; W100-M106 HydrophobicContact CH2-CG 4.4Å; W100-M106 VanDerWaalsContact CZ2-C 3.5Å; W100-M106 HydrophobicContact CZ2-CB 3.94Å; W100-M106 HydrophobicContact CZ2-CG 3.88Å; W100-C107 HydrophobicContact CZ2-CB 4.15Å; W100-C107 VanDerWaalsContact CZ2-N 3.35Å; W100-N110 HydrophobicContact CH2-CB 4.02Å; W100-V182 HydrophobicContact CB-CG1 4.49Å; W100-V182 WeakPolarHBondContact CB-O 3.15Å; W100-V182 PolarHBondContact N-O 3.29Å; W100-C184 HydrophobicContact CB-CB 3.98Å; W100-C184 HydrophobicContact CD2-CB 3.7Å; W100-C184 HydrophobicContact CE3-CB 4.02Å; W100-C184 HydrophobicContact CG-CB 3.67Å | ||
| 101 | N | 93.5 | Very high | 92.1 | Very high | 86 Ų | 86 | 48 Ų | 48 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | trans | -91.6 | -3.9 | -176.5 | -74.4 | -61.2 | 0 | 0 | 0 | 115.5 | K96 H99 | K96-N101 WeakPolarHBondContact CD-ND2 3.31Å; K96-N101 WeakPolarHBondContact CE-ND2 3.21Å; H99-N101 VanDerWaalsContact CD2-CG 3.46Å; H99-N101 PolarHBondContact CD2-ND2 2.99Å; H99-N101 PolarHBondContact CD2-OD1 2.9Å; H99-N101 PolarHBondContact NE2-OD1 3.33Å; H99-N101 VanDerWaalsContact NE2-OD1 3.11Å | ||
| 102 | F | 94.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -95.8 | 6.7 | -167.5 | -51.4 | -79.5 | 0 | 0 | 0 | 114 | F89 D92 W100 M106 | F89-F102 HydrophobicContact CB-CE2 4.38Å; F89-F102 AromaticContact CD1-CD1 3.68Å; F89-F102 HydrophobicContact CD1-CD1 3.68Å; F89-F102 AromaticContact CD1-CD2 3.83Å; F89-F102 HydrophobicContact CD1-CD2 3.83Å; F89-F102 AromaticContact CD1-CE1 3.6Å; F89-F102 HydrophobicContact CD1-CE1 3.6Å; F89-F102 AromaticContact CD1-CE2 3.76Å; F89-F102 HydrophobicContact CD1-CE2 3.76Å; F89-F102 AromaticContact CD1-CG 3.79Å; F89-F102 HydrophobicContact CD1-CG 3.79Å; F89-F102 AromaticContact CD1-CZ 3.65Å; F89-F102 HydrophobicContact CD1-CZ 3.65Å; F89-F102 AromaticContact CE1-CD1 3.73Å; F89-F102 HydrophobicContact CE1-CD1 3.73Å; F89-F102 AromaticContact CE1-CE1 3.73Å; F89-F102 HydrophobicContact CE1-CE1 3.73Å; F89-F102 HydrophobicContact CE1-CG 4.22Å; F89-F102 HydrophobicContact CE1-CZ 4.23Å; D92-F102 HydrophobicContact CB-CE2 4.12Å; D92-F102 HydrophobicContact CB-CZ 4.03Å; D92-F102 WeakPolarHBondContact OD2-CE2 3.29Å; D92-F102 WeakPolarHBondContact OD2-CZ 3.37Å; W100-F102 HydrophobicContact CD2-CD2 4.09Å; W100-F102 AromaticContact CE2-CD2 3.97Å; W100-F102 HydrophobicContact CE3-CD2 4.13Å; W100-F102 AromaticContact CH2-CD2 3.95Å; W100-F102 HydrophobicContact CH2-CD2 3.95Å; W100-F102 HydrophobicContact CZ2-CB 3.72Å; W100-F102 AromaticContact CZ2-CD2 3.9Å; W100-F102 HydrophobicContact CZ2-CD2 3.9Å; W100-F102 HydrophobicContact CZ2-CG 4.24Å; W100-F102 HydrophobicContact CZ3-CD2 4.06Å; F102-M106 HydrophobicContact CB-CB 3.6Å; F102-M106 HydrophobicContact CB-CG 3.7Å; F102-M106 HydrophobicContact CG-CG 4.42Å; F102-M106 VanDerWaalsContact O-CB 3.24Å; F102-M106 WeakPolarHBondContact O-CB 3.13Å |
| 103 | G | 95.3 | Very high | 92.5 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | 70.8 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W100 A105 C107 | W100-G103 PolarHBondContact NE1-O 3.39Å; G103-A105 PolarHBondContact O-N 3.05Å; G103-C107 PolarHBondContact O-N 3.14Å; G103-C107 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 95.2 | Very high | 92.8 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -42.5 | -173.2 | 179.6 | 61.1 | 0 | 0 | 0 | 113.3 | M106 C107 K108 I175 | L104-M106 PolarHBondContact O-N 3.37Å; L104-C107 WeakPolarHBondContact O-CB 3.33Å; L104-C107 PolarHBondContact O-N 3.5Å; L104-K108 HydrophobicContact CD1-CD 4.24Å; L104-K108 HydrophobicContact CD1-CG 4.42Å; L104-K108 HydrophobicContact CG-CD 4.23Å; L104-K108 PolarHBondContact O-N 2.95Å; L104-I175 HydrophobicContact CB-CD1 4.12Å; L104-I175 HydrophobicContact CB-CG1 4.42Å; L104-I175 HydrophobicContact CD1-CG1 4.3Å; L104-I175 HydrophobicContact CD1-CG2 4.2Å |
| 105 | A | 96.9 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.1 | -47.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G103 C107 K108 I109 | G103-A105 PolarHBondContact O-N 3.05Å; A105-C107 VanDerWaalsContact C-N 3.34Å; A105-C107 PolarHBondContact O-N 3.41Å; A105-K108 PolarHBondContact O-N 3.09Å; A105-I109 VanDerWaalsContact O-CG1 3.26Å; A105-I109 WeakPolarHBondContact O-CG1 3.49Å; A105-I109 PolarHBondContact O-N 3.48Å |
| 106 | M | 96.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 43 Ų | 43 | 16% | 0.163 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.7 | -32.8 | 179.3 | -164.8 | 61 | -166.7 | 0 | 0 | 112 | F86 F89 W100 F102 L104 K108 I109 N110 | F86-M106 HydrophobicContact CD1-CE 3.4Å; F86-M106 HydrophobicContact CE1-CE 3.4Å; F86-M106 HydrophobicContact CE1-SD 4.27Å; F89-M106 HydrophobicContact CD1-CE 3.93Å; F89-M106 HydrophobicContact CD1-CG 4.39Å; F89-M106 HydrophobicContact CD2-CE 3.41Å; F89-M106 VanDerWaalsContact CD2-CE 3.41Å; F89-M106 HydrophobicContact CE1-CE 3.77Å; F89-M106 HydrophobicContact CE1-CG 4.42Å; F89-M106 HydrophobicContact CE2-CE 3.25Å; F89-M106 HydrophobicContact CG-CE 3.77Å; F89-M106 HydrophobicContact CZ-CE 3.45Å; F89-M106 VanDerWaalsContact CZ-CE 3.45Å; W100-M106 HydrophobicContact CH2-CG 4.4Å; W100-M106 VanDerWaalsContact CZ2-C 3.5Å; W100-M106 HydrophobicContact CZ2-CB 3.94Å; W100-M106 HydrophobicContact CZ2-CG 3.88Å; F102-M106 HydrophobicContact CB-CB 3.6Å; F102-M106 HydrophobicContact CB-CG 3.7Å; F102-M106 HydrophobicContact CG-CG 4.42Å; F102-M106 VanDerWaalsContact O-CB 3.24Å; F102-M106 WeakPolarHBondContact O-CB 3.13Å; L104-M106 PolarHBondContact O-N 3.37Å; M106-K108 VanDerWaalsContact C-N 3.33Å; M106-K108 PolarHBondContact O-N 3.03Å; M106-I109 PolarHBondContact O-N 3.48Å; M106-N110 HydrophobicContact CE-CB 4.41Å; M106-N110 WeakPolarHBondContact O-CB 3.47Å; M106-N110 PolarHBondContact O-N 2.96Å |
| 107 | C | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 173.7 | 175.4 | 0 | 0 | 0 | 0 | 111 | W100 G103 L104 A105 S111 D174 I175 C184 | W100-C107 HydrophobicContact CZ2-CB 4.15Å; W100-C107 VanDerWaalsContact CZ2-N 3.35Å; G103-C107 PolarHBondContact O-N 3.14Å; G103-C107 VanDerWaalsContact O-N 3.13Å; L104-C107 WeakPolarHBondContact O-CB 3.33Å; L104-C107 PolarHBondContact O-N 3.5Å; A105-C107 VanDerWaalsContact C-N 3.34Å; A105-C107 PolarHBondContact O-N 3.41Å; C107-S111 PolarHBondContact O-N 3.48Å; C107-S111 PolarHBondContact O-OG 3.01Å; C107-D174 PolarHBondContact SG-O 3.3Å; C107-I175 HydrophobicContact CB-CG2 4.12Å; C107-C184 WeakPolarHBondContact CA-SG 3.48Å; C107-C184 HydrophobicContact CB-CB 3.97Å; C107-C184 WeakPolarHBondContact CB-SG 3.49Å; C107-C184 VanDerWaalsContact SG-CA 3.57Å; C107-C184 WeakPolarHBondContact SG-CB 3.46Å; C107-C184 CovalentContact SG-SG 2.02Å; C107-C184 PolarHBondContact SG-SG 2.98Å |
| 108 | K | 96.4 | Very high | 94.6 | Very high | 50 Ų | 50 | 34.8 Ų | 34.8 | 22% | 0.217 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -48.9 | 176.5 | -72.7 | 171.5 | -177.5 | -93.1 | 0 | 112.1 | L104 A105 M106 F112 L170 V171 R173 | L104-K108 HydrophobicContact CD1-CD 4.24Å; L104-K108 HydrophobicContact CD1-CG 4.42Å; L104-K108 HydrophobicContact CG-CD 4.23Å; L104-K108 PolarHBondContact O-N 2.95Å; A105-K108 PolarHBondContact O-N 3.09Å; M106-K108 VanDerWaalsContact C-N 3.33Å; M106-K108 PolarHBondContact O-N 3.03Å; K108-F112 VanDerWaalsContact O-CB 3.28Å; K108-F112 WeakPolarHBondContact O-CB 3.43Å; K108-F112 PolarHBondContact O-N 2.93Å; K108-L170 HydrophobicContact CB-CD2 4.02Å; K108-L170 WeakPolarHBondContact CD-O 3.25Å; K108-L170 PolarHBondContact NZ-O 3.23Å; K108-V171 PolarHBondContact NZ-O 3.43Å; K108-R173 WeakPolarHBondContact CE-O 3.42Å; K108-R173 HydrophobicContact CG-CB 4.03Å; K108-R173 WeakPolarHBondContact CG-O 3.42Å; K108-R173 PolarHBondContact NZ-O 2.94Å |
| 109 | I | 97.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 31.7 Ų | 31.7 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.4 | -46.3 | -177.4 | -66 | 165.8 | 0 | 0 | 0 | 111.2 | F86 A105 M106 S111 F112 V113 | F86-I109 HydrophobicContact CE1-CG2 3.61Å; F86-I109 HydrophobicContact CZ-CG2 4.07Å; A105-I109 VanDerWaalsContact O-CG1 3.26Å; A105-I109 WeakPolarHBondContact O-CG1 3.49Å; A105-I109 PolarHBondContact O-N 3.48Å; M106-I109 PolarHBondContact O-N 3.48Å; I109-S111 VanDerWaalsContact C-N 3.34Å; I109-S111 PolarHBondContact O-N 3.39Å; I109-F112 PolarHBondContact O-N 3.5Å; I109-V113 HydrophobicContact CG2-CG2 4.24Å; I109-V113 WeakPolarHBondContact O-CG2 3.28Å; I109-V113 PolarHBondContact O-N 3.49Å |
| 110 | N | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | -179.2 | -175.9 | 48.3 | 0 | 0 | 0 | 111.7 | F86 Y90 W100 M106 S114 | F86-N110 HydrophobicContact CD1-CB 4.47Å; F86-N110 PolarHBondContact O-OD1 2.88Å; Y90-N110 WeakPolarHBondContact CD2-ND2 3.2Å; Y90-N110 WeakPolarHBondContact CE2-ND2 3.44Å; W100-N110 HydrophobicContact CH2-CB 4.02Å; M106-N110 HydrophobicContact CE-CB 4.41Å; M106-N110 WeakPolarHBondContact O-CB 3.47Å; M106-N110 PolarHBondContact O-N 2.96Å; N110-S114 PolarHBondContact O-N 3.46Å; N110-S114 VanDerWaalsContact O-N 3.13Å; N110-S114 PolarHBondContact O-OG 2.87Å |
| 111 | S | 94.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.6 | -39.4 | 175.8 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | C107 I109 S114 V115 R173 | C107-S111 PolarHBondContact O-N 3.48Å; C107-S111 PolarHBondContact O-OG 3.01Å; I109-S111 VanDerWaalsContact C-N 3.34Å; I109-S111 PolarHBondContact O-N 3.39Å; S111-S114 PolarHBondContact O-N 3.46Å; S111-V115 WeakPolarHBondContact O-CG2 3.25Å; S111-V115 PolarHBondContact O-N 3.48Å; S111-R173 PolarHBondContact OG-NE 2.66Å; S111-R173 PolarHBondContact OG-NH2 3.38Å |
| 112 | F | 97.5 | Very high | 96.2 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 174.9 | 172.9 | -95.1 | 0 | 0 | 0 | 112.1 | K108 I109 S114 V115 M116 A163 S166 A169 L170 | K108-F112 VanDerWaalsContact O-CB 3.28Å; K108-F112 WeakPolarHBondContact O-CB 3.43Å; K108-F112 PolarHBondContact O-N 2.93Å; I109-F112 PolarHBondContact O-N 3.5Å; F112-S114 VanDerWaalsContact C-N 3.29Å; F112-S114 PolarHBondContact O-N 3.23Å; F112-V115 PolarHBondContact O-N 3.4Å; F112-M116 HydrophobicContact CE1-CB 4.46Å; F112-M116 HydrophobicContact CE1-CE 3.84Å; F112-M116 HydrophobicContact CE1-SD 3.6Å; F112-M116 VanDerWaalsContact CE1-SD 3.6Å; F112-M116 HydrophobicContact CZ-SD 3.66Å; F112-M116 WeakPolarHBondContact O-CB 3.36Å; F112-M116 PolarHBondContact O-N 2.91Å; F112-A163 HydrophobicContact CZ-CB 4.18Å; F112-S166 WeakPolarHBondContact CD2-O 3.18Å; F112-A169 HydrophobicContact CB-CB 4.33Å; F112-L170 HydrophobicContact CB-CD2 3.59Å; F112-L170 HydrophobicContact CB-CG 3.93Å; F112-L170 HydrophobicContact CD2-CD1 3.72Å; F112-L170 HydrophobicContact CD2-CD2 4.17Å; F112-L170 HydrophobicContact CD2-CG 3.63Å; F112-L170 HydrophobicContact CE2-CD1 3.99Å; F112-L170 HydrophobicContact CE2-CG 4.39Å; F112-L170 HydrophobicContact CG-CD1 4.16Å; F112-L170 HydrophobicContact CG-CD2 3.92Å; F112-L170 HydrophobicContact CG-CG 3.92Å |
| 113 | V | 97.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 7% | 0.073 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 178 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | V82 F86 I109 M116 N117 | V82-V113 HydrophobicContact CG1-CG1 4.15Å; F86-V113 HydrophobicContact CB-CG1 4.34Å; F86-V113 HydrophobicContact CD1-CG2 4.36Å; F86-V113 HydrophobicContact CD2-CB 4.41Å; F86-V113 HydrophobicContact CD2-CG1 3.85Å; F86-V113 HydrophobicContact CD2-CG2 4.28Å; F86-V113 HydrophobicContact CE1-CG2 4.17Å; F86-V113 HydrophobicContact CE2-CG1 4.33Å; F86-V113 HydrophobicContact CE2-CG2 4.06Å; F86-V113 HydrophobicContact CG-CB 4.33Å; F86-V113 HydrophobicContact CG-CG1 4.06Å; F86-V113 HydrophobicContact CG-CG2 4.42Å; F86-V113 HydrophobicContact CZ-CG2 4.01Å; I109-V113 HydrophobicContact CG2-CG2 4.24Å; I109-V113 WeakPolarHBondContact O-CG2 3.28Å; I109-V113 PolarHBondContact O-N 3.49Å; V113-M116 PolarHBondContact O-N 3.21Å; V113-N117 WeakPolarHBondContact O-CB 3.47Å; V113-N117 PolarHBondContact O-N 2.91Å |
| 114 | S | 94.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | N110 S111 F112 M118 | N110-S114 PolarHBondContact O-N 3.46Å; N110-S114 VanDerWaalsContact O-N 3.13Å; N110-S114 PolarHBondContact O-OG 2.87Å; S111-S114 PolarHBondContact O-N 3.46Å; F112-S114 VanDerWaalsContact C-N 3.29Å; F112-S114 PolarHBondContact O-N 3.23Å; S114-M118 PolarHBondContact O-N 2.71Å |
| 115 | V | 95.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 18.8 Ų | 18.8 | 18% | 0.176 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.8 | -37.9 | 178.1 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | S111 F112 N117 M118 Y119 A169 | S111-V115 WeakPolarHBondContact O-CG2 3.25Å; S111-V115 PolarHBondContact O-N 3.48Å; F112-V115 PolarHBondContact O-N 3.4Å; V115-N117 VanDerWaalsContact C-N 3.35Å; V115-N117 PolarHBondContact O-N 2.88Å; V115-M118 HydrophobicContact CG1-CE 4.38Å; V115-M118 WeakPolarHBondContact O-CB 3.48Å; V115-M118 PolarHBondContact O-N 3.35Å; V115-Y119 HydrophobicContact CG1-CD2 3.72Å; V115-Y119 HydrophobicContact CG1-CE2 3.44Å; V115-Y119 VanDerWaalsContact CG1-CE2 3.44Å; V115-Y119 WeakPolarHBondContact O-CD2 3.26Å; V115-Y119 PolarHBondContact O-N 3.06Å; V115-Y119 VanDerWaalsContact O-N 3.13Å; V115-A169 HydrophobicContact CG2-CB 4.41Å |
| 116 | M | 97.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 16.4 Ų | 16.4 | 15% | 0.153 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 177.8 | -172.5 | 171.8 | 67.8 | 0 | 0 | 111.8 | F112 V113 Y119 A120 W159 A162 A163 S166 | F112-M116 HydrophobicContact CE1-CB 4.46Å; F112-M116 HydrophobicContact CE1-CE 3.84Å; F112-M116 HydrophobicContact CE1-SD 3.6Å; F112-M116 VanDerWaalsContact CE1-SD 3.6Å; F112-M116 HydrophobicContact CZ-SD 3.66Å; F112-M116 WeakPolarHBondContact O-CB 3.36Å; F112-M116 PolarHBondContact O-N 2.91Å; V113-M116 PolarHBondContact O-N 3.21Å; M116-Y119 PolarHBondContact O-N 2.73Å; M116-A120 WeakPolarHBondContact O-CB 3.46Å; M116-A120 PolarHBondContact O-N 2.91Å; M116-W159 HydrophobicContact CE-CZ3 4.1Å; M116-W159 HydrophobicContact CG-CZ3 4.36Å; M116-W159 HydrophobicContact SD-CE3 4.39Å; M116-W159 HydrophobicContact SD-CZ3 4.29Å; M116-A162 HydrophobicContact CG-CB 4.23Å; M116-A163 HydrophobicContact SD-CB 4.15Å; M116-S166 WeakPolarHBondContact CA-OG 3.37Å; M116-S166 PolarHBondContact N-OG 3.15Å; M116-S166 VanDerWaalsContact N-OG 3.1Å |
| 117 | N | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 173.4 | -179.8 | 56.9 | 0 | 0 | 0 | 111.7 | A79 D80 F83 V113 V115 Y119 A120 S121 S296 | A79-N117 VanDerWaalsContact C-OD1 3.25Å; A79-N117 PolarHBondContact O-OD1 3.35Å; D80-N117 PolarHBondContact N-OD1 3.34Å; D80-N117 PolarHBondContact OD1-OD1 2.96Å; F83-N117 HydrophobicContact CB-CB 3.76Å; F83-N117 WeakPolarHBondContact CD1-ND2 3.11Å; F83-N117 HydrophobicContact CD2-CB 4.19Å; F83-N117 HydrophobicContact CG-CB 4Å; F83-N117 WeakPolarHBondContact CG-ND2 3.37Å; V113-N117 WeakPolarHBondContact O-CB 3.47Å; V113-N117 PolarHBondContact O-N 2.91Å; V115-N117 VanDerWaalsContact C-N 3.35Å; V115-N117 PolarHBondContact O-N 2.88Å; N117-Y119 PolarHBondContact O-N 3.32Å; N117-A120 PolarHBondContact O-N 2.92Å; N117-S121 WeakPolarHBondContact O-CB 3.4Å; N117-S121 PolarHBondContact O-N 3.2Å; N117-S121 PolarHBondContact O-OG 3.22Å; N117-S121 VanDerWaalsContact O-OG 3.05Å; N117-S121 PolarHBondContact OD1-OG 3.03Å; N117-S296 PolarHBondContact ND2-OG 3.1Å |
| 118 | M | 95.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.02 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -54.4 | -51.8 | 177 | 179.7 | -164.3 | 73.8 | 0 | 0 | 111.9 | S114 V115 V122 R208 W258 F261 | S114-M118 PolarHBondContact O-N 2.71Å; V115-M118 HydrophobicContact CG1-CE 4.38Å; V115-M118 WeakPolarHBondContact O-CB 3.48Å; V115-M118 PolarHBondContact O-N 3.35Å; M118-V122 PolarHBondContact O-N 3.26Å; M118-V122 VanDerWaalsContact O-N 3.12Å; M118-R208 HydrophobicContact CE-CG 3.81Å; M118-R208 HydrophobicContact SD-CG 4.24Å; M118-W258 HydrophobicContact CB-CH2 3.55Å; M118-W258 HydrophobicContact CB-CZ2 3.78Å; M118-W258 HydrophobicContact CB-CZ3 4.02Å; M118-W258 HydrophobicContact CG-CD2 4.11Å; M118-W258 HydrophobicContact CG-CE3 3.86Å; M118-W258 HydrophobicContact CG-CH2 3.66Å; M118-W258 HydrophobicContact CG-CZ2 3.9Å; M118-W258 HydrophobicContact CG-CZ3 3.63Å; M118-W258 HydrophobicContact SD-CE3 4.02Å; M118-W258 HydrophobicContact SD-CH2 4.24Å; M118-W258 HydrophobicContact SD-CZ3 3.7Å; M118-F261 HydrophobicContact SD-CE1 4.36Å |
| 119 | Y | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.7 | -43.5 | -179.8 | -72.8 | -59.4 | 0 | 0 | 0 | 112.8 | V115 M116 N117 S121 V122 L123 L165 R208 V211 | V115-Y119 HydrophobicContact CG1-CD2 3.72Å; V115-Y119 HydrophobicContact CG1-CE2 3.44Å; V115-Y119 VanDerWaalsContact CG1-CE2 3.44Å; V115-Y119 WeakPolarHBondContact O-CD2 3.26Å; V115-Y119 PolarHBondContact O-N 3.06Å; V115-Y119 VanDerWaalsContact O-N 3.13Å; M116-Y119 PolarHBondContact O-N 2.73Å; N117-Y119 PolarHBondContact O-N 3.32Å; Y119-S121 PolarHBondContact O-N 3.41Å; Y119-V122 WeakPolarHBondContact O-CG1 3.41Å; Y119-L123 VanDerWaalsContact O-CB 3.32Å; Y119-L123 WeakPolarHBondContact O-CB 3.45Å; Y119-L123 WeakPolarHBondContact O-CD1 3.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.49Å; Y119-L123 PolarHBondContact O-N 3.11Å; Y119-L165 HydrophobicContact CD1-CB 4.37Å; Y119-L165 HydrophobicContact CD1-CD1 3.91Å; Y119-L165 HydrophobicContact CD2-CB 3.69Å; Y119-L165 HydrophobicContact CE1-CB 4.35Å; Y119-L165 HydrophobicContact CE1-CD1 4.13Å; Y119-L165 HydrophobicContact CE2-CB 3.64Å; Y119-L165 WeakPolarHBondContact CE2-O 3.45Å; Y119-L165 HydrophobicContact CG-CB 4.07Å; Y119-L165 HydrophobicContact CG-CD1 4.18Å; Y119-R208 WeakPolarHBondContact OH-CA 3.43Å; Y119-V211 HydrophobicContact CE1-CB 4.4Å; Y119-V211 HydrophobicContact CE1-CG1 4.35Å |
| 120 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | A79 M116 N117 V122 L123 F124 W159 A162 | A79-A120 HydrophobicContact CB-CB 4.17Å; M116-A120 WeakPolarHBondContact O-CB 3.46Å; M116-A120 PolarHBondContact O-N 2.91Å; N117-A120 PolarHBondContact O-N 2.92Å; A120-V122 PolarHBondContact O-N 2.77Å; A120-L123 PolarHBondContact O-N 2.81Å; A120-F124 HydrophobicContact CB-CD2 4.34Å; A120-F124 HydrophobicContact CB-CE2 4.25Å; A120-F124 WeakPolarHBondContact O-CB 3.41Å; A120-F124 WeakPolarHBondContact O-CD2 3.07Å; A120-F124 PolarHBondContact O-N 3.12Å; A120-W159 HydrophobicContact CB-CE3 4.5Å; A120-W159 HydrophobicContact CB-CH2 4.48Å; A120-W159 HydrophobicContact CB-CZ3 4.18Å; A120-A162 HydrophobicContact CB-CB 4.06Å |
| 121 | S | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.2 | -48.4 | -179.3 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | L76 N117 Y119 L123 F124 L125 | L76-S121 WeakPolarHBondContact CD1-OG 3.45Å; N117-S121 WeakPolarHBondContact O-CB 3.4Å; N117-S121 PolarHBondContact O-N 3.2Å; N117-S121 PolarHBondContact O-OG 3.22Å; N117-S121 VanDerWaalsContact O-OG 3.05Å; N117-S121 PolarHBondContact OD1-OG 3.03Å; Y119-S121 PolarHBondContact O-N 3.41Å; S121-L123 PolarHBondContact O-N 3.46Å; S121-F124 PolarHBondContact O-N 3.22Å; S121-L125 WeakPolarHBondContact O-CB 3.16Å; S121-L125 WeakPolarHBondContact O-CG 3.2Å; S121-L125 PolarHBondContact O-N 2.96Å |
| 122 | V | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | 179.9 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | M118 Y119 A120 L125 T126 P216 F254 | M118-V122 PolarHBondContact O-N 3.26Å; M118-V122 VanDerWaalsContact O-N 3.12Å; Y119-V122 WeakPolarHBondContact O-CG1 3.41Å; A120-V122 PolarHBondContact O-N 2.77Å; V122-L125 PolarHBondContact O-N 3.17Å; V122-T126 WeakPolarHBondContact O-CB 3.07Å; V122-T126 PolarHBondContact O-N 2.91Å; V122-T126 PolarHBondContact O-OG1 2.97Å; V122-P216 HydrophobicContact CB-CG 4.46Å; V122-P216 HydrophobicContact CG1-CG 4.03Å; V122-P216 HydrophobicContact CG2-CB 3.35Å; V122-P216 HydrophobicContact CG2-CG 3.58Å; V122-F254 HydrophobicContact CB-CE1 3.85Å; V122-F254 HydrophobicContact CB-CE2 3.89Å; V122-F254 HydrophobicContact CB-CZ 3.4Å; V122-F254 HydrophobicContact CG2-CD1 4.11Å; V122-F254 HydrophobicContact CG2-CE1 3.39Å; V122-F254 HydrophobicContact CG2-CE2 4.3Å; V122-F254 HydrophobicContact CG2-CZ 3.53Å |
| 123 | L | 96.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 16.3 Ų | 16.3 | 18% | 0.178 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.8 | -42.2 | 177.9 | -70 | 173 | 0 | 0 | 0 | 111.5 | Y119 A120 S121 T126 V127 I158 T161 | Y119-L123 VanDerWaalsContact O-CB 3.32Å; Y119-L123 WeakPolarHBondContact O-CB 3.45Å; Y119-L123 WeakPolarHBondContact O-CD1 3.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.49Å; Y119-L123 PolarHBondContact O-N 3.11Å; A120-L123 PolarHBondContact O-N 2.81Å; S121-L123 PolarHBondContact O-N 3.46Å; L123-T126 WeakPolarHBondContact O-CB 3.17Å; L123-T126 PolarHBondContact O-N 2.89Å; L123-V127 PolarHBondContact O-N 3.49Å; L123-I158 HydrophobicContact CB-CG1 4.46Å; L123-I158 HydrophobicContact CB-CG2 3.71Å; L123-I158 HydrophobicContact CD1-CG2 4.19Å; L123-T161 HydrophobicContact CD1-CG2 4.21Å |
| 124 | F | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.009 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.9 | -78.7 | -55.4 | 0 | 0 | 0 | 112 | N75 L76 A120 S121 T126 V127 L128 C155 I158 W159 | N75-F124 HydrophobicContact CB-CD1 4.3Å; N75-F124 HydrophobicContact CB-CD2 4.35Å; N75-F124 HydrophobicContact CB-CE1 3.67Å; N75-F124 HydrophobicContact CB-CE2 3.71Å; N75-F124 HydrophobicContact CB-CZ 3.35Å; L76-F124 HydrophobicContact CB-CB 4.36Å; L76-F124 HydrophobicContact CD1-CB 4.32Å; A120-F124 HydrophobicContact CB-CD2 4.34Å; A120-F124 HydrophobicContact CB-CE2 4.25Å; A120-F124 WeakPolarHBondContact O-CB 3.41Å; A120-F124 WeakPolarHBondContact O-CD2 3.07Å; A120-F124 PolarHBondContact O-N 3.12Å; S121-F124 PolarHBondContact O-N 3.22Å; F124-T126 VanDerWaalsContact C-N 3.32Å; F124-T126 PolarHBondContact O-N 3.49Å; F124-V127 PolarHBondContact O-N 2.96Å; F124-L128 WeakPolarHBondContact O-CB 3.33Å; F124-L128 PolarHBondContact O-N 2.67Å; F124-C155 HydrophobicContact CE1-CB 4.17Å; F124-C155 HydrophobicContact CZ-CB 4.39Å; F124-I158 HydrophobicContact CD1-CD1 3.61Å; F124-I158 HydrophobicContact CD1-CG2 4.25Å; F124-I158 HydrophobicContact CD2-CG2 4.12Å; F124-I158 HydrophobicContact CE1-CB 4.08Å; F124-I158 HydrophobicContact CE1-CD1 3.49Å; F124-I158 VanDerWaalsContact CE1-CD1 3.49Å; F124-I158 HydrophobicContact CE1-CG1 4.41Å; F124-I158 HydrophobicContact CE1-CG2 3.89Å; F124-I158 HydrophobicContact CE2-CG2 3.76Å; F124-I158 HydrophobicContact CG-CD1 4.47Å; F124-I158 HydrophobicContact CG-CG2 4.32Å; F124-I158 HydrophobicContact CZ-CB 4.02Å; F124-I158 HydrophobicContact CZ-CD1 4.3Å; F124-I158 HydrophobicContact CZ-CG2 3.61Å; F124-W159 HydrophobicContact CE2-CZ2 4.32Å; F124-W159 AromaticContact CZ-NE1 3.8Å |
| 125 | L | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | 174.9 | -69.3 | 175.6 | 0 | 0 | 0 | 112.3 | L76 S121 V122 L128 S129 I220 V250 I251 F254 | L76-L125 HydrophobicContact CD2-CD2 3.88Å; L76-L125 HydrophobicContact CD2-CG 4.46Å; S121-L125 WeakPolarHBondContact O-CB 3.16Å; S121-L125 WeakPolarHBondContact O-CG 3.2Å; S121-L125 PolarHBondContact O-N 2.96Å; V122-L125 PolarHBondContact O-N 3.17Å; L125-L128 PolarHBondContact O-N 3.27Å; L125-S129 PolarHBondContact O-N 3.26Å; L125-I220 HydrophobicContact CB-CD1 4.43Å; L125-V250 HydrophobicContact CD1-CG1 4.47Å; L125-V250 HydrophobicContact CD2-CG1 3.49Å; L125-V250 VanDerWaalsContact CD2-CG1 3.49Å; L125-I251 HydrophobicContact CB-CG1 4.4Å; L125-I251 HydrophobicContact CD2-CG1 4.38Å; L125-F254 HydrophobicContact CD1-CB 3.54Å; L125-F254 HydrophobicContact CD1-CD2 3.66Å; L125-F254 HydrophobicContact CD1-CG 3.65Å |
| 126 | T | 95.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 19 Ų | 19 | 12% | 0.117 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.6 | -51.8 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111 | V122 L123 F124 L128 S129 V130 P216 A219 I220 | V122-T126 WeakPolarHBondContact O-CB 3.07Å; V122-T126 PolarHBondContact O-N 2.91Å; V122-T126 PolarHBondContact O-OG1 2.97Å; L123-T126 WeakPolarHBondContact O-CB 3.17Å; L123-T126 PolarHBondContact O-N 2.89Å; F124-T126 VanDerWaalsContact C-N 3.32Å; F124-T126 PolarHBondContact O-N 3.49Å; T126-L128 VanDerWaalsContact C-N 3.28Å; T126-L128 PolarHBondContact O-N 2.93Å; T126-S129 PolarHBondContact O-N 3.36Å; T126-V130 WeakPolarHBondContact O-CG2 3.31Å; T126-V130 PolarHBondContact O-N 3.37Å; T126-P216 WeakPolarHBondContact OG1-CB 3.3Å; T126-A219 HydrophobicContact CG2-CB 4.06Å; T126-I220 HydrophobicContact CG2-CG1 4.49Å |
| 127 | V | 94.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 19.5 Ų | 19.5 | 24% | 0.242 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | W72 L123 F124 S129 V130 D131 V154 I158 | W72-V127 HydrophobicContact CD2-CG1 4.15Å; W72-V127 HydrophobicContact CE3-CG1 4.18Å; W72-V127 HydrophobicContact CH2-CG1 3.87Å; W72-V127 HydrophobicContact CZ2-CG1 3.84Å; W72-V127 HydrophobicContact CZ3-CG1 4.05Å; L123-V127 PolarHBondContact O-N 3.49Å; F124-V127 PolarHBondContact O-N 2.96Å; V127-S129 PolarHBondContact O-N 3.06Å; V127-V130 PolarHBondContact O-N 2.98Å; V127-D131 VanDerWaalsContact O-CB 3.23Å; V127-D131 WeakPolarHBondContact O-CB 3.49Å; V127-D131 PolarHBondContact O-N 3.41Å; V127-V154 HydrophobicContact CG1-CG1 4.3Å; V127-V154 HydrophobicContact CG2-CG1 4.44Å; V127-I158 HydrophobicContact CB-CD1 4.36Å; V127-I158 HydrophobicContact CG2-CD1 3.89Å |
| 128 | L | 91.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 175.8 | -173.5 | 61.4 | 0 | 0 | 0 | 111.4 | W72 L73 F124 L125 T126 D131 R132 F243 V247 | W72-L128 HydrophobicContact CB-CD1 4.16Å; W72-L128 HydrophobicContact CG-CD1 4.34Å; L73-L128 HydrophobicContact CD2-CD2 4.42Å; F124-L128 WeakPolarHBondContact O-CB 3.33Å; F124-L128 PolarHBondContact O-N 2.67Å; L125-L128 PolarHBondContact O-N 3.27Å; T126-L128 VanDerWaalsContact C-N 3.28Å; T126-L128 PolarHBondContact O-N 2.93Å; L128-D131 PolarHBondContact O-N 3.43Å; L128-R132 VanDerWaalsContact O-CG 3.28Å; L128-R132 WeakPolarHBondContact O-CG 3.32Å; L128-R132 PolarHBondContact O-N 3.38Å; L128-F243 HydrophobicContact CD1-CE1 4.25Å; L128-F243 HydrophobicContact CD1-CZ 4Å; L128-V247 HydrophobicContact CD1-CG2 4.39Å; L128-V247 HydrophobicContact CD2-CB 4.31Å; L128-V247 HydrophobicContact CD2-CG1 3.78Å; L128-V247 HydrophobicContact CD2-CG2 3.63Å; L128-V247 HydrophobicContact CG-CG1 3.8Å; L128-V247 HydrophobicContact CG-CG2 3.98Å |
| 129 | S | 90.5 | Very high | 91.1 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 176.2 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | L125 T126 V127 R132 Y133 T223 | L125-S129 PolarHBondContact O-N 3.26Å; T126-S129 PolarHBondContact O-N 3.36Å; V127-S129 PolarHBondContact O-N 3.06Å; S129-R132 PolarHBondContact O-N 3.37Å; S129-Y133 PolarHBondContact O-N 2.83Å; S129-T223 PolarHBondContact OG-OG1 3.03Å |
| 130 | V | 92.4 | Very high | 90.5 | Very high | 57 Ų | 57 | 36.3 Ų | 36.3 | 35% | 0.345 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -48 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | T126 V127 R132 Y133 V134 T223 | T126-V130 WeakPolarHBondContact O-CG2 3.31Å; T126-V130 PolarHBondContact O-N 3.37Å; V127-V130 PolarHBondContact O-N 2.98Å; V130-R132 VanDerWaalsContact C-N 3.26Å; V130-R132 PolarHBondContact O-N 2.82Å; V130-Y133 PolarHBondContact O-N 2.81Å; V130-Y133 VanDerWaalsContact O-N 3.12Å; V130-V134 HydrophobicContact CG1-CG2 4.09Å; V130-V134 WeakPolarHBondContact O-CG2 3.47Å; V130-V134 PolarHBondContact O-N 2.97Å; V130-T223 HydrophobicContact CG2-CG2 3.97Å |
| 131 | D | 90.4 | Very high | 90 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 9% | 0.086 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -34.8 | 179.1 | 174.7 | 81.3 | 0 | 0 | 0 | 112 | N69 V127 L128 S135 R146 | N69-D131 PolarHBondContact OD1-OD2 2.91Å; V127-D131 VanDerWaalsContact O-CB 3.23Å; V127-D131 WeakPolarHBondContact O-CB 3.49Å; V127-D131 PolarHBondContact O-N 3.41Å; L128-D131 PolarHBondContact O-N 3.43Å; D131-S135 WeakPolarHBondContact O-CB 3.34Å; D131-S135 PolarHBondContact O-N 2.94Å; D131-S135 PolarHBondContact O-OG 3.44Å; D131-R146 WeakPolarHBondContact OD1-CD 3.37Å; D131-R146 IonicContact OD1-CZ 3.82Å; D131-R146 IonicContact OD1-NE 2.83Å; D131-R146 PolarHBondContact OD1-NE 2.84Å; D131-R146 IonicContact OD2-CZ 3.87Å; D131-R146 IonicContact OD2-NE 3.56Å; D131-R146 IonicContact OD2-NH2 3.44Å; D131-R146 PolarHBondContact OD2-NH2 2.88Å |
| 132 | R | 85.6 | Confident | 89.4 | Confident | 28 Ų | 28 | 43 Ų | 43 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 174 | -70.1 | -55.9 | 81.1 | -144.7 | -12.6 | 112.3 | N69 L128 S129 V130 S135 | N69-R132 VanDerWaalsContact ND2-CZ 3.28Å; N69-R132 PolarHBondContact ND2-NH1 3.49Å; N69-R132 PolarHBondContact ND2-NH2 2.87Å; N69-R132 PolarHBondContact OD1-NH2 3.33Å; L128-R132 VanDerWaalsContact O-CG 3.28Å; L128-R132 WeakPolarHBondContact O-CG 3.32Å; L128-R132 PolarHBondContact O-N 3.38Å; S129-R132 PolarHBondContact O-N 3.37Å; V130-R132 VanDerWaalsContact C-N 3.26Å; V130-R132 PolarHBondContact O-N 2.82Å; R132-S135 PolarHBondContact NH2-OG 2.88Å |
| 133 | Y | 87.6 | Confident | 88.6 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -50.2 | 176 | 173.6 | -107.4 | 0 | 0 | 0 | 111.2 | S129 V130 S135 L136 V137 Y138 L226 L227 | S129-Y133 PolarHBondContact O-N 2.83Å; V130-Y133 PolarHBondContact O-N 2.81Å; V130-Y133 VanDerWaalsContact O-N 3.12Å; Y133-S135 VanDerWaalsContact C-N 3.32Å; Y133-S135 PolarHBondContact O-N 3.33Å; Y133-L136 PolarHBondContact O-N 3.46Å; Y133-V137 HydrophobicContact CD2-CG2 3.91Å; Y133-V137 HydrophobicContact CE1-CG2 4.41Å; Y133-V137 HydrophobicContact CE2-CB 4.38Å; Y133-V137 HydrophobicContact CE2-CG2 3.4Å; Y133-V137 PolarHBondContact O-N 3.11Å; Y133-Y138 HydrophobicContact CE1-CE2 4.15Å; Y133-L226 HydrophobicContact CD2-CB 3.93Å; Y133-L226 HydrophobicContact CE1-CD1 4.33Å; Y133-L226 HydrophobicContact CE2-CB 3.41Å; Y133-L226 VanDerWaalsContact CE2-CB 3.41Å; Y133-L226 HydrophobicContact CE2-CD1 4.34Å; Y133-L226 HydrophobicContact CE2-CG 4.48Å; Y133-L227 HydrophobicContact CD2-CB 4.29Å |
| 134 | V | 89.3 | Confident | 88.1 | Confident | 28 Ų | 28 | 58 Ų | 58 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -41.1 | -179.5 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V130 L136 V137 Y138 W141 | V130-V134 HydrophobicContact CG1-CG2 4.09Å; V130-V134 WeakPolarHBondContact O-CG2 3.47Å; V130-V134 PolarHBondContact O-N 2.97Å; V134-L136 PolarHBondContact O-N 3.26Å; V134-L136 VanDerWaalsContact O-N 3.15Å; V134-V137 PolarHBondContact O-N 3.47Å; V134-Y138 HydrophobicContact CG1-CD2 4.33Å; V134-Y138 HydrophobicContact CG2-CD2 4.46Å; V134-Y138 PolarHBondContact O-N 3.48Å; V134-W141 HydrophobicContact CG1-CD2 4.5Å; V134-W141 HydrophobicContact CG1-CE3 3.78Å; V134-W141 HydrophobicContact CG1-CZ3 4.09Å |
| 135 | S | 85.3 | Confident | 87.7 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 11% | 0.112 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.5 | -24.1 | 176.8 | -66.7 | 0 | 0 | 0 | 0 | 114.2 | D131 R132 Y133 L139 C142 R146 | D131-S135 WeakPolarHBondContact O-CB 3.34Å; D131-S135 PolarHBondContact O-N 2.94Å; D131-S135 PolarHBondContact O-OG 3.44Å; R132-S135 PolarHBondContact NH2-OG 2.88Å; Y133-S135 VanDerWaalsContact C-N 3.32Å; Y133-S135 PolarHBondContact O-N 3.33Å; S135-L139 WeakPolarHBondContact O-CD2 3.35Å; S135-C142 VanDerWaalsContact CA-SG 3.59Å; S135-R146 VanDerWaalsContact OG-CZ 3.26Å; S135-R146 PolarHBondContact OG-NE 3.49Å |
| 136 | L | 82.7 | Confident | 87.6 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -99.9 | -29 | -178.5 | -76.6 | 168.8 | 0 | 0 | 0 | 113 | Y133 V134 L227 V238 | Y133-L136 PolarHBondContact O-N 3.46Å; V134-L136 PolarHBondContact O-N 3.26Å; V134-L136 VanDerWaalsContact O-N 3.15Å; L136-L227 HydrophobicContact CD1-CD1 3.21Å; L136-L227 HydrophobicContact CG-CD1 4.47Å; L136-V238 HydrophobicContact CD2-CG1 3.93Å |
| 137 | V | 85 | Confident | 87.5 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.255 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -96.5 | -38.7 | -176.5 | 179.1 | 0 | 0 | 0 | 0 | 112.5 | Y133 V134 K230 | Y133-V137 HydrophobicContact CD2-CG2 3.91Å; Y133-V137 HydrophobicContact CE1-CG2 4.41Å; Y133-V137 HydrophobicContact CE2-CB 4.38Å; Y133-V137 HydrophobicContact CE2-CG2 3.4Å; Y133-V137 PolarHBondContact O-N 3.11Å; V134-V137 PolarHBondContact O-N 3.47Å; V137-K230 HydrophobicContact CG2-CG 4.25Å |
| 138 | Y | 85.4 | Confident | 87.3 | Confident | 125 Ų | 125 | 67 Ų | 67 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | trans | -116.7 | 67.4 | -171.2 | -58 | -76.4 | 0 | 0 | 0 | 111.6 | Y133 V134 N140 W141 C142 | Y133-Y138 HydrophobicContact CE1-CE2 4.15Å; V134-Y138 HydrophobicContact CG1-CD2 4.33Å; V134-Y138 HydrophobicContact CG2-CD2 4.46Å; V134-Y138 PolarHBondContact O-N 3.48Å; Y138-N140 PolarHBondContact O-N 3.48Å; Y138-W141 PolarHBondContact O-N 3.03Å; Y138-C142 PolarHBondContact O-N 2.93Å; Y138-C142 PolarHBondContact O-SG 3.35Å; Y138-C142 VanDerWaalsContact O-SG 3.33Å | ||
| 139 | L | 83.8 | Confident | 87.5 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 56% | 0.56 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.8 | -45.2 | -178.1 | -66.9 | 174.2 | 0 | 0 | 0 | 112.9 | S135 W141 C142 Q143 | S135-L139 WeakPolarHBondContact O-CD2 3.35Å; L139-W141 VanDerWaalsContact C-N 3.29Å; L139-W141 PolarHBondContact O-N 3.3Å; L139-C142 WeakPolarHBondContact O-CB 3.25Å; L139-C142 PolarHBondContact O-N 3.07Å; L139-C142 VanDerWaalsContact O-N 3.13Å; L139-Q143 WeakPolarHBondContact O-CG 3.42Å; L139-Q143 PolarHBondContact O-N 3.09Å |
| 140 | N | 85 | Confident | 87.7 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.8 | -37.6 | 179.9 | -63.4 | -1.1 | 0 | 0 | 0 | 111.8 | Y138 R144 | Y138-N140 PolarHBondContact O-N 3.48Å; N140-R144 PolarHBondContact O-N 3.17Å |
| 141 | W | 87.1 | Confident | 87.8 | Confident | 124 Ų | 124 | 75.8 Ų | 75.8 | 47% | 0.47 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.1 | -171.9 | 97.4 | 0 | 0 | 0 | 110.7 | V134 Y138 L139 Q143 R144 Y145 R146 | V134-W141 HydrophobicContact CG1-CD2 4.5Å; V134-W141 HydrophobicContact CG1-CE3 3.78Å; V134-W141 HydrophobicContact CG1-CZ3 4.09Å; Y138-W141 PolarHBondContact O-N 3.03Å; L139-W141 VanDerWaalsContact C-N 3.29Å; L139-W141 PolarHBondContact O-N 3.3Å; W141-Q143 VanDerWaalsContact C-N 3.35Å; W141-Q143 PolarHBondContact O-N 3.03Å; W141-R144 PolarHBondContact O-N 3.24Å; W141-R144 VanDerWaalsContact O-N 3.17Å; W141-Y145 AromaticContact CD1-CD2 3.43Å; W141-Y145 VanDerWaalsContact CD1-CD2 3.43Å; W141-Y145 AromaticContact CD1-CE2 3.88Å; W141-Y145 AromaticContact CD2-CD2 3.96Å; W141-Y145 HydrophobicContact CD2-CD2 3.96Å; W141-Y145 HydrophobicContact CD2-CG 4.48Å; W141-Y145 AromaticContact CE2-CD2 3.71Å; W141-Y145 AromaticContact CG-CD2 3.77Å; W141-Y145 HydrophobicContact CG-CD2 3.77Å; W141-Y145 HydrophobicContact CZ2-CD2 4.45Å; W141-Y145 HydrophobicContact CZ2-CG 4.42Å; W141-Y145 AromaticContact NE1-CD2 3.36Å; W141-Y145 AromaticContact NE1-CE2 3.96Å; W141-Y145 WeakPolarHBondContact O-CB 3.28Å; W141-Y145 PolarHBondContact O-N 2.83Å; W141-R146 HydrophobicContact CZ3-CB 4.28Å |
| 142 | C | 83.2 | Confident | 88 | Confident | 17 Ų | 17 | 80.4 Ų | 80.4 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.5 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | S135 Y138 L139 R144 R146 | S135-C142 VanDerWaalsContact CA-SG 3.59Å; Y138-C142 PolarHBondContact O-N 2.93Å; Y138-C142 PolarHBondContact O-SG 3.35Å; Y138-C142 VanDerWaalsContact O-SG 3.33Å; L139-C142 WeakPolarHBondContact O-CB 3.25Å; L139-C142 PolarHBondContact O-N 3.07Å; L139-C142 VanDerWaalsContact O-N 3.13Å; C142-R144 PolarHBondContact O-N 3.45Å; C142-R146 HydrophobicContact CB-CB 4.09Å; C142-R146 WeakPolarHBondContact O-CB 3.45Å; C142-R146 PolarHBondContact O-N 3.45Å; C142-R146 VanDerWaalsContact O-N 3.08Å |
| 143 | Q | 80.3 | Confident | 88.6 | Confident | 164 Ų | 164 | 84.8 Ų | 84.8 | 77% | 0.766 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.6 | -34.4 | 177 | -73.6 | 175.6 | -14.2 | 0 | 0 | 112.6 | L139 W141 | L139-Q143 WeakPolarHBondContact O-CG 3.42Å; L139-Q143 PolarHBondContact O-N 3.09Å; W141-Q143 VanDerWaalsContact C-N 3.35Å; W141-Q143 PolarHBondContact O-N 3.03Å |
| 144 | R | 85.3 | Confident | 89.1 | Confident | 184 Ų | 184 | 85.4 Ų | 85.4 | 69% | 0.694 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -90.6 | -33.3 | -176.3 | -170 | 170.3 | 179.7 | 143.9 | 0.9 | 114.3 | N140 W141 C142 | N140-R144 PolarHBondContact O-N 3.17Å; W141-R144 PolarHBondContact O-N 3.24Å; W141-R144 VanDerWaalsContact O-N 3.17Å; C142-R144 PolarHBondContact O-N 3.45Å |
| 145 | Y | 88 | Confident | 89.5 | Confident | 78 Ų | 78 | 84.1 Ų | 84.1 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -127.3 | -14.4 | -164.8 | -59.9 | -57.8 | 0 | 0 | 0 | 115.3 | W141 T147 R150 | W141-Y145 AromaticContact CD1-CD2 3.43Å; W141-Y145 VanDerWaalsContact CD1-CD2 3.43Å; W141-Y145 AromaticContact CD1-CE2 3.88Å; W141-Y145 AromaticContact CD2-CD2 3.96Å; W141-Y145 HydrophobicContact CD2-CD2 3.96Å; W141-Y145 HydrophobicContact CD2-CG 4.48Å; W141-Y145 AromaticContact CE2-CD2 3.71Å; W141-Y145 AromaticContact CG-CD2 3.77Å; W141-Y145 HydrophobicContact CG-CD2 3.77Å; W141-Y145 HydrophobicContact CZ2-CD2 4.45Å; W141-Y145 HydrophobicContact CZ2-CG 4.42Å; W141-Y145 AromaticContact NE1-CD2 3.36Å; W141-Y145 AromaticContact NE1-CE2 3.96Å; W141-Y145 WeakPolarHBondContact O-CB 3.28Å; W141-Y145 PolarHBondContact O-N 2.83Å; Y145-T147 VanDerWaalsContact C-N 3.28Å; Y145-T147 PolarHBondContact O-N 3.4Å; Y145-R150 WeakPolarHBondContact O-CD 3.41Å |
| 146 | R | 90.9 | Very high | 90.1 | Very high | 74 Ų | 74 | 85.3 Ų | 85.3 | 28% | 0.279 | 41% | 0.407 | S | S | . | . | trans | -86.4 | 69.4 | -179.2 | -171.8 | 171 | 170.7 | -103.8 | -11.9 | 110.6 | V68 N69 D131 S135 W141 C142 | V68-R146 HydrophobicContact CB-CG 4.23Å; V68-R146 HydrophobicContact CG1-CG 4.14Å; V68-R146 HydrophobicContact CG2-CG 3.87Å; N69-R146 PolarHBondContact OD1-NH2 3.39Å; D131-R146 WeakPolarHBondContact OD1-CD 3.37Å; D131-R146 IonicContact OD1-CZ 3.82Å; D131-R146 IonicContact OD1-NE 2.83Å; D131-R146 PolarHBondContact OD1-NE 2.84Å; D131-R146 IonicContact OD2-CZ 3.87Å; D131-R146 IonicContact OD2-NE 3.56Å; D131-R146 IonicContact OD2-NH2 3.44Å; D131-R146 PolarHBondContact OD2-NH2 2.88Å; S135-R146 VanDerWaalsContact OG-CZ 3.26Å; S135-R146 PolarHBondContact OG-NE 3.49Å; W141-R146 HydrophobicContact CZ3-CB 4.28Å; C142-R146 HydrophobicContact CB-CB 4.09Å; C142-R146 WeakPolarHBondContact O-CB 3.45Å; C142-R146 PolarHBondContact O-N 3.45Å; C142-R146 VanDerWaalsContact O-N 3.08Å | ||
| 147 | T | 92.8 | Very high | 90.8 | Very high | 57 Ų | 57 | 85.7 Ų | 85.7 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | trans | -101.8 | 158.1 | 178.9 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | V68 Y145 R150 A151 | V68-T147 WeakPolarHBondContact CG2-O 3.38Å; Y145-T147 VanDerWaalsContact C-N 3.28Å; Y145-T147 PolarHBondContact O-N 3.4Å; T147-R150 WeakPolarHBondContact OG1-CG 3.48Å; T147-A151 PolarHBondContact O-N 3.48Å; T147-A151 VanDerWaalsContact O-N 3.14Å | ||
| 148 | V | 92.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 84.2 Ų | 84.2 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | V71 R150 A151 W152 | V71-V148 HydrophobicContact CG2-CG1 4.07Å; V148-R150 PolarHBondContact O-N 3.47Å; V148-A151 WeakPolarHBondContact O-CB 3.3Å; V148-A151 PolarHBondContact O-N 3.33Å; V148-A151 VanDerWaalsContact O-N 3.12Å; V148-W152 PolarHBondContact O-N 2.95Å |
| 149 | D | 93.8 | Very high | 92.1 | Very high | 125 Ų | 125 | 81.2 Ų | 81.2 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | -178.9 | -50.3 | -39.5 | 0 | 0 | 0 | 111.8 | A151 W152 L153 | D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 3.44Å; D149-W152 PolarHBondContact O-N 3.48Å; D149-L153 PolarHBondContact O-N 2.86Å |
| 150 | R | 94.6 | Very high | 92.8 | Very high | 129 Ų | 129 | 81.3 Ų | 81.3 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 174.3 | -71.7 | 176.7 | 175.3 | -143.2 | 3.2 | 111.9 | Y145 T147 V148 W152 L153 V154 | Y145-R150 WeakPolarHBondContact O-CD 3.41Å; T147-R150 WeakPolarHBondContact OG1-CG 3.48Å; V148-R150 PolarHBondContact O-N 3.47Å; R150-W152 VanDerWaalsContact C-N 3.34Å; R150-L153 PolarHBondContact O-N 2.91Å; R150-V154 WeakPolarHBondContact O-CG2 3.36Å; R150-V154 PolarHBondContact O-N 3.39Å |
| 151 | A | 94.7 | Very high | 93.4 | Very high | 3 Ų | 3 | 78.1 Ų | 78.1 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V68 V71 W72 T147 V148 D149 V154 C155 | V68-A151 HydrophobicContact CB-CB 4.4Å; V68-A151 HydrophobicContact CG1-CB 4.01Å; V68-A151 HydrophobicContact CG2-CB 4.19Å; V71-A151 HydrophobicContact CB-CB 4.27Å; V71-A151 HydrophobicContact CG1-CB 4.13Å; W72-A151 HydrophobicContact CH2-CB 3.64Å; W72-A151 HydrophobicContact CZ2-CB 3.8Å; W72-A151 HydrophobicContact CZ3-CB 4.12Å; W72-A151 VanDerWaalsContact CZ3-O 3.3Å; W72-A151 WeakPolarHBondContact CZ3-O 3.37Å; T147-A151 PolarHBondContact O-N 3.48Å; T147-A151 VanDerWaalsContact O-N 3.14Å; V148-A151 WeakPolarHBondContact O-CB 3.3Å; V148-A151 PolarHBondContact O-N 3.33Å; V148-A151 VanDerWaalsContact O-N 3.12Å; D149-A151 VanDerWaalsContact C-N 3.3Å; D149-A151 PolarHBondContact O-N 3.44Å; A151-V154 PolarHBondContact O-N 3.05Å; A151-C155 PolarHBondContact O-N 3.48Å; A151-C155 PolarHBondContact O-SG 3.44Å; A151-C155 VanDerWaalsContact O-SG 3.34Å |
| 152 | W | 96.3 | Very high | 93.9 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 43% | 0.428 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 173.8 | -80.6 | 115.4 | 0 | 0 | 0 | 113.3 | V71 L74 N75 V148 D149 R150 V154 C155 G156 | V71-W152 HydrophobicContact CG1-CD2 3.93Å; V71-W152 HydrophobicContact CG1-CE3 4.23Å; V71-W152 HydrophobicContact CG1-CG 4.3Å; V71-W152 HydrophobicContact CG1-CZ2 4.37Å; V71-W152 HydrophobicContact CG2-CZ2 4.48Å; L74-W152 HydrophobicContact CD2-CH2 3.92Å; L74-W152 HydrophobicContact CD2-CZ2 4.15Å; N75-W152 WeakPolarHBondContact ND2-CZ3 3.35Å; V148-W152 PolarHBondContact O-N 2.95Å; D149-W152 PolarHBondContact O-N 3.48Å; R150-W152 VanDerWaalsContact C-N 3.34Å; W152-V154 PolarHBondContact O-N 3.4Å; W152-C155 HydrophobicContact CE3-CB 4.38Å; W152-C155 WeakPolarHBondContact O-CB 3.5Å; W152-C155 PolarHBondContact O-N 3.08Å; W152-G156 PolarHBondContact O-N 2.81Å |
| 153 | L | 97.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 72.9 Ų | 72.9 | 63% | 0.628 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.9 | -47.4 | 173.1 | 178 | 63.2 | 0 | 0 | 0 | 111.3 | D149 R150 C155 G156 C157 | D149-L153 PolarHBondContact O-N 2.86Å; R150-L153 PolarHBondContact O-N 2.91Å; L153-C155 VanDerWaalsContact C-N 3.34Å; L153-C155 PolarHBondContact O-N 3.36Å; L153-G156 PolarHBondContact O-N 3.26Å; L153-G156 VanDerWaalsContact O-N 3.15Å; L153-C157 PolarHBondContact O-N 3.05Å; L153-C157 PolarHBondContact O-SG 3.18Å; L153-C157 VanDerWaalsContact O-SG 3.4Å |
| 154 | V | 97.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | W72 V127 R150 A151 W152 G156 C157 I158 | W72-V154 HydrophobicContact CH2-CB 3.72Å; W72-V154 HydrophobicContact CH2-CG1 3.68Å; W72-V154 HydrophobicContact CH2-CG2 4.4Å; W72-V154 HydrophobicContact CZ3-CB 3.95Å; W72-V154 HydrophobicContact CZ3-CG1 3.77Å; V127-V154 HydrophobicContact CG1-CG1 4.3Å; V127-V154 HydrophobicContact CG2-CG1 4.44Å; R150-V154 WeakPolarHBondContact O-CG2 3.36Å; R150-V154 PolarHBondContact O-N 3.39Å; A151-V154 PolarHBondContact O-N 3.05Å; W152-V154 PolarHBondContact O-N 3.4Å; V154-G156 VanDerWaalsContact C-N 3.32Å; V154-G156 PolarHBondContact O-N 3.27Å; V154-C157 PolarHBondContact O-N 2.91Å; V154-I158 HydrophobicContact CG1-CD1 3.93Å; V154-I158 HydrophobicContact CG1-CG1 4.43Å; V154-I158 WeakPolarHBondContact O-CG1 3.22Å; V154-I158 PolarHBondContact O-N 2.82Å |
| 155 | C | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 172.3 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | V71 W72 N75 F124 A151 W152 L153 C157 I158 W159 | V71-C155 VanDerWaalsContact CG1-SG 3.57Å; W72-C155 VanDerWaalsContact CE3-SG 3.57Å; W72-C155 VanDerWaalsContact CZ3-SG 3.52Å; N75-C155 PolarHBondContact ND2-SG 2.97Å; F124-C155 HydrophobicContact CE1-CB 4.17Å; F124-C155 HydrophobicContact CZ-CB 4.39Å; A151-C155 PolarHBondContact O-N 3.48Å; A151-C155 PolarHBondContact O-SG 3.44Å; A151-C155 VanDerWaalsContact O-SG 3.34Å; W152-C155 HydrophobicContact CE3-CB 4.38Å; W152-C155 WeakPolarHBondContact O-CB 3.5Å; W152-C155 PolarHBondContact O-N 3.08Å; L153-C155 VanDerWaalsContact C-N 3.34Å; L153-C155 PolarHBondContact O-N 3.36Å; C155-C157 VanDerWaalsContact C-N 3.34Å; C155-C157 PolarHBondContact O-N 2.63Å; C155-I158 PolarHBondContact O-N 3.4Å; C155-W159 PolarHBondContact O-N 3.18Å |
| 156 | G | 98.2 | Very high | 96.4 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.1 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W152 L153 V154 I158 W159 L160 | W152-G156 PolarHBondContact O-N 2.81Å; L153-G156 PolarHBondContact O-N 3.26Å; L153-G156 VanDerWaalsContact O-N 3.15Å; V154-G156 VanDerWaalsContact C-N 3.32Å; V154-G156 PolarHBondContact O-N 3.27Å; G156-I158 PolarHBondContact O-N 3.5Å; G156-W159 PolarHBondContact O-N 3.29Å; G156-L160 WeakPolarHBondContact O-CB 3.36Å; G156-L160 PolarHBondContact O-N 3.18Å |
| 157 | C | 98.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 46% | 0.459 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | L153 V154 C155 L160 T161 | L153-C157 PolarHBondContact O-N 3.05Å; L153-C157 PolarHBondContact O-SG 3.18Å; L153-C157 VanDerWaalsContact O-SG 3.4Å; V154-C157 PolarHBondContact O-N 2.91Å; C155-C157 VanDerWaalsContact C-N 3.34Å; C155-C157 PolarHBondContact O-N 2.63Å; C157-L160 PolarHBondContact O-N 3.06Å; C157-T161 WeakPolarHBondContact O-CB 3.47Å; C157-T161 PolarHBondContact O-N 2.95Å; C157-T161 PolarHBondContact O-OG1 3.38Å |
| 158 | I | 98.3 | Very high | 96.6 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 176.7 | -70.4 | 165.5 | 0 | 0 | 0 | 110.4 | L123 F124 V127 V154 C155 G156 L160 T161 A162 | L123-I158 HydrophobicContact CB-CG1 4.46Å; L123-I158 HydrophobicContact CB-CG2 3.71Å; L123-I158 HydrophobicContact CD1-CG2 4.19Å; F124-I158 HydrophobicContact CD1-CD1 3.61Å; F124-I158 HydrophobicContact CD1-CG2 4.25Å; F124-I158 HydrophobicContact CD2-CG2 4.12Å; F124-I158 HydrophobicContact CE1-CB 4.08Å; F124-I158 HydrophobicContact CE1-CD1 3.49Å; F124-I158 VanDerWaalsContact CE1-CD1 3.49Å; F124-I158 HydrophobicContact CE1-CG1 4.41Å; F124-I158 HydrophobicContact CE1-CG2 3.89Å; F124-I158 HydrophobicContact CE2-CG2 3.76Å; F124-I158 HydrophobicContact CG-CD1 4.47Å; F124-I158 HydrophobicContact CG-CG2 4.32Å; F124-I158 HydrophobicContact CZ-CB 4.02Å; F124-I158 HydrophobicContact CZ-CD1 4.3Å; F124-I158 HydrophobicContact CZ-CG2 3.61Å; V127-I158 HydrophobicContact CB-CD1 4.36Å; V127-I158 HydrophobicContact CG2-CD1 3.89Å; V154-I158 HydrophobicContact CG1-CD1 3.93Å; V154-I158 HydrophobicContact CG1-CG1 4.43Å; V154-I158 WeakPolarHBondContact O-CG1 3.22Å; V154-I158 PolarHBondContact O-N 2.82Å; C155-I158 PolarHBondContact O-N 3.4Å; G156-I158 PolarHBondContact O-N 3.5Å; I158-L160 PolarHBondContact O-N 2.9Å; I158-T161 PolarHBondContact O-N 2.95Å; I158-A162 WeakPolarHBondContact O-CB 3.04Å; I158-A162 PolarHBondContact O-N 3.01Å |
| 159 | W | 98.4 | Very high | 96.6 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 177.7 | -82 | 116.6 | 0 | 0 | 0 | 112 | N75 I78 A79 M116 A120 F124 C155 G156 T161 A162 A163 | N75-W159 PolarHBondContact OD1-NE1 3.11Å; I78-W159 HydrophobicContact CG2-CZ2 4.22Å; A79-W159 HydrophobicContact CB-CH2 3.71Å; A79-W159 HydrophobicContact CB-CZ2 4.24Å; M116-W159 HydrophobicContact CE-CZ3 4.1Å; M116-W159 HydrophobicContact CG-CZ3 4.36Å; M116-W159 HydrophobicContact SD-CE3 4.39Å; M116-W159 HydrophobicContact SD-CZ3 4.29Å; A120-W159 HydrophobicContact CB-CE3 4.5Å; A120-W159 HydrophobicContact CB-CH2 4.48Å; A120-W159 HydrophobicContact CB-CZ3 4.18Å; F124-W159 HydrophobicContact CE2-CZ2 4.32Å; F124-W159 AromaticContact CZ-NE1 3.8Å; C155-W159 PolarHBondContact O-N 3.18Å; G156-W159 PolarHBondContact O-N 3.29Å; W159-T161 PolarHBondContact O-N 3.27Å; W159-A162 PolarHBondContact O-N 2.87Å; W159-A163 VanDerWaalsContact O-CB 3.31Å; W159-A163 WeakPolarHBondContact O-CB 3.36Å; W159-A163 PolarHBondContact O-N 3.12Å |
| 160 | L | 98.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 54 Ų | 54 | 58% | 0.576 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 176.3 | 179.8 | 62.4 | 0 | 0 | 0 | 111.3 | G156 C157 I158 A163 L164 | G156-L160 WeakPolarHBondContact O-CB 3.36Å; G156-L160 PolarHBondContact O-N 3.18Å; C157-L160 PolarHBondContact O-N 3.06Å; I158-L160 PolarHBondContact O-N 2.9Å; L160-A163 PolarHBondContact O-N 3.26Å; L160-L164 HydrophobicContact CD1-CD1 4.24Å; L160-L164 HydrophobicContact CD1-CG 4.29Å; L160-L164 HydrophobicContact CG-CD1 4.06Å; L160-L164 WeakPolarHBondContact O-CB 3.33Å; L160-L164 VanDerWaalsContact O-CG 3.25Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.26Å |
| 161 | T | 98 | Very high | 96.5 | Very high | 63 Ų | 63 | 52 Ų | 52 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | L123 C157 I158 W159 L164 L165 | L123-T161 HydrophobicContact CD1-CG2 4.21Å; C157-T161 WeakPolarHBondContact O-CB 3.47Å; C157-T161 PolarHBondContact O-N 2.95Å; C157-T161 PolarHBondContact O-OG1 3.38Å; I158-T161 PolarHBondContact O-N 2.95Å; W159-T161 PolarHBondContact O-N 3.27Å; T161-L164 PolarHBondContact O-N 3.22Å; T161-L165 HydrophobicContact CG2-CD1 3.94Å; T161-L165 HydrophobicContact CG2-CG 4.43Å; T161-L165 WeakPolarHBondContact O-CB 3.38Å; T161-L165 VanDerWaalsContact O-CG 3.28Å; T161-L165 WeakPolarHBondContact O-CG 3.24Å; T161-L165 PolarHBondContact O-N 2.98Å |
| 162 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M116 A120 I158 W159 L165 S166 | M116-A162 HydrophobicContact CG-CB 4.23Å; A120-A162 HydrophobicContact CB-CB 4.06Å; I158-A162 WeakPolarHBondContact O-CB 3.04Å; I158-A162 PolarHBondContact O-N 3.01Å; W159-A162 PolarHBondContact O-N 2.87Å; A162-L165 PolarHBondContact O-N 2.97Å; A162-S166 VanDerWaalsContact O-CB 3.3Å; A162-S166 WeakPolarHBondContact O-CB 3.36Å; A162-S166 PolarHBondContact O-N 2.95Å; A162-S166 PolarHBondContact O-OG 3.48Å |
| 163 | A | 98 | Very high | 96 | Very high | 32 Ų | 32 | 50 Ų | 50 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F112 M116 W159 L160 S166 C167 | F112-A163 HydrophobicContact CZ-CB 4.18Å; M116-A163 HydrophobicContact SD-CB 4.15Å; W159-A163 VanDerWaalsContact O-CB 3.31Å; W159-A163 WeakPolarHBondContact O-CB 3.36Å; W159-A163 PolarHBondContact O-N 3.12Å; L160-A163 PolarHBondContact O-N 3.26Å; A163-S166 PolarHBondContact O-N 3.47Å; A163-C167 PolarHBondContact O-N 3.21Å |
| 164 | L | 97.6 | Very high | 95.6 | Very high | 113 Ų | 113 | 46.5 Ų | 46.5 | 59% | 0.592 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 175.6 | -73.1 | 172.3 | 0 | 0 | 0 | 111.5 | L160 T161 S166 C167 | L160-L164 HydrophobicContact CD1-CD1 4.24Å; L160-L164 HydrophobicContact CD1-CG 4.29Å; L160-L164 HydrophobicContact CG-CD1 4.06Å; L160-L164 WeakPolarHBondContact O-CB 3.33Å; L160-L164 VanDerWaalsContact O-CG 3.25Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.26Å; T161-L164 PolarHBondContact O-N 3.22Å; L164-S166 PolarHBondContact O-N 3.22Å; L164-C167 WeakPolarHBondContact O-CB 3.26Å; L164-C167 PolarHBondContact O-N 3.06Å; L164-C167 PolarHBondContact O-SG 3.14Å |
| 165 | L | 96.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.1 | -22.8 | 176.7 | -70.8 | 170.8 | 0 | 0 | 0 | 112.9 | Y119 T161 A162 H168 V211 | Y119-L165 HydrophobicContact CD1-CB 4.37Å; Y119-L165 HydrophobicContact CD1-CD1 3.91Å; Y119-L165 HydrophobicContact CD2-CB 3.69Å; Y119-L165 HydrophobicContact CE1-CB 4.35Å; Y119-L165 HydrophobicContact CE1-CD1 4.13Å; Y119-L165 HydrophobicContact CE2-CB 3.64Å; Y119-L165 WeakPolarHBondContact CE2-O 3.45Å; Y119-L165 HydrophobicContact CG-CB 4.07Å; Y119-L165 HydrophobicContact CG-CD1 4.18Å; T161-L165 HydrophobicContact CG2-CD1 3.94Å; T161-L165 HydrophobicContact CG2-CG 4.43Å; T161-L165 WeakPolarHBondContact O-CB 3.38Å; T161-L165 VanDerWaalsContact O-CG 3.28Å; T161-L165 WeakPolarHBondContact O-CG 3.24Å; T161-L165 PolarHBondContact O-N 2.98Å; A162-L165 PolarHBondContact O-N 2.97Å; L165-H168 PolarHBondContact O-CD2 3.45Å; L165-H168 PolarHBondContact O-NE2 2.94Å; L165-H168 VanDerWaalsContact O-NE2 3.15Å; L165-V211 HydrophobicContact CD1-CG1 3.6Å; L165-V211 HydrophobicContact CD2-CG1 4.43Å |
| 166 | S | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -92.5 | -10 | 180 | -53.1 | 0 | 0 | 0 | 0 | 113.3 | F112 M116 A162 A163 L164 H168 A169 | F112-S166 WeakPolarHBondContact CD2-O 3.18Å; M116-S166 WeakPolarHBondContact CA-OG 3.37Å; M116-S166 PolarHBondContact N-OG 3.15Å; M116-S166 VanDerWaalsContact N-OG 3.1Å; A162-S166 VanDerWaalsContact O-CB 3.3Å; A162-S166 WeakPolarHBondContact O-CB 3.36Å; A162-S166 PolarHBondContact O-N 2.95Å; A162-S166 PolarHBondContact O-OG 3.48Å; A163-S166 PolarHBondContact O-N 3.47Å; L164-S166 PolarHBondContact O-N 3.22Å; S166-H168 PolarHBondContact O-N 2.81Å; S166-H168 VanDerWaalsContact O-N 3.11Å; S166-A169 WeakPolarHBondContact O-CB 3.3Å; S166-A169 PolarHBondContact O-N 3.21Å |
| 167 | C | 95.9 | Very high | 94.2 | Very high | 60 Ų | 60 | 54 Ų | 54 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -27.2 | -173 | 78.8 | 0 | 0 | 0 | 0 | 112.8 | A163 L164 A169 L170 V171 | A163-C167 PolarHBondContact O-N 3.21Å; L164-C167 WeakPolarHBondContact O-CB 3.26Å; L164-C167 PolarHBondContact O-N 3.06Å; L164-C167 PolarHBondContact O-SG 3.14Å; C167-A169 PolarHBondContact O-N 2.87Å; C167-A169 VanDerWaalsContact O-N 3.16Å; C167-L170 WeakPolarHBondContact O-CB 3.34Å; C167-L170 PolarHBondContact O-N 3.24Å; C167-V171 PolarHBondContact O-N 2.86Å |
| 168 | H | 91.8 | Very high | 93.5 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 18% | 0.181 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.9 | -29.8 | 176 | 68.3 | 73.2 | 0 | 0 | 0 | 111.9 | L165 S166 L170 V171 F172 L204 | L165-H168 PolarHBondContact O-CD2 3.45Å; L165-H168 PolarHBondContact O-NE2 2.94Å; L165-H168 VanDerWaalsContact O-NE2 3.15Å; S166-H168 PolarHBondContact O-N 2.81Å; S166-H168 VanDerWaalsContact O-N 3.11Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.46Å; H168-V171 PolarHBondContact O-N 3.27Å; H168-F172 HydrophobicContact CB-CD2 3.96Å; H168-F172 HydrophobicContact CB-CE2 4.14Å; H168-F172 VanDerWaalsContact O-CD2 3.28Å; H168-F172 WeakPolarHBondContact O-CD2 3.39Å; H168-F172 PolarHBondContact O-N 3.33Å; H168-L204 HydrophobicContact CB-CD2 3.78Å |
| 169 | A | 91.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F112 V115 S166 C167 V171 R173 | F112-A169 HydrophobicContact CB-CB 4.33Å; V115-A169 HydrophobicContact CG2-CB 4.41Å; S166-A169 WeakPolarHBondContact O-CB 3.3Å; S166-A169 PolarHBondContact O-N 3.21Å; C167-A169 PolarHBondContact O-N 2.87Å; C167-A169 VanDerWaalsContact O-N 3.16Å; A169-V171 VanDerWaalsContact C-N 3.35Å; A169-R173 HydrophobicContact CB-CG 4.46Å; A169-R173 WeakPolarHBondContact O-CB 3.41Å; A169-R173 WeakPolarHBondContact O-CG 3.45Å; A169-R173 PolarHBondContact O-N 2.99Å |
| 170 | L | 94.2 | Very high | 92.2 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72 | -32.4 | 175.7 | -62.6 | 174.4 | 0 | 0 | 0 | 111.9 | K108 F112 C167 H168 | K108-L170 HydrophobicContact CB-CD2 4.02Å; K108-L170 WeakPolarHBondContact CD-O 3.25Å; K108-L170 PolarHBondContact NZ-O 3.23Å; F112-L170 HydrophobicContact CB-CD2 3.59Å; F112-L170 HydrophobicContact CB-CG 3.93Å; F112-L170 HydrophobicContact CD2-CD1 3.72Å; F112-L170 HydrophobicContact CD2-CD2 4.17Å; F112-L170 HydrophobicContact CD2-CG 3.63Å; F112-L170 HydrophobicContact CE2-CD1 3.99Å; F112-L170 HydrophobicContact CE2-CG 4.39Å; F112-L170 HydrophobicContact CG-CD1 4.16Å; F112-L170 HydrophobicContact CG-CD2 3.92Å; F112-L170 HydrophobicContact CG-CG 3.92Å; C167-L170 WeakPolarHBondContact O-CB 3.34Å; C167-L170 PolarHBondContact O-N 3.24Å; H168-L170 VanDerWaalsContact C-N 3.32Å; H168-L170 PolarHBondContact O-N 3.46Å |
| 171 | V | 92.1 | Very high | 91.5 | Very high | 86 Ų | 86 | 59.9 Ų | 59.9 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -76.6 | -57.7 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | K108 C167 H168 A169 | K108-V171 PolarHBondContact NZ-O 3.43Å; C167-V171 PolarHBondContact O-N 2.86Å; H168-V171 PolarHBondContact O-N 3.27Å; A169-V171 VanDerWaalsContact C-N 3.35Å |
| 172 | F | 89.3 | Confident | 91.1 | Very high | 36 Ų | 36 | 57.9 Ų | 57.9 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -90.1 | -10 | -167.5 | -60.9 | -65.8 | 0 | 0 | 0 | 114.8 | H168 T186 N187 Y188 V190 I200 L204 | H168-F172 HydrophobicContact CB-CD2 3.96Å; H168-F172 HydrophobicContact CB-CE2 4.14Å; H168-F172 VanDerWaalsContact O-CD2 3.28Å; H168-F172 WeakPolarHBondContact O-CD2 3.39Å; H168-F172 PolarHBondContact O-N 3.33Å; F172-T186 HydrophobicContact CB-CG2 3.96Å; F172-T186 CarbonylContact O-C 3.57Å; F172-N187 PolarHBondContact O-N 2.94Å; F172-Y188 HydrophobicContact CB-CD1 4.32Å; F172-Y188 HydrophobicContact CB-CE1 4.31Å; F172-Y188 HydrophobicContact CD1-CD1 4.21Å; F172-Y188 HydrophobicContact CG-CD1 4.17Å; F172-Y188 HydrophobicContact CG-CE1 4.36Å; F172-V190 HydrophobicContact CD1-CG2 3.93Å; F172-V190 HydrophobicContact CE1-CG2 4.06Å; F172-I200 HydrophobicContact CE1-CD1 4.41Å; F172-I200 HydrophobicContact CE1-CG2 4.05Å; F172-I200 HydrophobicContact CE2-CG2 4.12Å; F172-I200 HydrophobicContact CZ-CG2 3.74Å; F172-L204 HydrophobicContact CD2-CD1 3.81Å; F172-L204 HydrophobicContact CE2-CD1 3.87Å |
| 173 | R | 91.3 | Very high | 90.5 | Very high | 38 Ų | 38 | 59.7 Ų | 59.7 | 14% | 0.143 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135.4 | 173.7 | -65.8 | -72.4 | -73.8 | 174.5 | -2.7 | 110.9 | K108 S111 A169 C184 Y185 T186 | K108-R173 WeakPolarHBondContact CE-O 3.42Å; K108-R173 HydrophobicContact CG-CB 4.03Å; K108-R173 WeakPolarHBondContact CG-O 3.42Å; K108-R173 PolarHBondContact NZ-O 2.94Å; S111-R173 PolarHBondContact OG-NE 2.66Å; S111-R173 PolarHBondContact OG-NH2 3.38Å; A169-R173 HydrophobicContact CB-CG 4.46Å; A169-R173 WeakPolarHBondContact O-CB 3.41Å; A169-R173 WeakPolarHBondContact O-CG 3.45Å; A169-R173 PolarHBondContact O-N 2.99Å; R173-C184 VanDerWaalsContact CZ-O 3.29Å; R173-C184 PolarHBondContact NH1-O 3.47Å; R173-C184 PolarHBondContact NH2-O 3.49Å; R173-C184 PolarHBondContact NH2-SG 3.17Å; R173-Y185 WeakPolarHBondContact CA-O 3.4Å; R173-Y185 VanDerWaalsContact NH1-CA 3.29Å; R173-Y185 PolarHBondContact NH1-O 3.11Å; R173-T186 PolarHBondContact NH1-OG1 3.22Å |
| 174 | D | 90.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 58.5 Ų | 58.5 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 172.7 | -174.8 | -153 | -2.8 | 0 | 0 | 0 | 111.5 | C107 Y185 N187 | C107-D174 PolarHBondContact SG-O 3.3Å; D174-Y185 HydrophobicContact CB-CD1 4.41Å; D174-Y185 HydrophobicContact CB-CE1 3.86Å; D174-Y185 PolarHBondContact N-O 3.13Å; D174-Y185 WeakPolarHBondContact O-CD1 3Å; D174-Y185 PolarHBondContact O-N 3.19Å; D174-N187 HydrophobicContact CB-CB 3.8Å; D174-N187 PolarHBondContact OD2-ND2 3.36Å; D174-N187 VanDerWaalsContact OD2-ND2 3.16Å |
| 175 | I | 89.6 | Confident | 89.5 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.1 | 175.2 | 61.1 | 174.7 | 0 | 0 | 0 | 111.6 | L104 C107 V182 L183 | L104-I175 HydrophobicContact CB-CD1 4.12Å; L104-I175 HydrophobicContact CB-CG1 4.42Å; L104-I175 HydrophobicContact CD1-CG1 4.3Å; L104-I175 HydrophobicContact CD1-CG2 4.2Å; C107-I175 HydrophobicContact CB-CG2 4.12Å; I175-V182 HydrophobicContact CB-CG1 4.07Å; I175-V182 HydrophobicContact CG2-CG1 4.41Å; I175-L183 CarbonylContact C-O 3.58Å; I175-L183 WeakPolarHBondContact CA-O 3.42Å |
| 176 | L | 87.3 | Confident | 88.9 | Confident | 69 Ų | 69 | 56.5 Ų | 56.5 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.1 | 177.6 | -173.9 | 66.5 | 0 | 0 | 0 | 110.2 | V178 V182 L183 Y185 | L176-V178 HydrophobicContact CD2-CG2 3.49Å; L176-V178 VanDerWaalsContact CD2-CG2 3.49Å; L176-V178 HydrophobicContact CG-CG2 3.61Å; L176-V182 CarbonylContact O-C 3.52Å; L176-V182 WeakPolarHBondContact O-CA 3.34Å; L176-L183 HydrophobicContact CB-CB 4.47Å; L176-L183 PolarHBondContact N-O 3.23Å; L176-L183 PolarHBondContact O-N 3.42Å; L176-Y185 HydrophobicContact CB-CD1 3.74Å; L176-Y185 HydrophobicContact CB-CE1 3.5Å; L176-Y185 HydrophobicContact CG-CE1 4.49Å |
| 177 | H | 87.3 | Confident | 88.3 | Confident | 140 Ų | 140 | 58.1 Ų | 58.1 | 65% | 0.648 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114 | 175.4 | -65.8 | 70.2 | 0 | 0 | 0 | 109.1 | K181 | H177-K181 CarbonylContact C-O 3.59Å; H177-K181 WeakPolarHBondContact CA-O 3.36Å |
| 178 | V | 82.7 | Confident | 87.6 | Confident | 57 Ų | 57 | 57.2 Ų | 57.2 | 35% | 0.345 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 124.5 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | L176 G180 K181 L183 | L176-V178 HydrophobicContact CD2-CG2 3.49Å; L176-V178 VanDerWaalsContact CD2-CG2 3.49Å; L176-V178 HydrophobicContact CG-CG2 3.61Å; V178-G180 VanDerWaalsContact C-N 3.26Å; V178-G180 PolarHBondContact O-N 3.45Å; V178-G180 VanDerWaalsContact O-N 3.14Å; V178-K181 PolarHBondContact N-O 3.05Å; V178-K181 WeakPolarHBondContact O-CA 3.09Å; V178-K181 WeakPolarHBondContact O-CB 3.37Å; V178-K181 PolarHBondContact O-N 3.48Å; V178-L183 HydrophobicContact CB-CD1 4.29Å; V178-L183 HydrophobicContact CG2-CD1 3.94Å |
| 179 | N | 84.6 | Confident | 86.8 | Confident | 160 Ų | 160 | 58.3 Ų | 58.3 | 86% | 0.856 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.8 | 174.4 | -61.6 | -26.2 | 0 | 0 | 0 | 114.2 | K181 | N179-K181 PolarHBondContact O-N 3.13Š|
| 180 | G | 84.4 | Confident | 85.5 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 3.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | V178 | V178-G180 VanDerWaalsContact C-N 3.26Å; V178-G180 PolarHBondContact O-N 3.45Å; V178-G180 VanDerWaalsContact O-N 3.14Å |
| 181 | K | 84.9 | Confident | 83.7 | Confident | 84 Ų | 84 | 63 Ų | 63 | 37% | 0.365 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 147.8 | 173 | -64.1 | -174.8 | 177.5 | -175.8 | 0 | 112.2 | D97 H99 H177 V178 N179 | D97-K181 PolarHBondContact O-NZ 2.85Å; H99-K181 WeakPolarHBondContact ND1-CA 3.16Å; H177-K181 CarbonylContact C-O 3.59Å; H177-K181 WeakPolarHBondContact CA-O 3.36Å; V178-K181 PolarHBondContact N-O 3.05Å; V178-K181 WeakPolarHBondContact O-CA 3.09Å; V178-K181 WeakPolarHBondContact O-CB 3.37Å; V178-K181 PolarHBondContact O-N 3.48Å; N179-K181 PolarHBondContact O-N 3.13Å |
| 182 | V | 89.1 | Confident | 82.1 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.1 | 172.3 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | H99 W100 I175 L176 | H99-V182 PolarHBondContact ND1-N 3.22Å; W100-V182 HydrophobicContact CB-CG1 4.49Å; W100-V182 WeakPolarHBondContact CB-O 3.15Å; W100-V182 PolarHBondContact N-O 3.29Å; I175-V182 HydrophobicContact CB-CG1 4.07Å; I175-V182 HydrophobicContact CG2-CG1 4.41Å; L176-V182 CarbonylContact O-C 3.52Å; L176-V182 WeakPolarHBondContact O-CA 3.34Å |
| 183 | L | 86.1 | Confident | 81 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.7 | 178.7 | -64.5 | 165.1 | 0 | 0 | 0 | 109.8 | F98 I175 L176 V178 | F98-L183 HydrophobicContact CB-CD2 4.22Å; F98-L183 WeakPolarHBondContact O-CD2 3.18Å; I175-L183 CarbonylContact C-O 3.58Å; I175-L183 WeakPolarHBondContact CA-O 3.42Å; L176-L183 HydrophobicContact CB-CB 4.47Å; L176-L183 PolarHBondContact N-O 3.23Å; L176-L183 PolarHBondContact O-N 3.42Å; V178-L183 HydrophobicContact CB-CD1 4.29Å; V178-L183 HydrophobicContact CG2-CD1 3.94Å |
| 184 | C | 88.1 | Confident | 79.8 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 5% | 0.054 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 101.5 | 170.5 | 173.1 | 0 | 0 | 0 | 0 | 108.3 | W100 C107 R173 | W100-C184 HydrophobicContact CB-CB 3.98Å; W100-C184 HydrophobicContact CD2-CB 3.7Å; W100-C184 HydrophobicContact CE3-CB 4.02Å; W100-C184 HydrophobicContact CG-CB 3.67Å; C107-C184 WeakPolarHBondContact CA-SG 3.48Å; C107-C184 HydrophobicContact CB-CB 3.97Å; C107-C184 WeakPolarHBondContact CB-SG 3.49Å; C107-C184 VanDerWaalsContact SG-CA 3.57Å; C107-C184 WeakPolarHBondContact SG-CB 3.46Å; C107-C184 CovalentContact SG-SG 2.02Å; C107-C184 PolarHBondContact SG-SG 2.98Å; R173-C184 VanDerWaalsContact CZ-O 3.29Å; R173-C184 PolarHBondContact NH1-O 3.47Å; R173-C184 PolarHBondContact NH2-O 3.49Å; R173-C184 PolarHBondContact NH2-SG 3.17Å |
| 185 | Y | 85.3 | Confident | 78.5 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 175.7 | -166.2 | 85.6 | -66.8 | 0 | 0 | 0 | 112.1 | R173 D174 L176 N187 | R173-Y185 WeakPolarHBondContact CA-O 3.4Å; R173-Y185 VanDerWaalsContact NH1-CA 3.29Å; R173-Y185 PolarHBondContact NH1-O 3.11Å; D174-Y185 HydrophobicContact CB-CD1 4.41Å; D174-Y185 HydrophobicContact CB-CE1 3.86Å; D174-Y185 PolarHBondContact N-O 3.13Å; D174-Y185 WeakPolarHBondContact O-CD1 3Å; D174-Y185 PolarHBondContact O-N 3.19Å; L176-Y185 HydrophobicContact CB-CD1 3.74Å; L176-Y185 HydrophobicContact CB-CE1 3.5Å; L176-Y185 HydrophobicContact CG-CE1 4.49Å; Y185-N187 HydrophobicContact CE2-CB 3.99Å |
| 186 | T | 84.8 | Confident | 77.9 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 29% | 0.288 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 118.2 | 178.5 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | F172 R173 Y188 | F172-T186 HydrophobicContact CB-CG2 3.96Å; F172-T186 CarbonylContact O-C 3.57Å; R173-T186 PolarHBondContact NH1-OG1 3.22Å; T186-Y188 HydrophobicContact CG2-CD1 4.02Å; T186-Y188 HydrophobicContact CG2-CD2 4.47Å; T186-Y188 HydrophobicContact CG2-CE1 3.35Å; T186-Y188 HydrophobicContact CG2-CE2 3.9Å; T186-Y188 WeakPolarHBondContact CG2-OH 3.32Å |
| 187 | N | 85 | Confident | 77.6 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | trans | -102.5 | 103.6 | -179 | -176.1 | -0.6 | 0 | 0 | 0 | 110.4 | F172 D174 Y185 H189 | F172-N187 PolarHBondContact O-N 2.94Å; D174-N187 HydrophobicContact CB-CB 3.8Å; D174-N187 PolarHBondContact OD2-ND2 3.36Å; D174-N187 VanDerWaalsContact OD2-ND2 3.16Å; Y185-N187 HydrophobicContact CE2-CB 3.99Å; N187-H189 PolarHBondContact OD1-N 2.8Å | ||
| 188 | Y | 80.6 | Confident | 77.3 | Confident | 41 Ų | 41 | 67 Ų | 67 | 16% | 0.161 | 38% | 0.38 | C | S | . | . | trans | -90.6 | -3.3 | 175.8 | -59.7 | -54.7 | 0 | 0 | 0 | 113.7 | F172 T186 V190 A197 I200 H201 L204 | F172-Y188 HydrophobicContact CB-CD1 4.32Å; F172-Y188 HydrophobicContact CB-CE1 4.31Å; F172-Y188 HydrophobicContact CD1-CD1 4.21Å; F172-Y188 HydrophobicContact CG-CD1 4.17Å; F172-Y188 HydrophobicContact CG-CE1 4.36Å; T186-Y188 HydrophobicContact CG2-CD1 4.02Å; T186-Y188 HydrophobicContact CG2-CD2 4.47Å; T186-Y188 HydrophobicContact CG2-CE1 3.35Å; T186-Y188 HydrophobicContact CG2-CE2 3.9Å; T186-Y188 WeakPolarHBondContact CG2-OH 3.32Å; Y188-V190 PolarHBondContact O-N 3.39Å; Y188-V190 VanDerWaalsContact O-N 3.17Å; Y188-A197 WeakPolarHBondContact O-CB 3.07Å; Y188-I200 HydrophobicContact CD1-CG2 3.76Å; Y188-I200 HydrophobicContact CE1-CG2 4.32Å; Y188-I200 HydrophobicContact CG-CG2 4.48Å; Y188-H201 HydrophobicContact CD2-CB 3.75Å; Y188-H201 HydrophobicContact CE2-CB 3.66Å; Y188-H201 AromaticContact CE2-CD2 3.27Å; Y188-H201 WeakPolarHBondContact CE2-CD2 3.36Å; Y188-H201 AromaticContact CE2-CG 3.48Å; Y188-H201 VanDerWaalsContact CE2-CG 3.48Å; Y188-H201 AromaticContact CE2-NE2 3.98Å; Y188-H201 HydrophobicContact CG-CB 4.34Å; Y188-H201 AromaticContact CZ-CD2 3.51Å; Y188-H201 PolarHBondContact OH-CD2 3.32Å; Y188-H201 VanDerWaalsContact OH-CD2 3.3Å; Y188-L204 HydrophobicContact CD1-CD1 4.22Å; Y188-L204 HydrophobicContact CE1-CD1 3.48Å; Y188-L204 VanDerWaalsContact CE1-CD1 3.48Å | ||
| 189 | H | 74.5 | Confident | 77.5 | Confident | 61 Ų | 61 | 68 Ų | 68 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | trans | -86.9 | 31.2 | -175.8 | -69.5 | -76.9 | 0 | 0 | 0 | 113.8 | Y13 N187 T191 H194 A197 | Y13-H189 AromaticContact CD1-CE1 3.89Å; N187-H189 PolarHBondContact OD1-N 2.8Å; H189-T191 PolarHBondContact O-N 3.33Å; H189-T191 VanDerWaalsContact O-N 3.1Å; H189-H194 AromaticContact CE1-CE1 3.97Å; H189-H194 AromaticContact CE1-ND1 3.24Å; H189-H194 PolarHBondContact CE1-ND1 3.13Å; H189-H194 AromaticContact ND1-ND1 3.6Å; H189-A197 VanDerWaalsContact CE1-CB 3.43Å; H189-A197 WeakPolarHBondContact CE1-CB 3.5Å | ||
| 190 | V | 63.5 | Low | 77.6 | Confident | 94 Ų | 94 | 62.2 Ų | 62.2 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -61.9 | -23 | -177 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | F172 Y188 | F172-V190 HydrophobicContact CD1-CG2 3.93Å; F172-V190 HydrophobicContact CE1-CG2 4.06Å; Y188-V190 PolarHBondContact O-N 3.39Å; Y188-V190 VanDerWaalsContact O-N 3.17Å |
| 191 | T | 58.2 | Low | 77.7 | Confident | 80 Ų | 80 | 59.8 Ų | 59.8 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -118.8 | 130.4 | 169.8 | -35.5 | 0 | 0 | 0 | 0 | 106.3 | H189 Q193 | H189-T191 PolarHBondContact O-N 3.33Å; H189-T191 VanDerWaalsContact O-N 3.1Å; T191-Q193 PolarHBondContact O-N 2.86Å |
| 192 | N | 57.8 | Low | 78 | Confident | 163 Ų | 163 | 58.8 Ų | 58.8 | 87% | 0.872 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -62.3 | 31.3 | -170.9 | -67.5 | -34.3 | 0 | 0 | 0 | 116.2 | ||
| 193 | Q | 66.9 | Low | 78.1 | Confident | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | trans | -122.8 | 116.7 | 179.8 | -71.8 | -179.1 | -17.8 | 0 | 0 | 109.9 | T191 T195 T196 A197 | T191-Q193 PolarHBondContact O-N 2.86Å; Q193-T195 VanDerWaalsContact C-N 3.32Å; Q193-T195 PolarHBondContact O-N 3.41Å; Q193-T196 WeakPolarHBondContact CB-OG1 3.35Å; Q193-T196 WeakPolarHBondContact O-CB 3.01Å; Q193-T196 PolarHBondContact O-N 3.19Å; Q193-T196 VanDerWaalsContact O-N 3.09Å; Q193-A197 PolarHBondContact O-N 3.41Å | ||
| 194 | H | 64.1 | Low | 78.4 | Confident | 64 Ų | 64 | 61.9 Ų | 61.9 | 30% | 0.296 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | -177.9 | -71.2 | -62.2 | 0 | 0 | 0 | 114.4 | Y13 H189 T196 A197 A198 | Y13-H194 WeakPolarHBondContact CB-CE1 3.46Å; Y13-H194 WeakPolarHBondContact CB-ND1 3.45Å; Y13-H194 AromaticContact CD1-ND1 3.58Å; Y13-H194 HydrophobicContact CD2-CB 3.87Å; Y13-H194 AromaticContact CD2-CD2 3.58Å; Y13-H194 AromaticContact CD2-CE1 3.13Å; Y13-H194 WeakPolarHBondContact CD2-CE1 3.32Å; Y13-H194 AromaticContact CD2-CG 3.17Å; Y13-H194 AromaticContact CD2-ND1 2.86Å; Y13-H194 WeakPolarHBondContact CD2-ND1 3.11Å; Y13-H194 AromaticContact CD2-NE2 3.57Å; Y13-H194 HydrophobicContact CE1-CB 4.04Å; Y13-H194 AromaticContact CE1-ND1 3.99Å; Y13-H194 HydrophobicContact CE2-CB 3.29Å; Y13-H194 AromaticContact CE2-CD2 3.69Å; Y13-H194 AromaticContact CE2-CE1 3.96Å; Y13-H194 AromaticContact CE2-CG 3.14Å; Y13-H194 AromaticContact CE2-ND1 3.34Å; Y13-H194 VanDerWaalsContact CE2-ND1 3.34Å; Y13-H194 WeakPolarHBondContact CE2-ND1 3.28Å; Y13-H194 HydrophobicContact CG-CB 4.44Å; Y13-H194 AromaticContact CG-CE1 3.34Å; Y13-H194 AromaticContact CG-CG 3.77Å; Y13-H194 AromaticContact CG-ND1 2.99Å; Y13-H194 VanDerWaalsContact CZ-CB 3.41Å; Y13-H194 AromaticContact CZ-CG 3.74Å; Y13-H194 AromaticContact CZ-ND1 3.89Å; H189-H194 AromaticContact CE1-CE1 3.97Å; H189-H194 AromaticContact CE1-ND1 3.24Å; H189-H194 PolarHBondContact CE1-ND1 3.13Å; H189-H194 AromaticContact ND1-ND1 3.6Å; H194-T196 PolarHBondContact O-N 3.29Å; H194-A197 PolarHBondContact O-N 3.05Å; H194-A198 PolarHBondContact O-N 2.91Å |
| 195 | T | 63 | Low | 78.5 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62 | -32.1 | 174.8 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | Q193 T199 | Q193-T195 VanDerWaalsContact C-N 3.32Å; Q193-T195 PolarHBondContact O-N 3.41Å; T195-T199 WeakPolarHBondContact O-CB 3.05Å; T195-T199 PolarHBondContact O-N 3.42Å; T195-T199 PolarHBondContact O-OG1 3.35Å |
| 196 | T | 78 | Confident | 78.9 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.5 | -39.7 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | Q193 H194 T199 I200 | Q193-T196 WeakPolarHBondContact CB-OG1 3.35Å; Q193-T196 WeakPolarHBondContact O-CB 3.01Å; Q193-T196 PolarHBondContact O-N 3.19Å; Q193-T196 VanDerWaalsContact O-N 3.09Å; H194-T196 PolarHBondContact O-N 3.29Å; T196-T199 PolarHBondContact O-N 2.94Å; T196-I200 HydrophobicContact CG2-CD1 3.94Å; T196-I200 HydrophobicContact CG2-CG1 4.48Å; T196-I200 VanDerWaalsContact O-CG1 3.27Å; T196-I200 WeakPolarHBondContact O-CG1 3.45Å; T196-I200 PolarHBondContact O-N 3.26Å |
| 197 | A | 80.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y188 H189 Q193 H194 T199 I200 H201 | Y188-A197 WeakPolarHBondContact O-CB 3.07Å; H189-A197 VanDerWaalsContact CE1-CB 3.43Å; H189-A197 WeakPolarHBondContact CE1-CB 3.5Å; Q193-A197 PolarHBondContact O-N 3.41Å; H194-A197 PolarHBondContact O-N 3.05Å; A197-T199 VanDerWaalsContact C-N 3.3Å; A197-T199 PolarHBondContact O-N 2.94Å; A197-I200 PolarHBondContact O-N 3.01Å; A197-H201 WeakPolarHBondContact O-CB 3.22Å; A197-H201 PolarHBondContact O-N 3.21Å |
| 198 | A | 82.1 | Confident | 79.8 | Confident | 51 Ų | 51 | 62 Ų | 62 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H194 H201 T202 | H194-A198 PolarHBondContact O-N 2.91Å; A198-H201 PolarHBondContact O-N 3.09Å; A198-T202 WeakPolarHBondContact O-CB 3.46Å; A198-T202 PolarHBondContact O-N 3.42Å; A198-T202 PolarHBondContact O-OG1 3.11Å |
| 199 | T | 85.8 | Confident | 80.5 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | T195 T196 A197 H201 T202 I203 | T195-T199 WeakPolarHBondContact O-CB 3.05Å; T195-T199 PolarHBondContact O-N 3.42Å; T195-T199 PolarHBondContact O-OG1 3.35Å; T196-T199 PolarHBondContact O-N 2.94Å; A197-T199 VanDerWaalsContact C-N 3.3Å; A197-T199 PolarHBondContact O-N 2.94Å; T199-H201 VanDerWaalsContact C-N 3.35Å; T199-H201 PolarHBondContact O-N 3.47Å; T199-T202 PolarHBondContact O-N 2.98Å; T199-I203 HydrophobicContact CG2-CD1 3.84Å; T199-I203 HydrophobicContact CG2-CG1 4.5Å; T199-I203 VanDerWaalsContact O-CG1 3.27Å; T199-I203 WeakPolarHBondContact O-CG1 3.35Å; T199-I203 PolarHBondContact O-N 3.01Å |
| 200 | I | 87.5 | Confident | 81.4 | Confident | 37 Ų | 37 | 62 Ų | 62 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 176.2 | -70.8 | 167.1 | 0 | 0 | 0 | 110.4 | F172 Y188 T196 A197 T202 I203 L204 | F172-I200 HydrophobicContact CE1-CD1 4.41Å; F172-I200 HydrophobicContact CE1-CG2 4.05Å; F172-I200 HydrophobicContact CE2-CG2 4.12Å; F172-I200 HydrophobicContact CZ-CG2 3.74Å; Y188-I200 HydrophobicContact CD1-CG2 3.76Å; Y188-I200 HydrophobicContact CE1-CG2 4.32Å; Y188-I200 HydrophobicContact CG-CG2 4.48Å; T196-I200 HydrophobicContact CG2-CD1 3.94Å; T196-I200 HydrophobicContact CG2-CG1 4.48Å; T196-I200 VanDerWaalsContact O-CG1 3.27Å; T196-I200 WeakPolarHBondContact O-CG1 3.45Å; T196-I200 PolarHBondContact O-N 3.26Å; A197-I200 PolarHBondContact O-N 3.01Å; I200-T202 VanDerWaalsContact C-N 3.35Å; I200-T202 PolarHBondContact O-N 3.41Å; I200-I203 PolarHBondContact O-N 3.34Å; I200-L204 HydrophobicContact CG2-CD1 3.78Å; I200-L204 HydrophobicContact CG2-CG 4.3Å; I200-L204 WeakPolarHBondContact O-CG 3.3Å; I200-L204 PolarHBondContact O-N 3.23Å |
| 201 | H | 87.2 | Confident | 82.9 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 178.9 | -175 | -150.5 | 0 | 0 | 0 | 111.5 | Y188 A197 A198 T199 I203 L204 V205 E268 | Y188-H201 HydrophobicContact CD2-CB 3.75Å; Y188-H201 HydrophobicContact CE2-CB 3.66Å; Y188-H201 AromaticContact CE2-CD2 3.27Å; Y188-H201 WeakPolarHBondContact CE2-CD2 3.36Å; Y188-H201 AromaticContact CE2-CG 3.48Å; Y188-H201 VanDerWaalsContact CE2-CG 3.48Å; Y188-H201 AromaticContact CE2-NE2 3.98Å; Y188-H201 HydrophobicContact CG-CB 4.34Å; Y188-H201 AromaticContact CZ-CD2 3.51Å; Y188-H201 PolarHBondContact OH-CD2 3.32Å; Y188-H201 VanDerWaalsContact OH-CD2 3.3Å; A197-H201 WeakPolarHBondContact O-CB 3.22Å; A197-H201 PolarHBondContact O-N 3.21Å; A198-H201 PolarHBondContact O-N 3.09Å; T199-H201 VanDerWaalsContact C-N 3.35Å; T199-H201 PolarHBondContact O-N 3.47Å; H201-I203 PolarHBondContact O-N 2.74Å; H201-L204 PolarHBondContact O-N 2.9Å; H201-V205 WeakPolarHBondContact O-CG2 3.45Å; H201-V205 PolarHBondContact O-N 2.82Å; H201-E268 IonicContact NE2-OE2 3.73Å |
| 202 | T | 90 | Very high | 84.5 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | A198 T199 I200 S206 L269 | A198-T202 WeakPolarHBondContact O-CB 3.46Å; A198-T202 PolarHBondContact O-N 3.42Å; A198-T202 PolarHBondContact O-OG1 3.11Å; T199-T202 PolarHBondContact O-N 2.98Å; I200-T202 VanDerWaalsContact C-N 3.35Å; I200-T202 PolarHBondContact O-N 3.41Å; T202-S206 WeakPolarHBondContact O-CB 3.47Å; T202-S206 PolarHBondContact O-N 3.02Å; T202-S206 PolarHBondContact O-OG 3.1Å; T202-L269 HydrophobicContact CG2-CD1 4.28Å |
| 203 | I | 91.8 | Very high | 86.3 | Confident | 94 Ų | 94 | 49.2 Ų | 49.2 | 48% | 0.482 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 177.6 | -70.9 | 167.4 | 0 | 0 | 0 | 110.3 | T199 I200 H201 S206 V207 | T199-I203 HydrophobicContact CG2-CD1 3.84Å; T199-I203 HydrophobicContact CG2-CG1 4.5Å; T199-I203 VanDerWaalsContact O-CG1 3.27Å; T199-I203 WeakPolarHBondContact O-CG1 3.35Å; T199-I203 PolarHBondContact O-N 3.01Å; I200-I203 PolarHBondContact O-N 3.34Å; H201-I203 PolarHBondContact O-N 2.74Å; I203-S206 PolarHBondContact O-N 3.48Å; I203-V207 HydrophobicContact CG2-CG2 4.2Å; I203-V207 WeakPolarHBondContact O-CB 3.41Å; I203-V207 VanDerWaalsContact O-CG2 3.27Å; I203-V207 WeakPolarHBondContact O-CG2 3.15Å; I203-V207 PolarHBondContact O-N 3.13Å |
| 204 | L | 91.5 | Very high | 87.6 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | -177.9 | -69.1 | 173.9 | 0 | 0 | 0 | 112.2 | H168 F172 Y188 I200 H201 S206 R208 | H168-L204 HydrophobicContact CB-CD2 3.78Å; F172-L204 HydrophobicContact CD2-CD1 3.81Å; F172-L204 HydrophobicContact CE2-CD1 3.87Å; Y188-L204 HydrophobicContact CD1-CD1 4.22Å; Y188-L204 HydrophobicContact CE1-CD1 3.48Å; Y188-L204 VanDerWaalsContact CE1-CD1 3.48Å; I200-L204 HydrophobicContact CG2-CD1 3.78Å; I200-L204 HydrophobicContact CG2-CG 4.3Å; I200-L204 WeakPolarHBondContact O-CG 3.3Å; I200-L204 PolarHBondContact O-N 3.23Å; H201-L204 PolarHBondContact O-N 2.9Å; L204-S206 VanDerWaalsContact C-N 3.35Å; L204-R208 WeakPolarHBondContact O-CB 3.42Å; L204-R208 PolarHBondContact O-N 3.41Å |
| 205 | V | 91.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | H201 R208 L209 G265 L269 | H201-V205 WeakPolarHBondContact O-CG2 3.45Å; H201-V205 PolarHBondContact O-N 2.82Å; V205-R208 PolarHBondContact O-N 3.12Å; V205-L209 WeakPolarHBondContact O-CB 3.4Å; V205-L209 PolarHBondContact O-N 3.33Å; V205-G265 WeakPolarHBondContact CG1-O 3.4Å; V205-L269 HydrophobicContact CB-CD1 4.15Å; V205-L269 HydrophobicContact CB-CD2 4.26Å; V205-L269 HydrophobicContact CB-CG 4.44Å; V205-L269 HydrophobicContact CG1-CD1 3.86Å; V205-L269 HydrophobicContact CG1-CG 4.2Å; V205-L269 HydrophobicContact CG2-CD2 4.04Å |
| 206 | S | 93.7 | Very high | 90.6 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | -179.6 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | T202 I203 L204 L209 T210 | T202-S206 WeakPolarHBondContact O-CB 3.47Å; T202-S206 PolarHBondContact O-N 3.02Å; T202-S206 PolarHBondContact O-OG 3.1Å; I203-S206 PolarHBondContact O-N 3.48Å; L204-S206 VanDerWaalsContact C-N 3.35Å; S206-L209 PolarHBondContact O-N 3.43Å; S206-T210 VanDerWaalsContact O-CB 3.28Å; S206-T210 WeakPolarHBondContact O-CB 3.45Å; S206-T210 PolarHBondContact O-N 2.64Å; S206-T210 PolarHBondContact O-OG1 3.26Å |
| 207 | V | 94.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 110 | I203 L209 T210 V211 | I203-V207 HydrophobicContact CG2-CG2 4.2Å; I203-V207 WeakPolarHBondContact O-CB 3.41Å; I203-V207 VanDerWaalsContact O-CG2 3.27Å; I203-V207 WeakPolarHBondContact O-CG2 3.15Å; I203-V207 PolarHBondContact O-N 3.13Å; V207-L209 PolarHBondContact O-N 3.43Å; V207-T210 PolarHBondContact O-N 3.29Å; V207-V211 HydrophobicContact CG1-CG2 4.26Å; V207-V211 WeakPolarHBondContact O-CB 3.41Å; V207-V211 PolarHBondContact O-N 3.02Å |
| 208 | R | 94.1 | Very high | 92 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.5 | -179.3 | 176.6 | 70.8 | -179.6 | -1.2 | 112.3 | M118 Y119 L204 V205 G212 | M118-R208 HydrophobicContact CE-CG 3.81Å; M118-R208 HydrophobicContact SD-CG 4.24Å; Y119-R208 WeakPolarHBondContact OH-CA 3.43Å; L204-R208 WeakPolarHBondContact O-CB 3.42Å; L204-R208 PolarHBondContact O-N 3.41Å; V205-R208 PolarHBondContact O-N 3.12Å; R208-G212 WeakPolarHBondContact O-CA 3.48Å; R208-G212 PolarHBondContact O-N 3.23Å |
| 209 | L | 94.8 | Very high | 92.5 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 176.5 | 174.3 | 64.4 | 0 | 0 | 0 | 111.3 | V205 S206 V207 F213 L214 H262 | V205-L209 WeakPolarHBondContact O-CB 3.4Å; V205-L209 PolarHBondContact O-N 3.33Å; S206-L209 PolarHBondContact O-N 3.43Å; V207-L209 PolarHBondContact O-N 3.43Å; L209-F213 HydrophobicContact CD1-CB 4.47Å; L209-F213 HydrophobicContact CD1-CD1 4.45Å; L209-F213 WeakPolarHBondContact O-CA 3.36Å; L209-F213 VanDerWaalsContact O-CB 3.26Å; L209-F213 WeakPolarHBondContact O-CB 3.21Å; L209-F213 PolarHBondContact O-N 3.3Å; L209-L214 HydrophobicContact CD1-CD1 4.32Å; L209-L214 HydrophobicContact CD1-CG 4.15Å; L209-L214 HydrophobicContact CD2-CD1 4.25Å; L209-L214 HydrophobicContact CG-CD1 3.89Å; L209-L214 HydrophobicContact CG-CG 4.15Å; L209-L214 PolarHBondContact O-N 2.91Å; L209-H262 HydrophobicContact CD1-CB 3.87Å |
| 210 | T | 94.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -72 | -53.8 | -174.5 | -56 | 0 | 0 | 0 | 0 | 111.3 | S206 V207 L214 L215 | S206-T210 VanDerWaalsContact O-CB 3.28Å; S206-T210 WeakPolarHBondContact O-CB 3.45Å; S206-T210 PolarHBondContact O-N 2.64Å; S206-T210 PolarHBondContact O-OG1 3.26Å; V207-T210 PolarHBondContact O-N 3.29Å; T210-L214 PolarHBondContact O-N 3.49Å; T210-L215 VanDerWaalsContact O-CB 3.29Å; T210-L215 WeakPolarHBondContact O-CB 3.25Å; T210-L215 PolarHBondContact O-N 3.16Å |
| 211 | V | 94.5 | Very high | 93 | Very high | 44 Ų | 44 | 44 Ų | 44 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -82.3 | -36.3 | -174.1 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | Y119 L165 V207 P216 | Y119-V211 HydrophobicContact CE1-CB 4.4Å; Y119-V211 HydrophobicContact CE1-CG1 4.35Å; L165-V211 HydrophobicContact CD1-CG1 3.6Å; L165-V211 HydrophobicContact CD2-CG1 4.43Å; V207-V211 HydrophobicContact CG1-CG2 4.26Å; V207-V211 WeakPolarHBondContact O-CB 3.41Å; V207-V211 PolarHBondContact O-N 3.02Å; V211-P216 VanDerWaalsContact O-CD 3.23Å; V211-P216 WeakPolarHBondContact O-CD 3.19Å; V211-P216 WeakPolarHBondContact O-CG 3.43Å |
| 212 | G | 92.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -81.1 | -16.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R208 | R208-G212 WeakPolarHBondContact O-CA 3.48Å; R208-G212 PolarHBondContact O-N 3.23Å |
| 213 | F | 93.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -139.4 | -65.9 | -173.3 | -165.7 | -94.8 | 0 | 0 | 0 | 114.2 | L209 P216 L217 F255 W258 A259 H262 | L209-F213 HydrophobicContact CD1-CB 4.47Å; L209-F213 HydrophobicContact CD1-CD1 4.45Å; L209-F213 WeakPolarHBondContact O-CA 3.36Å; L209-F213 VanDerWaalsContact O-CB 3.26Å; L209-F213 WeakPolarHBondContact O-CB 3.21Å; L209-F213 PolarHBondContact O-N 3.3Å; F213-P216 WeakPolarHBondContact O-CD 3.5Å; F213-L217 HydrophobicContact CE1-CD2 3.95Å; F213-L217 WeakPolarHBondContact O-CB 3.32Å; F213-L217 PolarHBondContact O-N 2.91Å; F213-F255 AromaticContact CD2-CD1 3.84Å; F213-F255 HydrophobicContact CD2-CD1 3.84Å; F213-F255 HydrophobicContact CD2-CE1 4.22Å; F213-F255 HydrophobicContact CE2-CB 4.37Å; F213-F255 AromaticContact CE2-CD1 3.52Å; F213-F255 HydrophobicContact CE2-CD1 3.52Å; F213-F255 HydrophobicContact CE2-CE1 4.32Å; F213-F255 HydrophobicContact CE2-CG 4.44Å; F213-F255 HydrophobicContact CG-CD1 4.49Å; F213-F255 AromaticContact CZ-CD1 3.86Å; F213-F255 HydrophobicContact CZ-CD1 3.86Å; F213-W258 HydrophobicContact CD2-CB 4.37Å; F213-W258 HydrophobicContact CE2-CB 4.42Å; F213-A259 HydrophobicContact CE2-CB 3.9Å; F213-A259 HydrophobicContact CZ-CB 3.66Å; F213-H262 AromaticContact CD2-CD2 3.23Å; F213-H262 WeakPolarHBondContact CD2-CD2 3.38Å; F213-H262 AromaticContact CD2-NE2 3.72Å; F213-H262 AromaticContact CE2-CD2 3.99Å; F213-H262 AromaticContact CG-CD2 3.59Å |
| 214 | L | 95.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -66.5 | -46.7 | -168.1 | -65.1 | 176.2 | 0 | 0 | 0 | 113.7 | L209 T210 L217 S218 | L209-L214 HydrophobicContact CD1-CD1 4.32Å; L209-L214 HydrophobicContact CD1-CG 4.15Å; L209-L214 HydrophobicContact CD2-CD1 4.25Å; L209-L214 HydrophobicContact CG-CD1 3.89Å; L209-L214 HydrophobicContact CG-CG 4.15Å; L209-L214 PolarHBondContact O-N 2.91Å; T210-L214 PolarHBondContact O-N 3.49Å; L214-L217 PolarHBondContact O-N 3.29Å; L214-S218 WeakPolarHBondContact O-CB 3.49Å; L214-S218 PolarHBondContact O-N 3.05Å; L214-S218 PolarHBondContact O-OG 2.86Å |
| 215 | L | 94.8 | Very high | 93 | Very high | 99 Ų | 99 | 44.8 Ų | 44.8 | 52% | 0.518 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -50.5 | 179.3 | 179.5 | 155.1 | 0 | 0 | 0 | 111 | T210 L217 S218 A219 | T210-L215 VanDerWaalsContact O-CB 3.29Å; T210-L215 WeakPolarHBondContact O-CB 3.25Å; T210-L215 PolarHBondContact O-N 3.16Å; L215-L217 VanDerWaalsContact C-N 3.35Å; L215-L217 PolarHBondContact O-N 3.29Å; L215-S218 PolarHBondContact O-N 2.74Å; L215-S218 PolarHBondContact O-OG 3.06Å; L215-A219 PolarHBondContact O-N 2.8Å |
| 216 | P | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 171.6 | -29.5 | 36.6 | 0 | 0 | 0 | 114.1 | V122 T126 V211 F213 S218 A219 I220 F255 | V122-P216 HydrophobicContact CB-CG 4.46Å; V122-P216 HydrophobicContact CG1-CG 4.03Å; V122-P216 HydrophobicContact CG2-CB 3.35Å; V122-P216 HydrophobicContact CG2-CG 3.58Å; T126-P216 WeakPolarHBondContact OG1-CB 3.3Å; V211-P216 VanDerWaalsContact O-CD 3.23Å; V211-P216 WeakPolarHBondContact O-CD 3.19Å; V211-P216 WeakPolarHBondContact O-CG 3.43Å; F213-P216 WeakPolarHBondContact O-CD 3.5Å; P216-S218 VanDerWaalsContact C-N 3.3Å; P216-S218 PolarHBondContact O-N 2.92Å; P216-A219 PolarHBondContact O-N 2.97Å; P216-I220 VanDerWaalsContact O-CB 3.28Å; P216-I220 WeakPolarHBondContact O-CB 3.48Å; P216-I220 WeakPolarHBondContact O-CG1 3.35Å; P216-I220 PolarHBondContact O-N 3.11Å; P216-F255 HydrophobicContact CB-CZ 4.34Å |
| 217 | L | 94 | Very high | 92.7 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 178.5 | -179.7 | 61.4 | 0 | 0 | 0 | 110.9 | F213 L214 L215 S221 F255 | F213-L217 HydrophobicContact CE1-CD2 3.95Å; F213-L217 WeakPolarHBondContact O-CB 3.32Å; F213-L217 PolarHBondContact O-N 2.91Å; L214-L217 PolarHBondContact O-N 3.29Å; L215-L217 VanDerWaalsContact C-N 3.35Å; L215-L217 PolarHBondContact O-N 3.29Å; L217-S221 WeakPolarHBondContact O-CB 3.14Å; L217-S221 PolarHBondContact O-N 3.15Å; L217-S221 PolarHBondContact O-OG 2.87Å; L217-F255 HydrophobicContact CB-CD1 4.13Å; L217-F255 HydrophobicContact CB-CE1 3.49Å; L217-F255 VanDerWaalsContact CB-CE1 3.49Å; L217-F255 HydrophobicContact CB-CE2 4.45Å; L217-F255 HydrophobicContact CB-CZ 3.69Å; L217-F255 HydrophobicContact CD1-CD1 3.8Å; L217-F255 HydrophobicContact CD1-CD2 3.72Å; L217-F255 HydrophobicContact CD1-CE1 3.85Å; L217-F255 HydrophobicContact CD1-CE2 3.74Å; L217-F255 HydrophobicContact CD1-CG 3.76Å; L217-F255 HydrophobicContact CD1-CZ 3.83Å; L217-F255 HydrophobicContact CG-CD1 4.4Å; L217-F255 HydrophobicContact CG-CE1 4.19Å; L217-F255 HydrophobicContact CG-CZ 4.37Å |
| 218 | S | 93.6 | Very high | 92.3 | Very high | 63 Ų | 63 | 46 Ų | 46 | 44% | 0.441 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 177.9 | 76.2 | 0 | 0 | 0 | 0 | 111.6 | L214 L215 P216 I220 S221 V222 | L214-S218 WeakPolarHBondContact O-CB 3.49Å; L214-S218 PolarHBondContact O-N 3.05Å; L214-S218 PolarHBondContact O-OG 2.86Å; L215-S218 PolarHBondContact O-N 2.74Å; L215-S218 PolarHBondContact O-OG 3.06Å; P216-S218 VanDerWaalsContact C-N 3.3Å; P216-S218 PolarHBondContact O-N 2.92Å; S218-I220 PolarHBondContact O-N 3.32Å; S218-S221 PolarHBondContact O-N 2.84Å; S218-V222 WeakPolarHBondContact O-CB 3.39Å; S218-V222 VanDerWaalsContact O-CG2 3.25Å; S218-V222 WeakPolarHBondContact O-CG2 3.36Å; S218-V222 PolarHBondContact O-N 2.93Å |
| 219 | A | 93.8 | Very high | 92 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T126 L215 P216 T223 | T126-A219 HydrophobicContact CG2-CB 4.06Å; L215-A219 PolarHBondContact O-N 2.8Å; P216-A219 PolarHBondContact O-N 2.97Å; A219-T223 WeakPolarHBondContact O-CB 3.4Å; A219-T223 WeakPolarHBondContact O-CG2 3.34Å; A219-T223 PolarHBondContact O-N 3.32Å; A219-T223 PolarHBondContact O-OG1 3.46Å |
| 220 | I | 93.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 178.3 | -68.4 | 168.9 | 0 | 0 | 0 | 111 | L125 T126 P216 S218 T223 G224 I251 F255 | L125-I220 HydrophobicContact CB-CD1 4.43Å; T126-I220 HydrophobicContact CG2-CG1 4.49Å; P216-I220 VanDerWaalsContact O-CB 3.28Å; P216-I220 WeakPolarHBondContact O-CB 3.48Å; P216-I220 WeakPolarHBondContact O-CG1 3.35Å; P216-I220 PolarHBondContact O-N 3.11Å; S218-I220 PolarHBondContact O-N 3.32Å; I220-T223 WeakPolarHBondContact CA-OG1 3.49Å; I220-T223 PolarHBondContact O-N 3.37Å; I220-T223 PolarHBondContact O-OG1 3.09Å; I220-T223 VanDerWaalsContact O-OG1 3.06Å; I220-G224 PolarHBondContact O-N 2.94Å; I220-I251 HydrophobicContact CG2-CB 4.44Å; I220-I251 HydrophobicContact CG2-CD1 3.82Å; I220-I251 HydrophobicContact CG2-CG1 4.27Å; I220-I251 HydrophobicContact CG2-CG2 3.4Å; I220-I251 VanDerWaalsContact CG2-CG2 3.4Å; I220-F255 HydrophobicContact CD1-CE2 3.84Å; I220-F255 HydrophobicContact CD1-CZ 3.91Å |
| 221 | S | 90.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 177.6 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | L217 S218 G224 I225 | L217-S221 WeakPolarHBondContact O-CB 3.14Å; L217-S221 PolarHBondContact O-N 3.15Å; L217-S221 PolarHBondContact O-OG 2.87Å; S218-S221 PolarHBondContact O-N 2.84Å; S221-G224 PolarHBondContact O-N 3Å; S221-I225 WeakPolarHBondContact O-CB 3.4Å; S221-I225 WeakPolarHBondContact O-CD1 3.46Å; S221-I225 WeakPolarHBondContact O-CG1 3.5Å; S221-I225 PolarHBondContact O-N 3.44Å |
| 222 | V | 92.5 | Very high | 90.8 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -51.4 | 177 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | S218 G224 I225 L226 | S218-V222 WeakPolarHBondContact O-CB 3.39Å; S218-V222 VanDerWaalsContact O-CG2 3.25Å; S218-V222 WeakPolarHBondContact O-CG2 3.36Å; S218-V222 PolarHBondContact O-N 2.93Å; V222-G224 VanDerWaalsContact C-N 3.31Å; V222-G224 PolarHBondContact O-N 3.37Å; V222-I225 PolarHBondContact O-N 3.45Å; V222-L226 HydrophobicContact CG1-CD1 3.87Å; V222-L226 HydrophobicContact CG1-CG 4.36Å; V222-L226 WeakPolarHBondContact O-CB 3.42Å; V222-L226 VanDerWaalsContact O-CG 3.25Å; V222-L226 WeakPolarHBondContact O-CG 3.33Å; V222-L226 PolarHBondContact O-N 2.88Å |
| 223 | T | 91.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 179.7 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | S129 V130 A219 I220 L227 | S129-T223 PolarHBondContact OG-OG1 3.03Å; V130-T223 HydrophobicContact CG2-CG2 3.97Å; A219-T223 WeakPolarHBondContact O-CB 3.4Å; A219-T223 WeakPolarHBondContact O-CG2 3.34Å; A219-T223 PolarHBondContact O-N 3.32Å; A219-T223 PolarHBondContact O-OG1 3.46Å; I220-T223 WeakPolarHBondContact CA-OG1 3.49Å; I220-T223 PolarHBondContact O-N 3.37Å; I220-T223 PolarHBondContact O-OG1 3.09Å; I220-T223 VanDerWaalsContact O-OG1 3.06Å; T223-L227 WeakPolarHBondContact O-CB 3.38Å; T223-L227 PolarHBondContact O-N 2.99Å |
| 224 | G | 87.8 | Confident | 90.2 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I220 S221 V222 S228 | I220-G224 PolarHBondContact O-N 2.94Å; S221-G224 PolarHBondContact O-N 3Å; V222-G224 VanDerWaalsContact C-N 3.31Å; V222-G224 PolarHBondContact O-N 3.37Å; G224-S228 WeakPolarHBondContact O-CB 3.39Å; G224-S228 PolarHBondContact O-N 3.11Å; G224-S228 PolarHBondContact O-OG 2.98Å |
| 225 | I | 88.5 | Confident | 89.6 | Confident | 102 Ų | 102 | 69.8 Ų | 69.8 | 52% | 0.523 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -49.8 | 174.8 | -70.4 | 164.1 | 0 | 0 | 0 | 109.8 | S221 V222 L227 S228 I229 | S221-I225 WeakPolarHBondContact O-CB 3.4Å; S221-I225 WeakPolarHBondContact O-CD1 3.46Å; S221-I225 WeakPolarHBondContact O-CG1 3.5Å; S221-I225 PolarHBondContact O-N 3.44Å; V222-I225 PolarHBondContact O-N 3.45Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.37Å; I225-S228 WeakPolarHBondContact O-CB 3.31Å; I225-S228 PolarHBondContact O-N 3.15Å; I225-S228 VanDerWaalsContact O-N 3.09Å; I225-I229 HydrophobicContact CG2-CD1 3.79Å; I225-I229 HydrophobicContact CG2-CG1 4.41Å; I225-I229 WeakPolarHBondContact O-CG1 3.49Å; I225-I229 PolarHBondContact O-N 2.75Å |
| 226 | L | 90.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 178.7 | -67.4 | 174.6 | 0 | 0 | 0 | 111.7 | Y133 V222 I229 K230 | Y133-L226 HydrophobicContact CD2-CB 3.93Å; Y133-L226 HydrophobicContact CE1-CD1 4.33Å; Y133-L226 HydrophobicContact CE2-CB 3.41Å; Y133-L226 VanDerWaalsContact CE2-CB 3.41Å; Y133-L226 HydrophobicContact CE2-CD1 4.34Å; Y133-L226 HydrophobicContact CE2-CG 4.48Å; V222-L226 HydrophobicContact CG1-CD1 3.87Å; V222-L226 HydrophobicContact CG1-CG 4.36Å; V222-L226 WeakPolarHBondContact O-CB 3.42Å; V222-L226 VanDerWaalsContact O-CG 3.25Å; V222-L226 WeakPolarHBondContact O-CG 3.33Å; V222-L226 PolarHBondContact O-N 2.88Å; L226-I229 PolarHBondContact O-N 3.17Å; L226-K230 WeakPolarHBondContact O-CB 3.41Å; L226-K230 PolarHBondContact O-N 2.6Å |
| 227 | L | 87.1 | Confident | 87.9 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.6 | 174.8 | 58.2 | 0 | 0 | 0 | 111.8 | Y133 L136 T223 I225 K230 V231 | Y133-L227 HydrophobicContact CD2-CB 4.29Å; L136-L227 HydrophobicContact CD1-CD1 3.21Å; L136-L227 HydrophobicContact CG-CD1 4.47Å; T223-L227 WeakPolarHBondContact O-CB 3.38Å; T223-L227 PolarHBondContact O-N 2.99Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.37Å; L227-K230 PolarHBondContact O-N 2.87Å; L227-V231 HydrophobicContact CD1-CG2 4.21Å; L227-V231 VanDerWaalsContact O-CG2 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.21Å; L227-V231 PolarHBondContact O-N 3.09Å |
| 228 | S | 86.3 | Confident | 87.2 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 179.7 | -61 | 0 | 0 | 0 | 0 | 112.1 | G224 I225 V231 R232 | G224-S228 WeakPolarHBondContact O-CB 3.39Å; G224-S228 PolarHBondContact O-N 3.11Å; G224-S228 PolarHBondContact O-OG 2.98Å; I225-S228 WeakPolarHBondContact O-CB 3.31Å; I225-S228 PolarHBondContact O-N 3.15Å; I225-S228 VanDerWaalsContact O-N 3.09Å; S228-V231 PolarHBondContact O-N 3.28Å; S228-R232 WeakPolarHBondContact O-CG 3.1Å; S228-R232 PolarHBondContact O-N 3.06Å |
| 229 | I | 88.2 | Confident | 86.3 | Confident | 77 Ų | 77 | 81.8 Ų | 81.8 | 40% | 0.395 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 174.6 | -68.8 | 167.6 | 0 | 0 | 0 | 110 | I225 L226 V231 R232 Q233 | I225-I229 HydrophobicContact CG2-CD1 3.79Å; I225-I229 HydrophobicContact CG2-CG1 4.41Å; I225-I229 WeakPolarHBondContact O-CG1 3.49Å; I225-I229 PolarHBondContact O-N 2.75Å; L226-I229 PolarHBondContact O-N 3.17Å; I229-V231 VanDerWaalsContact C-N 3.32Å; I229-V231 PolarHBondContact O-N 3.41Å; I229-R232 PolarHBondContact O-N 3.24Å; I229-R232 VanDerWaalsContact O-N 3.17Å; I229-Q233 HydrophobicContact CG2-CG 4.25Å; I229-Q233 WeakPolarHBondContact O-CG 3.32Å; I229-Q233 PolarHBondContact O-N 3.44Å |
| 230 | K | 86.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | -178.6 | -172.4 | 64.8 | 174.4 | -177.6 | 0 | 112.2 | V137 L226 L227 Q233 S234 | V137-K230 HydrophobicContact CG2-CG 4.25Å; L226-K230 WeakPolarHBondContact O-CB 3.41Å; L226-K230 PolarHBondContact O-N 2.6Å; L227-K230 PolarHBondContact O-N 2.87Å; K230-Q233 PolarHBondContact O-N 3.11Å; K230-S234 PolarHBondContact O-N 3.12Å; K230-S234 VanDerWaalsContact O-N 3.09Å |
| 231 | V | 86 | Confident | 84.5 | Confident | 28 Ų | 28 | 85.3 Ų | 85.3 | 17% | 0.17 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 175.9 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | L227 S228 I229 S234 V238 I240 | L227-V231 HydrophobicContact CD1-CG2 4.21Å; L227-V231 VanDerWaalsContact O-CG2 3.3Å; L227-V231 WeakPolarHBondContact O-CG2 3.21Å; L227-V231 PolarHBondContact O-N 3.09Å; S228-V231 PolarHBondContact O-N 3.28Å; I229-V231 VanDerWaalsContact C-N 3.32Å; I229-V231 PolarHBondContact O-N 3.41Å; V231-S234 PolarHBondContact O-N 2.76Å; V231-S234 PolarHBondContact O-OG 2.99Å; V231-V238 HydrophobicContact CG2-CG1 4.5Å; V231-I240 HydrophobicContact CG1-CD1 4.45Å; V231-I240 HydrophobicContact CG1-CG1 4.13Å; V231-I240 HydrophobicContact CG2-CD1 4.39Å; V231-I240 HydrophobicContact CG2-CG1 3.81Å |
| 232 | R | 86.6 | Confident | 83.8 | Confident | 209 Ų | 209 | 85.4 Ų | 85.4 | 79% | 0.789 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 177.3 | -72.5 | 177.4 | -178.6 | -165.3 | 1.4 | 112.3 | S228 I229 S234 R235 | S228-R232 WeakPolarHBondContact O-CG 3.1Å; S228-R232 PolarHBondContact O-N 3.06Å; I229-R232 PolarHBondContact O-N 3.24Å; I229-R232 VanDerWaalsContact O-N 3.17Å; R232-S234 PolarHBondContact O-N 3.17Å; R232-R235 PolarHBondContact O-N 3.37Å; R232-R235 VanDerWaalsContact O-N 3.15Å |
| 233 | Q | 88.7 | Confident | 83 | Confident | 132 Ų | 132 | 83.8 Ų | 83.8 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.7 | -28.9 | 178 | -74.2 | 176.8 | -13.4 | 0 | 0 | 112.8 | I229 K230 R235 | I229-Q233 HydrophobicContact CG2-CG 4.25Å; I229-Q233 WeakPolarHBondContact O-CG 3.32Å; I229-Q233 PolarHBondContact O-N 3.44Å; K230-Q233 PolarHBondContact O-N 3.11Å; Q233-R235 PolarHBondContact O-N 3.37Å; Q233-R235 VanDerWaalsContact O-N 3.11Å |
| 234 | S | 85.7 | Confident | 82.4 | Confident | 22 Ų | 22 | 83.4 Ų | 83.4 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1.3 | 177.5 | 79.7 | 0 | 0 | 0 | 0 | 114.3 | K230 V231 R232 G236 L237 V238 | K230-S234 PolarHBondContact O-N 3.12Å; K230-S234 VanDerWaalsContact O-N 3.09Å; V231-S234 PolarHBondContact O-N 2.76Å; V231-S234 PolarHBondContact O-OG 2.99Å; R232-S234 PolarHBondContact O-N 3.17Å; S234-G236 PolarHBondContact O-N 3.09Å; S234-L237 VanDerWaalsContact O-CB 3.31Å; S234-L237 WeakPolarHBondContact O-CB 3.43Å; S234-L237 WeakPolarHBondContact O-CD1 3.14Å; S234-L237 PolarHBondContact O-N 3.4Å; S234-V238 WeakPolarHBondContact OG-CB 3.47Å; S234-V238 PolarHBondContact OG-N 3.46Å; S234-V238 VanDerWaalsContact OG-N 3.08Å; S234-V238 PolarHBondContact OG-O 3.19Å |
| 235 | R | 82.3 | Confident | 82 | Confident | 230 Ų | 230 | 88.4 Ų | 88.4 | 87% | 0.868 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 35.5 | 179.4 | -62.2 | -174.2 | 177.7 | -175.1 | -0.6 | 113.7 | R232 Q233 | R232-R235 PolarHBondContact O-N 3.37Å; R232-R235 VanDerWaalsContact O-N 3.15Å; Q233-R235 PolarHBondContact O-N 3.37Å; Q233-R235 VanDerWaalsContact O-N 3.11Å |
| 236 | G | 77.2 | Confident | 81.6 | Confident | 47 Ų | 47 | 83.7 Ų | 83.7 | 49% | 0.485 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S234 V238 | S234-G236 PolarHBondContact O-N 3.09Å; G236-V238 VanDerWaalsContact C-N 3.32Å |
| 237 | L | 77.3 | Confident | 81.1 | Confident | 155 Ų | 155 | 80.6 Ų | 80.6 | 81% | 0.812 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -67.4 | -33.7 | 172.8 | -78.8 | 80.6 | 0 | 0 | 0 | 111.7 | S234 | S234-L237 VanDerWaalsContact O-CB 3.31Å; S234-L237 WeakPolarHBondContact O-CB 3.43Å; S234-L237 WeakPolarHBondContact O-CD1 3.14Å; S234-L237 PolarHBondContact O-N 3.4Å |
| 238 | V | 77.4 | Confident | 81 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 32% | 0.321 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -108.7 | 122.7 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 109 | L136 V231 S234 G236 | L136-V238 HydrophobicContact CD2-CG1 3.93Å; V231-V238 HydrophobicContact CG2-CG1 4.5Å; S234-V238 WeakPolarHBondContact OG-CB 3.47Å; S234-V238 PolarHBondContact OG-N 3.46Å; S234-V238 VanDerWaalsContact OG-N 3.08Å; S234-V238 PolarHBondContact OG-O 3.19Å; G236-V238 VanDerWaalsContact C-N 3.32Å |
| 239 | R | 75.4 | Confident | 81 | Confident | 213 Ų | 213 | 81.9 Ų | 81.9 | 80% | 0.804 | 40% | 0.4 | S | S | * | . | trans | -109.9 | 140 | 176.6 | -66.9 | -178.1 | -179.4 | -174.9 | -1.6 | 110.8 | S241 | R239-S241 PolarHBondContact O-N 3.08Š| ||
| 240 | I | 75.6 | Confident | 80.9 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | trans | -63.7 | 121.4 | 172.2 | -63 | 177.3 | 0 | 0 | 0 | 108.6 | V231 S244 K245 | V231-I240 HydrophobicContact CG1-CD1 4.45Å; V231-I240 HydrophobicContact CG1-CG1 4.13Å; V231-I240 HydrophobicContact CG2-CD1 4.39Å; V231-I240 HydrophobicContact CG2-CG1 3.81Å; I240-S244 VanDerWaalsContact CG2-CB 3.48Å; I240-K245 HydrophobicContact CG2-CG 3.76Å | ||
| 241 | S | 74.5 | Confident | 81 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | trans | -63.8 | 153.2 | 177.7 | 74.5 | 0 | 0 | 0 | 0 | 111.8 | R239 F243 S244 K245 | R239-S241 PolarHBondContact O-N 3.08Å; S241-F243 PolarHBondContact O-N 3.01Å; S241-S244 WeakPolarHBondContact O-CB 3.45Å; S241-S244 PolarHBondContact O-N 3.44Å; S241-S244 WeakPolarHBondContact OG-CB 3.48Å; S241-S244 PolarHBondContact OG-N 2.91Å; S241-S244 PolarHBondContact OG-OG 3.08Å; S241-K245 PolarHBondContact O-N 3.13Å; S241-K245 VanDerWaalsContact O-N 3.09Å | ||
| 242 | S | 74.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.5 | -34.7 | 172.9 | -157.4 | 0 | 0 | 0 | 0 | 111.8 | K245 T246 L306 | S242-K245 PolarHBondContact O-N 2.73Å; S242-T246 PolarHBondContact O-N 3.17Å; S242-T246 VanDerWaalsContact O-N 3.11Å; S242-T246 PolarHBondContact O-OG1 3.17Å; S242-L306 PolarHBondContact OG-O 3.43Å |
| 243 | F | 76 | Confident | 81.3 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 21% | 0.211 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 174.3 | 178.1 | -105.6 | 0 | 0 | 0 | 111.7 | N69 L73 L128 S241 K245 T246 V247 | N69-F243 HydrophobicContact CB-CE1 4.08Å; N69-F243 HydrophobicContact CB-CZ 3.79Å; N69-F243 VanDerWaalsContact ND2-CE1 3.35Å; N69-F243 WeakPolarHBondContact ND2-CE1 3.27Å; L73-F243 HydrophobicContact CD1-CE2 3.71Å; L73-F243 HydrophobicContact CD1-CZ 4.37Å; L73-F243 HydrophobicContact CG-CE2 4.34Å; L128-F243 HydrophobicContact CD1-CE1 4.25Å; L128-F243 HydrophobicContact CD1-CZ 4Å; S241-F243 PolarHBondContact O-N 3.01Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.4Å; F243-T246 WeakPolarHBondContact O-CA 3.26Å; F243-T246 VanDerWaalsContact O-CB 3.28Å; F243-T246 WeakPolarHBondContact O-CB 3.42Å; F243-T246 PolarHBondContact O-N 3.31Å; F243-V247 HydrophobicContact CD1-CG2 4.27Å; F243-V247 HydrophobicContact CE1-CG2 3.89Å; F243-V247 HydrophobicContact CE2-CG2 4.22Å; F243-V247 HydrophobicContact CZ-CG2 3.86Å; F243-V247 WeakPolarHBondContact O-CG2 3.33Å; F243-V247 PolarHBondContact O-N 3.49Å |
| 244 | S | 78.2 | Confident | 81.4 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -39.8 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | I240 S241 T246 V247 T248 | I240-S244 VanDerWaalsContact CG2-CB 3.48Å; S241-S244 WeakPolarHBondContact O-CB 3.45Å; S241-S244 PolarHBondContact O-N 3.44Å; S241-S244 WeakPolarHBondContact OG-CB 3.48Å; S241-S244 PolarHBondContact OG-N 2.91Å; S241-S244 PolarHBondContact OG-OG 3.08Å; S244-T246 VanDerWaalsContact C-N 3.31Å; S244-T246 PolarHBondContact O-N 2.97Å; S244-V247 PolarHBondContact O-N 2.96Å; S244-T248 PolarHBondContact O-N 2.02Å; S244-T248 PolarHBondContact O-OG1 2.79Å; S244-T248 VanDerWaalsContact O-OG1 3.11Å |
| 245 | K | 79.8 | Confident | 81.7 | Confident | 131 Ų | 131 | 62 Ų | 62 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 174.1 | -63.2 | -177.3 | -176 | -177.8 | 0 | 112.1 | I240 S241 S242 F243 T248 A249 | I240-K245 HydrophobicContact CG2-CG 3.76Å; S241-K245 PolarHBondContact O-N 3.13Å; S241-K245 VanDerWaalsContact O-N 3.09Å; S242-K245 PolarHBondContact O-N 2.73Å; F243-K245 VanDerWaalsContact C-N 3.31Å; F243-K245 PolarHBondContact O-N 3.4Å; K245-T248 PolarHBondContact O-N 2.97Å; K245-A249 PolarHBondContact O-N 2.84Å; K245-A249 VanDerWaalsContact O-N 3.09Å |
| 246 | T | 79.9 | Confident | 82.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 176.8 | -52.4 | 0 | 0 | 0 | 0 | 111 | S242 F243 S244 T248 A249 V250 Y303 L306 | S242-T246 PolarHBondContact O-N 3.17Å; S242-T246 VanDerWaalsContact O-N 3.11Å; S242-T246 PolarHBondContact O-OG1 3.17Å; F243-T246 WeakPolarHBondContact O-CA 3.26Å; F243-T246 VanDerWaalsContact O-CB 3.28Å; F243-T246 WeakPolarHBondContact O-CB 3.42Å; F243-T246 PolarHBondContact O-N 3.31Å; S244-T246 VanDerWaalsContact C-N 3.31Å; S244-T246 PolarHBondContact O-N 2.97Å; T246-T248 PolarHBondContact O-N 3.33Å; T246-A249 PolarHBondContact O-N 2.92Å; T246-V250 WeakPolarHBondContact O-CG2 3.28Å; T246-V250 PolarHBondContact O-N 3.42Å; T246-Y303 HydrophobicContact CG2-CD1 3.61Å; T246-Y303 HydrophobicContact CG2-CE1 4.25Å; T246-L306 HydrophobicContact CG2-CB 3.98Å; T246-L306 WeakPolarHBondContact OG1-CB 3.22Å; T246-L306 PolarHBondContact OG1-O 3.06Å |
| 247 | V | 80.7 | Confident | 83.1 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L128 F243 S244 A249 V250 I251 | L128-V247 HydrophobicContact CD1-CG2 4.39Å; L128-V247 HydrophobicContact CD2-CB 4.31Å; L128-V247 HydrophobicContact CD2-CG1 3.78Å; L128-V247 HydrophobicContact CD2-CG2 3.63Å; L128-V247 HydrophobicContact CG-CG1 3.8Å; L128-V247 HydrophobicContact CG-CG2 3.98Å; F243-V247 HydrophobicContact CD1-CG2 4.27Å; F243-V247 HydrophobicContact CE1-CG2 3.89Å; F243-V247 HydrophobicContact CE2-CG2 4.22Å; F243-V247 HydrophobicContact CZ-CG2 3.86Å; F243-V247 WeakPolarHBondContact O-CG2 3.33Å; F243-V247 PolarHBondContact O-N 3.49Å; S244-V247 PolarHBondContact O-N 2.96Å; V247-A249 VanDerWaalsContact C-N 3.32Å; V247-A249 PolarHBondContact O-N 3.18Å; V247-V250 PolarHBondContact O-N 3.35Å; V247-I251 HydrophobicContact CG1-CD1 3.71Å; V247-I251 HydrophobicContact CG1-CG1 4.45Å; V247-I251 WeakPolarHBondContact O-CB 3.34Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 3.25Å |
| 248 | T | 84 | Confident | 83.9 | Confident | 73 Ų | 73 | 48 Ų | 48 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 112 | S244 K245 T246 I251 L252 | S244-T248 PolarHBondContact O-N 2.02Å; S244-T248 PolarHBondContact O-OG1 2.79Å; S244-T248 VanDerWaalsContact O-OG1 3.11Å; K245-T248 PolarHBondContact O-N 2.97Å; T246-T248 PolarHBondContact O-N 3.33Å; T248-I251 PolarHBondContact O-N 3.46Å; T248-L252 HydrophobicContact CG2-CD1 4.27Å; T248-L252 WeakPolarHBondContact O-CG 3.18Å; T248-L252 PolarHBondContact O-N 2.91Å |
| 249 | A | 86.1 | Confident | 84.8 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K245 T246 V247 L252 A253 L302 L306 | K245-A249 PolarHBondContact O-N 2.84Å; K245-A249 VanDerWaalsContact O-N 3.09Å; T246-A249 PolarHBondContact O-N 2.92Å; V247-A249 VanDerWaalsContact C-N 3.32Å; V247-A249 PolarHBondContact O-N 3.18Å; A249-L252 PolarHBondContact O-N 3.47Å; A249-A253 WeakPolarHBondContact O-CB 3.47Å; A249-A253 PolarHBondContact O-N 2.97Å; A249-L302 HydrophobicContact CB-CD1 4.47Å; A249-L302 HydrophobicContact CB-CD2 4.21Å; A249-L306 HydrophobicContact CB-CD1 3.3Å |
| 250 | V | 86.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | L125 T246 V247 A253 F254 N299 L302 Y303 | L125-V250 HydrophobicContact CD1-CG1 4.47Å; L125-V250 HydrophobicContact CD2-CG1 3.49Å; L125-V250 VanDerWaalsContact CD2-CG1 3.49Å; T246-V250 WeakPolarHBondContact O-CG2 3.28Å; T246-V250 PolarHBondContact O-N 3.42Å; V247-V250 PolarHBondContact O-N 3.35Å; V250-A253 PolarHBondContact O-N 3.22Å; V250-F254 PolarHBondContact O-N 3.44Å; V250-N299 WeakPolarHBondContact CG1-OD1 3.26Å; V250-L302 HydrophobicContact CB-CD1 4.34Å; V250-L302 HydrophobicContact CG2-CB 3.79Å; V250-L302 HydrophobicContact CG2-CD1 3.77Å; V250-L302 HydrophobicContact CG2-CG 4.45Å; V250-Y303 HydrophobicContact CG2-CD1 4.3Å; V250-Y303 HydrophobicContact CG2-CE1 3.71Å |
| 251 | I | 87.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 7% | 0.072 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -48.5 | 174.1 | -77.4 | 165.7 | 0 | 0 | 0 | 111.3 | L125 I220 V247 T248 A253 F254 F255 | L125-I251 HydrophobicContact CB-CG1 4.4Å; L125-I251 HydrophobicContact CD2-CG1 4.38Å; I220-I251 HydrophobicContact CG2-CB 4.44Å; I220-I251 HydrophobicContact CG2-CD1 3.82Å; I220-I251 HydrophobicContact CG2-CG1 4.27Å; I220-I251 HydrophobicContact CG2-CG2 3.4Å; I220-I251 VanDerWaalsContact CG2-CG2 3.4Å; V247-I251 HydrophobicContact CG1-CD1 3.71Å; V247-I251 HydrophobicContact CG1-CG1 4.45Å; V247-I251 WeakPolarHBondContact O-CB 3.34Å; V247-I251 WeakPolarHBondContact O-CG1 3.44Å; V247-I251 PolarHBondContact O-N 3.25Å; T248-I251 PolarHBondContact O-N 3.46Å; I251-A253 VanDerWaalsContact C-N 3.32Å; I251-A253 PolarHBondContact O-N 3.32Å; I251-F254 WeakPolarHBondContact O-CB 3.14Å; I251-F254 PolarHBondContact O-N 2.94Å; I251-F255 HydrophobicContact CG2-CD2 4.09Å; I251-F255 HydrophobicContact CG2-CE2 3.97Å; I251-F255 VanDerWaalsContact O-CD2 3.22Å; I251-F255 WeakPolarHBondContact O-CD2 3.38Å; I251-F255 PolarHBondContact O-N 2.91Å |
| 252 | L | 89.1 | Confident | 87.5 | Confident | 102 Ų | 102 | 34.1 Ų | 34.1 | 53% | 0.534 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -42.3 | 179.4 | -70.8 | 171.7 | 0 | 0 | 0 | 111 | T248 A249 F254 F255 L256 | T248-L252 HydrophobicContact CG2-CD1 4.27Å; T248-L252 WeakPolarHBondContact O-CG 3.18Å; T248-L252 PolarHBondContact O-N 2.91Å; A249-L252 PolarHBondContact O-N 3.47Å; L252-F254 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 2.77Å; L252-F255 PolarHBondContact O-N 2.88Å; L252-L256 WeakPolarHBondContact O-CB 3.13Å; L252-L256 VanDerWaalsContact O-CG 3.26Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 2.92Å |
| 253 | A | 90.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A249 V250 I251 L256 C257 I298 L302 | A249-A253 WeakPolarHBondContact O-CB 3.47Å; A249-A253 PolarHBondContact O-N 2.97Å; V250-A253 PolarHBondContact O-N 3.22Å; I251-A253 VanDerWaalsContact C-N 3.32Å; I251-A253 PolarHBondContact O-N 3.32Å; A253-L256 PolarHBondContact O-N 3.02Å; A253-C257 VanDerWaalsContact O-CB 3.27Å; A253-C257 WeakPolarHBondContact O-CB 3.28Å; A253-C257 PolarHBondContact O-N 3.16Å; A253-C257 PolarHBondContact O-SG 3.2Å; A253-I298 HydrophobicContact CB-CD1 4.02Å; A253-I298 HydrophobicContact CB-CG2 3.82Å; A253-L302 HydrophobicContact CB-CD1 3.73Å |
| 254 | F | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -55 | 175.1 | 179.3 | -83.8 | 0 | 0 | 0 | 111.5 | V122 L125 V250 I251 L252 L256 C257 W258 N295 | V122-F254 HydrophobicContact CB-CE1 3.85Å; V122-F254 HydrophobicContact CB-CE2 3.89Å; V122-F254 HydrophobicContact CB-CZ 3.4Å; V122-F254 HydrophobicContact CG2-CD1 4.11Å; V122-F254 HydrophobicContact CG2-CE1 3.39Å; V122-F254 HydrophobicContact CG2-CE2 4.3Å; V122-F254 HydrophobicContact CG2-CZ 3.53Å; L125-F254 HydrophobicContact CD1-CB 3.54Å; L125-F254 HydrophobicContact CD1-CD2 3.66Å; L125-F254 HydrophobicContact CD1-CG 3.65Å; V250-F254 PolarHBondContact O-N 3.44Å; I251-F254 WeakPolarHBondContact O-CB 3.14Å; I251-F254 PolarHBondContact O-N 2.94Å; L252-F254 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 2.77Å; F254-L256 PolarHBondContact O-N 2.79Å; F254-C257 PolarHBondContact O-N 2.89Å; F254-W258 AromaticContact CD2-CD1 3.47Å; F254-W258 VanDerWaalsContact CD2-CD1 3.47Å; F254-W258 AromaticContact CD2-NE1 3.7Å; F254-W258 HydrophobicContact CE1-CB 4.27Å; F254-W258 AromaticContact CE1-CD1 3.88Å; F254-W258 HydrophobicContact CE1-CG 4.21Å; F254-W258 AromaticContact CE2-CD1 3.25Å; F254-W258 HydrophobicContact CE2-CG 4.1Å; F254-W258 AromaticContact CE2-NE1 3.31Å; F254-W258 VanDerWaalsContact CE2-NE1 3.31Å; F254-W258 AromaticContact CG-CD1 3.87Å; F254-W258 HydrophobicContact CZ-CB 4.36Å; F254-W258 AromaticContact CZ-CD1 3.42Å; F254-W258 VanDerWaalsContact CZ-CD1 3.42Å; F254-W258 HydrophobicContact CZ-CD2 4.48Å; F254-W258 AromaticContact CZ-CG 3.85Å; F254-W258 HydrophobicContact CZ-CG 3.85Å; F254-W258 AromaticContact CZ-NE1 3.84Å; F254-W258 WeakPolarHBondContact O-CB 3.22Å; F254-W258 VanDerWaalsContact O-CD1 3.28Å; F254-W258 PolarHBondContact O-N 3.37Å; F254-N295 VanDerWaalsContact CA-ND2 3.34Å; F254-N295 WeakPolarHBondContact CA-ND2 3.34Å; F254-N295 WeakPolarHBondContact CD2-OD1 3.06Å |
| 255 | F | 92.6 | Very high | 89.6 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | -176.7 | -70.3 | -65.3 | 0 | 0 | 0 | 112.7 | F213 P216 L217 I220 I251 L252 C257 A259 | F213-F255 AromaticContact CD2-CD1 3.84Å; F213-F255 HydrophobicContact CD2-CD1 3.84Å; F213-F255 HydrophobicContact CD2-CE1 4.22Å; F213-F255 HydrophobicContact CE2-CB 4.37Å; F213-F255 AromaticContact CE2-CD1 3.52Å; F213-F255 HydrophobicContact CE2-CD1 3.52Å; F213-F255 HydrophobicContact CE2-CE1 4.32Å; F213-F255 HydrophobicContact CE2-CG 4.44Å; F213-F255 HydrophobicContact CG-CD1 4.49Å; F213-F255 AromaticContact CZ-CD1 3.86Å; F213-F255 HydrophobicContact CZ-CD1 3.86Å; P216-F255 HydrophobicContact CB-CZ 4.34Å; L217-F255 HydrophobicContact CB-CD1 4.13Å; L217-F255 HydrophobicContact CB-CE1 3.49Å; L217-F255 VanDerWaalsContact CB-CE1 3.49Å; L217-F255 HydrophobicContact CB-CE2 4.45Å; L217-F255 HydrophobicContact CB-CZ 3.69Å; L217-F255 HydrophobicContact CD1-CD1 3.8Å; L217-F255 HydrophobicContact CD1-CD2 3.72Å; L217-F255 HydrophobicContact CD1-CE1 3.85Å; L217-F255 HydrophobicContact CD1-CE2 3.74Å; L217-F255 HydrophobicContact CD1-CG 3.76Å; L217-F255 HydrophobicContact CD1-CZ 3.83Å; L217-F255 HydrophobicContact CG-CD1 4.4Å; L217-F255 HydrophobicContact CG-CE1 4.19Å; L217-F255 HydrophobicContact CG-CZ 4.37Å; I220-F255 HydrophobicContact CD1-CE2 3.84Å; I220-F255 HydrophobicContact CD1-CZ 3.91Å; I251-F255 HydrophobicContact CG2-CD2 4.09Å; I251-F255 HydrophobicContact CG2-CE2 3.97Å; I251-F255 VanDerWaalsContact O-CD2 3.22Å; I251-F255 WeakPolarHBondContact O-CD2 3.38Å; I251-F255 PolarHBondContact O-N 2.91Å; L252-F255 PolarHBondContact O-N 2.88Å; F255-C257 VanDerWaalsContact C-N 3.32Å; F255-C257 PolarHBondContact O-N 2.87Å; F255-A259 WeakPolarHBondContact O-CB 3.48Å; F255-A259 PolarHBondContact O-N 3.39Å |
| 256 | L | 94.3 | Very high | 90.1 | Very high | 127 Ų | 127 | 32.9 Ų | 32.9 | 67% | 0.665 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -64.6 | -37.6 | 174.5 | -70.5 | 172.4 | 0 | 0 | 0 | 112.2 | L252 A253 F254 P260 | L252-L256 WeakPolarHBondContact O-CB 3.13Å; L252-L256 VanDerWaalsContact O-CG 3.26Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 2.92Å; A253-L256 PolarHBondContact O-N 3.02Å; F254-L256 PolarHBondContact O-N 2.79Å; L256-P260 WeakPolarHBondContact O-CD 3.17Å |
| 257 | C | 94.5 | Very high | 90.4 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.4 | -42 | -180 | -69 | 0 | 0 | 0 | 0 | 112.4 | A253 F254 F255 L291 G292 N295 | A253-C257 VanDerWaalsContact O-CB 3.27Å; A253-C257 WeakPolarHBondContact O-CB 3.28Å; A253-C257 PolarHBondContact O-N 3.16Å; A253-C257 PolarHBondContact O-SG 3.2Å; F254-C257 PolarHBondContact O-N 2.89Å; F255-C257 VanDerWaalsContact C-N 3.32Å; F255-C257 PolarHBondContact O-N 2.87Å; C257-L291 HydrophobicContact CB-CG 4.42Å; C257-L291 VanDerWaalsContact CB-O 3.32Å; C257-L291 WeakPolarHBondContact CB-O 3.41Å; C257-L291 CarbonylContact O-C 3.59Å; C257-G292 WeakPolarHBondContact O-CA 3.04Å; C257-G292 PolarHBondContact O-N 2.89Å; C257-N295 HydrophobicContact CB-CB 3.94Å |
| 258 | W | 94.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -89.5 | -21.7 | -174 | -74 | 100.1 | 0 | 0 | 0 | 114.1 | M118 F213 F254 F261 H262 F293 | M118-W258 HydrophobicContact CB-CH2 3.55Å; M118-W258 HydrophobicContact CB-CZ2 3.78Å; M118-W258 HydrophobicContact CB-CZ3 4.02Å; M118-W258 HydrophobicContact CG-CD2 4.11Å; M118-W258 HydrophobicContact CG-CE3 3.86Å; M118-W258 HydrophobicContact CG-CH2 3.66Å; M118-W258 HydrophobicContact CG-CZ2 3.9Å; M118-W258 HydrophobicContact CG-CZ3 3.63Å; M118-W258 HydrophobicContact SD-CE3 4.02Å; M118-W258 HydrophobicContact SD-CH2 4.24Å; M118-W258 HydrophobicContact SD-CZ3 3.7Å; F213-W258 HydrophobicContact CD2-CB 4.37Å; F213-W258 HydrophobicContact CE2-CB 4.42Å; F254-W258 AromaticContact CD2-CD1 3.47Å; F254-W258 VanDerWaalsContact CD2-CD1 3.47Å; F254-W258 AromaticContact CD2-NE1 3.7Å; F254-W258 HydrophobicContact CE1-CB 4.27Å; F254-W258 AromaticContact CE1-CD1 3.88Å; F254-W258 HydrophobicContact CE1-CG 4.21Å; F254-W258 AromaticContact CE2-CD1 3.25Å; F254-W258 HydrophobicContact CE2-CG 4.1Å; F254-W258 AromaticContact CE2-NE1 3.31Å; F254-W258 VanDerWaalsContact CE2-NE1 3.31Å; F254-W258 AromaticContact CG-CD1 3.87Å; F254-W258 HydrophobicContact CZ-CB 4.36Å; F254-W258 AromaticContact CZ-CD1 3.42Å; F254-W258 VanDerWaalsContact CZ-CD1 3.42Å; F254-W258 HydrophobicContact CZ-CD2 4.48Å; F254-W258 AromaticContact CZ-CG 3.85Å; F254-W258 HydrophobicContact CZ-CG 3.85Å; F254-W258 AromaticContact CZ-NE1 3.84Å; F254-W258 WeakPolarHBondContact O-CB 3.22Å; F254-W258 VanDerWaalsContact O-CD1 3.28Å; F254-W258 PolarHBondContact O-N 3.37Å; W258-F261 HydrophobicContact CE3-CB 4.37Å; W258-F261 AromaticContact CE3-CD1 3.82Å; W258-F261 HydrophobicContact CE3-CD1 3.82Å; W258-F261 HydrophobicContact CE3-CE1 4.41Å; W258-F261 HydrophobicContact CE3-CG 4.26Å; W258-F261 AromaticContact CZ3-CD1 3.9Å; W258-F261 HydrophobicContact CZ3-CD1 3.9Å; W258-F261 HydrophobicContact CZ3-CE1 4.1Å; W258-F261 HydrophobicContact CZ3-CG 4.35Å; W258-F261 WeakPolarHBondContact O-CB 3.44Å; W258-F261 PolarHBondContact O-N 2.86Å; W258-H262 PolarHBondContact O-CD2 2.9Å; W258-H262 PolarHBondContact O-N 3.37Å; W258-H262 VanDerWaalsContact O-N 3.15Å; W258-F293 HydrophobicContact CH2-CD1 4.42Å |
| 259 | A | 95.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 21% | 0.207 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.6 | -47.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F213 F255 F261 H262 I263 | F213-A259 HydrophobicContact CE2-CB 3.9Å; F213-A259 HydrophobicContact CZ-CB 3.66Å; F255-A259 WeakPolarHBondContact O-CB 3.48Å; F255-A259 PolarHBondContact O-N 3.39Å; A259-F261 VanDerWaalsContact C-N 3.31Å; A259-F261 PolarHBondContact O-N 3.42Å; A259-H262 PolarHBondContact O-N 3.28Å; A259-I263 VanDerWaalsContact O-CG1 3.28Å; A259-I263 WeakPolarHBondContact O-CG1 3.46Å; A259-I263 PolarHBondContact O-N 3.34Å |
| 260 | P | 95.4 | Very high | 90.2 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 178.5 | -28 | 40.1 | 0 | 0 | 0 | 111.9 | L256 H262 I263 F264 A288 L291 | L256-P260 WeakPolarHBondContact O-CD 3.17Å; P260-H262 VanDerWaalsContact C-N 3.31Å; P260-H262 PolarHBondContact O-N 3.27Å; P260-I263 PolarHBondContact O-N 2.9Å; P260-I263 VanDerWaalsContact O-N 3.14Å; P260-F264 HydrophobicContact CB-CD2 4.47Å; P260-F264 VanDerWaalsContact O-CD2 3.22Å; P260-F264 WeakPolarHBondContact O-CD2 3.27Å; P260-F264 PolarHBondContact O-N 2.7Å; P260-A288 HydrophobicContact CB-CB 3.79Å; P260-L291 HydrophobicContact CG-CD2 3.85Å |
| 261 | F | 93.9 | Very high | 89.6 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 179.6 | 174.2 | -101 | 0 | 0 | 0 | 112.3 | M118 W258 A259 G265 F285 | M118-F261 HydrophobicContact SD-CE1 4.36Å; W258-F261 HydrophobicContact CE3-CB 4.37Å; W258-F261 AromaticContact CE3-CD1 3.82Å; W258-F261 HydrophobicContact CE3-CD1 3.82Å; W258-F261 HydrophobicContact CE3-CE1 4.41Å; W258-F261 HydrophobicContact CE3-CG 4.26Å; W258-F261 AromaticContact CZ3-CD1 3.9Å; W258-F261 HydrophobicContact CZ3-CD1 3.9Å; W258-F261 HydrophobicContact CZ3-CE1 4.1Å; W258-F261 HydrophobicContact CZ3-CG 4.35Å; W258-F261 WeakPolarHBondContact O-CB 3.44Å; W258-F261 PolarHBondContact O-N 2.86Å; A259-F261 VanDerWaalsContact C-N 3.31Å; A259-F261 PolarHBondContact O-N 3.42Å; F261-G265 PolarHBondContact O-N 3.28Å; F261-F285 HydrophobicContact CD2-CE1 4.46Å; F261-F285 HydrophobicContact CD2-CZ 4.45Å; F261-F285 HydrophobicContact CE2-CE1 4.06Å; F261-F285 HydrophobicContact CE2-CZ 4.02Å |
| 262 | H | 93.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.032 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.9 | -36 | 177 | -69.3 | -64.3 | 0 | 0 | 0 | 113.2 | L209 F213 W258 A259 P260 G265 L266 | L209-H262 HydrophobicContact CD1-CB 3.87Å; F213-H262 AromaticContact CD2-CD2 3.23Å; F213-H262 WeakPolarHBondContact CD2-CD2 3.38Å; F213-H262 AromaticContact CD2-NE2 3.72Å; F213-H262 AromaticContact CE2-CD2 3.99Å; F213-H262 AromaticContact CG-CD2 3.59Å; W258-H262 PolarHBondContact O-CD2 2.9Å; W258-H262 PolarHBondContact O-N 3.37Å; W258-H262 VanDerWaalsContact O-N 3.15Å; A259-H262 PolarHBondContact O-N 3.28Å; P260-H262 VanDerWaalsContact C-N 3.31Å; P260-H262 PolarHBondContact O-N 3.27Å; H262-G265 PolarHBondContact O-N 2.89Å; H262-L266 PolarHBondContact O-N 2.85Å |
| 263 | I | 93.4 | Very high | 87.6 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64 | -50.5 | 175.2 | -69 | 164 | 0 | 0 | 0 | 110.1 | A259 P260 G265 L266 M267 | A259-I263 VanDerWaalsContact O-CG1 3.28Å; A259-I263 WeakPolarHBondContact O-CG1 3.46Å; A259-I263 PolarHBondContact O-N 3.34Å; P260-I263 PolarHBondContact O-N 2.9Å; P260-I263 VanDerWaalsContact O-N 3.14Å; I263-G265 VanDerWaalsContact C-N 3.32Å; I263-G265 PolarHBondContact O-N 2.82Å; I263-L266 WeakPolarHBondContact O-CB 3.49Å; I263-L266 PolarHBondContact O-N 3.46Å; I263-L266 VanDerWaalsContact O-N 3.09Å; I263-M267 HydrophobicContact CG2-SD 4.05Å; I263-M267 WeakPolarHBondContact O-CG 3.38Å; I263-M267 PolarHBondContact O-N 3.27Å |
| 264 | F | 89.9 | Confident | 86.9 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 178.1 | -82.2 | -76.2 | 0 | 0 | 0 | 112 | P260 L266 M267 E268 I280 L281 G284 F285 A288 | P260-F264 HydrophobicContact CB-CD2 4.47Å; P260-F264 VanDerWaalsContact O-CD2 3.22Å; P260-F264 WeakPolarHBondContact O-CD2 3.27Å; P260-F264 PolarHBondContact O-N 2.7Å; F264-L266 VanDerWaalsContact C-N 3.3Å; F264-L266 PolarHBondContact O-N 3.45Å; F264-M267 HydrophobicContact CD1-SD 4.23Å; F264-M267 HydrophobicContact CE1-SD 4.47Å; F264-M267 PolarHBondContact O-N 2.94Å; F264-E268 WeakPolarHBondContact O-CB 3.29Å; F264-E268 PolarHBondContact O-N 2.87Å; F264-I280 HydrophobicContact CE1-CG2 3.88Å; F264-L281 HydrophobicContact CB-CD2 4.48Å; F264-L281 HydrophobicContact CD1-CD2 3.95Å; F264-L281 WeakPolarHBondContact O-CD2 3.35Å; F264-G284 VanDerWaalsContact CZ-CA 3.49Å; F264-F285 HydrophobicContact CB-CD2 3.66Å; F264-F285 HydrophobicContact CB-CE2 4.24Å; F264-F285 HydrophobicContact CB-CG 4.37Å; F264-A288 HydrophobicContact CD2-CB 3.5Å; F264-A288 VanDerWaalsContact CD2-CB 3.5Å; F264-A288 HydrophobicContact CE2-CB 4.05Å; F264-A288 HydrophobicContact CG-CB 4.29Å |
| 265 | G | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V205 F261 H262 I263 | V205-G265 WeakPolarHBondContact CG1-O 3.4Å; F261-G265 PolarHBondContact O-N 3.28Å; H262-G265 PolarHBondContact O-N 2.89Å; I263-G265 VanDerWaalsContact C-N 3.32Å; I263-G265 PolarHBondContact O-N 2.82Å |
| 266 | L | 90.5 | Very high | 85.4 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.3 | -41.6 | 172.2 | -178.1 | 63.1 | 0 | 0 | 0 | 111.2 | H262 I263 F264 E268 L269 F270 | H262-L266 PolarHBondContact O-N 2.85Å; I263-L266 WeakPolarHBondContact O-CB 3.49Å; I263-L266 PolarHBondContact O-N 3.46Å; I263-L266 VanDerWaalsContact O-N 3.09Å; F264-L266 VanDerWaalsContact C-N 3.3Å; F264-L266 PolarHBondContact O-N 3.45Å; L266-E268 VanDerWaalsContact C-N 3.27Å; L266-E268 PolarHBondContact O-N 3.49Å; L266-L269 HydrophobicContact CD1-CD1 4.25Å; L266-L269 WeakPolarHBondContact O-CB 3.42Å; L266-L269 PolarHBondContact O-N 3.05Å; L266-F270 HydrophobicContact CD1-CE2 4.06Å; L266-F270 HydrophobicContact CG-CE2 4.23Å; L266-F270 VanDerWaalsContact O-CD2 3.22Å; L266-F270 WeakPolarHBondContact O-CD2 3.42Å |
| 267 | M | 87.1 | Confident | 84.5 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 176.6 | -69.5 | 174.1 | 65.7 | 0 | 0 | 112.3 | I263 F264 L269 F270 V271 M277 I280 L281 | I263-M267 HydrophobicContact CG2-SD 4.05Å; I263-M267 WeakPolarHBondContact O-CG 3.38Å; I263-M267 PolarHBondContact O-N 3.27Å; F264-M267 HydrophobicContact CD1-SD 4.23Å; F264-M267 HydrophobicContact CE1-SD 4.47Å; F264-M267 PolarHBondContact O-N 2.94Å; M267-L269 PolarHBondContact O-N 2.85Å; M267-F270 PolarHBondContact O-N 3.01Å; M267-V271 PolarHBondContact O-N 2.71Å; M267-M277 HydrophobicContact CE-SD 3.78Å; M267-I280 HydrophobicContact CE-CG2 3.9Å; M267-L281 HydrophobicContact CB-CD2 4.09Å |
| 268 | E | 83.8 | Confident | 83.6 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.5 | -32.5 | 176.2 | -170.9 | -179.3 | -160.5 | 0 | 0 | 112.3 | H201 F264 L266 F270 V271 L281 | H201-E268 IonicContact NE2-OE2 3.73Å; F264-E268 WeakPolarHBondContact O-CB 3.29Å; F264-E268 PolarHBondContact O-N 2.87Å; L266-E268 VanDerWaalsContact C-N 3.27Å; L266-E268 PolarHBondContact O-N 3.49Å; E268-F270 PolarHBondContact O-N 3.15Å; E268-V271 WeakPolarHBondContact O-CG1 3.49Å; E268-V271 PolarHBondContact O-N 3.26Å; E268-L281 HydrophobicContact CB-CD2 4.23Å |
| 269 | L | 83.7 | Confident | 82.8 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.2 | 176.3 | -59.8 | -177.4 | 0 | 0 | 0 | 113.6 | T202 V205 L266 M267 | T202-L269 HydrophobicContact CG2-CD1 4.28Å; V205-L269 HydrophobicContact CB-CD1 4.15Å; V205-L269 HydrophobicContact CB-CD2 4.26Å; V205-L269 HydrophobicContact CB-CG 4.44Å; V205-L269 HydrophobicContact CG1-CD1 3.86Å; V205-L269 HydrophobicContact CG1-CG 4.2Å; V205-L269 HydrophobicContact CG2-CD2 4.04Å; L266-L269 HydrophobicContact CD1-CD1 4.25Å; L266-L269 WeakPolarHBondContact O-CB 3.42Å; L266-L269 PolarHBondContact O-N 3.05Å; M267-L269 PolarHBondContact O-N 2.85Å |
| 270 | F | 79.8 | Confident | 82.2 | Confident | 115 Ų | 115 | 71 Ų | 71 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 10.6 | -177.2 | -57.3 | -77 | 0 | 0 | 0 | 112.9 | L266 M267 E268 H272 H273 | L266-F270 HydrophobicContact CD1-CE2 4.06Å; L266-F270 HydrophobicContact CG-CE2 4.23Å; L266-F270 VanDerWaalsContact O-CD2 3.22Å; L266-F270 WeakPolarHBondContact O-CD2 3.42Å; M267-F270 PolarHBondContact O-N 3.01Å; E268-F270 PolarHBondContact O-N 3.15Å; F270-H272 VanDerWaalsContact C-N 3.25Å; F270-H272 PolarHBondContact O-N 3.3Å; F270-H273 WeakPolarHBondContact O-CB 3.25Å; F270-H273 PolarHBondContact O-CD2 3.5Å; F270-H273 PolarHBondContact O-N 2.94Å; F270-H273 VanDerWaalsContact O-N 3.15Å |
| 271 | V | 73 | Confident | 81.6 | Confident | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -57.8 | -34.7 | -171.3 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | M267 E268 H273 S274 H278 L281 | M267-V271 PolarHBondContact O-N 2.71Å; E268-V271 WeakPolarHBondContact O-CG1 3.49Å; E268-V271 PolarHBondContact O-N 3.26Å; V271-H273 PolarHBondContact O-N 3.37Å; V271-S274 PolarHBondContact O-N 2.89Å; V271-H278 HydrophobicContact CG2-CB 4.38Å; V271-L281 HydrophobicContact CB-CD1 3.78Å; V271-L281 HydrophobicContact CG2-CD1 3.6Å |
| 272 | H | 66.4 | Low | 80.9 | Confident | 173 Ų | 173 | 72.6 Ų | 72.6 | 80% | 0.801 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -68.4 | -5.5 | -177.3 | -59.6 | -65.9 | 0 | 0 | 0 | 114.4 | F270 | F270-H272 VanDerWaalsContact C-N 3.25Å; F270-H272 PolarHBondContact O-N 3.3Å |
| 273 | H | 69 | Low | 80.2 | Confident | 158 Ų | 158 | 74 Ų | 74 | 73% | 0.731 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -90.4 | -11.7 | -178.9 | -65 | -63.3 | 0 | 0 | 0 | 114.2 | F270 V271 | F270-H273 WeakPolarHBondContact O-CB 3.25Å; F270-H273 PolarHBondContact O-CD2 3.5Å; F270-H273 PolarHBondContact O-N 2.94Å; F270-H273 VanDerWaalsContact O-N 3.15Å; V271-H273 PolarHBondContact O-N 3.37Å |
| 274 | S | 75.1 | Confident | 79.8 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 32% | 0.315 | 36% | 0.363 | S | S | . | . | trans | -163.4 | 130.6 | -177.4 | 176.7 | 0 | 0 | 0 | 0 | 114.4 | V271 T276 M277 H278 | V271-S274 PolarHBondContact O-N 2.89Å; S274-T276 VanDerWaalsContact C-N 3.25Å; S274-T276 PolarHBondContact O-N 3.49Å; S274-T276 PolarHBondContact OG-N 3.3Å; S274-M277 WeakPolarHBondContact O-CB 3.5Å; S274-M277 PolarHBondContact O-N 2.89Å; S274-M277 VanDerWaalsContact O-N 3.08Å; S274-H278 PolarHBondContact O-N 3.42Å | ||
| 275 | L | 73.4 | Confident | 79.6 | Confident | 162 Ų | 162 | 70.4 Ų | 70.4 | 85% | 0.848 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.2 | -35.8 | 170.7 | -74.9 | 160.5 | 0 | 0 | 0 | 112.7 | M277 H278 S279 | L275-M277 VanDerWaalsContact C-N 3.32Å; L275-M277 PolarHBondContact O-N 2.97Å; L275-H278 VanDerWaalsContact O-CB 3.32Å; L275-H278 WeakPolarHBondContact O-CB 3.32Å; L275-H278 PolarHBondContact O-N 3.47Å; L275-S279 PolarHBondContact O-N 3.49Å |
| 276 | T | 77.6 | Confident | 79.5 | Confident | 88 Ų | 88 | 72.3 Ų | 72.3 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 176.5 | -51.4 | 0 | 0 | 0 | 0 | 112 | S274 H278 S279 I280 | S274-T276 VanDerWaalsContact C-N 3.25Å; S274-T276 PolarHBondContact O-N 3.49Å; S274-T276 PolarHBondContact OG-N 3.3Å; T276-H278 VanDerWaalsContact C-N 3.28Å; T276-H278 PolarHBondContact O-N 3.24Å; T276-S279 PolarHBondContact O-N 3.08Å; T276-I280 HydrophobicContact CG2-CD1 4.07Å; T276-I280 WeakPolarHBondContact O-CG1 3.33Å; T276-I280 PolarHBondContact O-N 3.28Å; T276-I280 VanDerWaalsContact O-N 3.13Å |
| 277 | M | 75.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 175.1 | -69.2 | -65.1 | 115 | 0 | 0 | 111.5 | M267 S274 L275 I280 L281 | M267-M277 HydrophobicContact CE-SD 3.78Å; S274-M277 WeakPolarHBondContact O-CB 3.5Å; S274-M277 PolarHBondContact O-N 2.89Å; S274-M277 VanDerWaalsContact O-N 3.08Å; L275-M277 VanDerWaalsContact C-N 3.32Å; L275-M277 PolarHBondContact O-N 2.97Å; M277-I280 HydrophobicContact CE-CD1 3.82Å; M277-I280 PolarHBondContact O-N 2.86Å; M277-L281 WeakPolarHBondContact O-CB 3.39Å; M277-L281 WeakPolarHBondContact O-CD1 3.27Å; M277-L281 WeakPolarHBondContact O-CG 3.18Å; M277-L281 PolarHBondContact O-N 2.82Å |
| 278 | H | 75.4 | Confident | 79.7 | Confident | 83 Ų | 83 | 69 Ų | 69 | 38% | 0.384 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 175.8 | -171.6 | 88.3 | 0 | 0 | 0 | 111.6 | V271 S274 L275 T276 I280 L281 R282 | V271-H278 HydrophobicContact CG2-CB 4.38Å; S274-H278 PolarHBondContact O-N 3.42Å; L275-H278 VanDerWaalsContact O-CB 3.32Å; L275-H278 WeakPolarHBondContact O-CB 3.32Å; L275-H278 PolarHBondContact O-N 3.47Å; T276-H278 VanDerWaalsContact C-N 3.28Å; T276-H278 PolarHBondContact O-N 3.24Å; H278-I280 VanDerWaalsContact C-N 3.34Å; H278-I280 PolarHBondContact O-N 3.27Å; H278-L281 PolarHBondContact O-N 3.27Å; H278-R282 WeakPolarHBondContact O-CB 3.13Å; H278-R282 PolarHBondContact O-N 2.97Å |
| 279 | S | 77.7 | Confident | 80 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.4 | -40.9 | 177.2 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | L275 T276 R282 A283 | L275-S279 PolarHBondContact O-N 3.49Å; T276-S279 PolarHBondContact O-N 3.08Å; S279-R282 PolarHBondContact O-N 3.5Å; S279-A283 PolarHBondContact O-N 2.81Å |
| 280 | I | 84.3 | Confident | 80.5 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 177.5 | -70.2 | 167.7 | 0 | 0 | 0 | 111.3 | F264 M267 T276 M277 H278 G284 | F264-I280 HydrophobicContact CE1-CG2 3.88Å; M267-I280 HydrophobicContact CE-CG2 3.9Å; T276-I280 HydrophobicContact CG2-CD1 4.07Å; T276-I280 WeakPolarHBondContact O-CG1 3.33Å; T276-I280 PolarHBondContact O-N 3.28Å; T276-I280 VanDerWaalsContact O-N 3.13Å; M277-I280 HydrophobicContact CE-CD1 3.82Å; M277-I280 PolarHBondContact O-N 2.86Å; H278-I280 VanDerWaalsContact C-N 3.34Å; H278-I280 PolarHBondContact O-N 3.27Å; I280-G284 WeakPolarHBondContact O-CA 3.49Å; I280-G284 PolarHBondContact O-N 2.81Å |
| 281 | L | 82.1 | Confident | 81.2 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.7 | -80.8 | 161.3 | 0 | 0 | 0 | 111.4 | F264 M267 E268 V271 M277 H278 A283 G284 F285 | F264-L281 HydrophobicContact CB-CD2 4.48Å; F264-L281 HydrophobicContact CD1-CD2 3.95Å; F264-L281 WeakPolarHBondContact O-CD2 3.35Å; M267-L281 HydrophobicContact CB-CD2 4.09Å; E268-L281 HydrophobicContact CB-CD2 4.23Å; V271-L281 HydrophobicContact CB-CD1 3.78Å; V271-L281 HydrophobicContact CG2-CD1 3.6Å; M277-L281 WeakPolarHBondContact O-CB 3.39Å; M277-L281 WeakPolarHBondContact O-CD1 3.27Å; M277-L281 WeakPolarHBondContact O-CG 3.18Å; M277-L281 PolarHBondContact O-N 2.82Å; H278-L281 PolarHBondContact O-N 3.27Å; L281-A283 VanDerWaalsContact C-N 3.32Å; L281-A283 PolarHBondContact O-N 2.79Å; L281-G284 PolarHBondContact O-N 3.03Å; L281-F285 HydrophobicContact CD2-CD2 4.23Å; L281-F285 WeakPolarHBondContact O-CB 3.28Å; L281-F285 PolarHBondContact O-N 3.19Å |
| 282 | R | 78.8 | Confident | 82.2 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 179.6 | -161.7 | 178.2 | -153.1 | -179.5 | 3.6 | 112.6 | E17 D27 H278 S279 P286 | E17-R282 IonicContact OE1-CZ 3.79Å; E17-R282 IonicContact OE1-NE 2.78Å; E17-R282 IonicContact OE1-NH2 3.67Å; E17-R282 PolarHBondContact OE1-NH2 2.86Å; D27-R282 IonicContact OD2-CZ 3.73Å; D27-R282 IonicContact OD2-NH1 2.67Å; D27-R282 PolarHBondContact OD2-NH1 3Å; H278-R282 WeakPolarHBondContact O-CB 3.13Å; H278-R282 PolarHBondContact O-N 2.97Å; S279-R282 PolarHBondContact O-N 3.5Å; R282-P286 VanDerWaalsContact O-CD 3.25Å; R282-P286 WeakPolarHBondContact O-CD 3.33Å; R282-P286 WeakPolarHBondContact O-CG 3.35Å |
| 283 | A | 79.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 54 Ų | 54 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -81.3 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I34 S279 L281 | I34-A283 HydrophobicContact CD1-CB 3.53Å; S279-A283 PolarHBondContact O-N 2.81Å; L281-A283 VanDerWaalsContact C-N 3.32Å; L281-A283 PolarHBondContact O-N 2.79Å |
| 284 | G | 85.8 | Confident | 84.7 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -84.2 | -34.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F264 I280 L281 L287 A288 | F264-G284 VanDerWaalsContact CZ-CA 3.49Å; I280-G284 WeakPolarHBondContact O-CA 3.49Å; I280-G284 PolarHBondContact O-N 2.81Å; L281-G284 PolarHBondContact O-N 3.03Å; G284-L287 PolarHBondContact O-N 3.18Å; G284-A288 VanDerWaalsContact O-CB 3.24Å; G284-A288 WeakPolarHBondContact O-CB 3.43Å; G284-A288 PolarHBondContact O-N 2.88Å |
| 285 | F | 85.1 | Confident | 85.6 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 21% | 0.211 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | -176.7 | -160 | -75.8 | 0 | 0 | 0 | 113.2 | F261 F264 L281 A288 T289 | F261-F285 HydrophobicContact CD2-CE1 4.46Å; F261-F285 HydrophobicContact CD2-CZ 4.45Å; F261-F285 HydrophobicContact CE2-CE1 4.06Å; F261-F285 HydrophobicContact CE2-CZ 4.02Å; F264-F285 HydrophobicContact CB-CD2 3.66Å; F264-F285 HydrophobicContact CB-CE2 4.24Å; F264-F285 HydrophobicContact CB-CG 4.37Å; L281-F285 HydrophobicContact CD2-CD2 4.23Å; L281-F285 WeakPolarHBondContact O-CB 3.28Å; L281-F285 PolarHBondContact O-N 3.19Å; F285-A288 PolarHBondContact O-N 3.45Å; F285-T289 WeakPolarHBondContact O-CB 3.42Å; F285-T289 PolarHBondContact O-N 3.44Å; F285-T289 PolarHBondContact O-OG1 2.86Å |
| 286 | P | 85.5 | Confident | 86.5 | Confident | 40 Ų | 40 | 39 Ų | 39 | 26% | 0.26 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.4 | -23.8 | 35.3 | 0 | 0 | 0 | 113.1 | I34 R282 T289 S290 | I34-P286 HydrophobicContact CG2-CB 4.36Å; R282-P286 VanDerWaalsContact O-CD 3.25Å; R282-P286 WeakPolarHBondContact O-CD 3.33Å; R282-P286 WeakPolarHBondContact O-CG 3.35Å; P286-T289 PolarHBondContact O-N 2.89Å; P286-S290 WeakPolarHBondContact O-CB 3.43Å; P286-S290 PolarHBondContact O-N 3.44Å; P286-S290 PolarHBondContact O-OG 3.27Å |
| 287 | L | 89.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 34.8 Ų | 34.8 | 30% | 0.304 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.7 | -67.6 | 176.6 | 0 | 0 | 0 | 111.6 | I34 I37 G284 T289 S290 L291 | I34-L287 HydrophobicContact CG1-CD1 4.49Å; I34-L287 HydrophobicContact CG2-CD1 4.36Å; I34-L287 HydrophobicContact CG2-CD2 3.92Å; I34-L287 HydrophobicContact CG2-CG 3.81Å; I37-L287 HydrophobicContact CB-CD2 4.25Å; I37-L287 HydrophobicContact CG2-CD2 3.78Å; G284-L287 PolarHBondContact O-N 3.18Å; L287-T289 VanDerWaalsContact C-N 3.35Å; L287-S290 PolarHBondContact O-N 2.98Å; L287-L291 PolarHBondContact O-N 3.45Å |
| 288 | A | 92.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | P260 F264 G284 F285 S290 L291 G292 | P260-A288 HydrophobicContact CB-CB 3.79Å; F264-A288 HydrophobicContact CD2-CB 3.5Å; F264-A288 VanDerWaalsContact CD2-CB 3.5Å; F264-A288 HydrophobicContact CE2-CB 4.05Å; F264-A288 HydrophobicContact CG-CB 4.29Å; G284-A288 VanDerWaalsContact O-CB 3.24Å; G284-A288 WeakPolarHBondContact O-CB 3.43Å; G284-A288 PolarHBondContact O-N 2.88Å; F285-A288 PolarHBondContact O-N 3.45Å; A288-S290 VanDerWaalsContact C-N 3.34Å; A288-L291 PolarHBondContact O-N 2.82Å; A288-G292 PolarHBondContact O-N 3.49Å |
| 289 | T | 90.8 | Very high | 88.2 | Confident | 20 Ų | 20 | 29.5 Ų | 29.5 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 172.3 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | F285 P286 L287 L291 G292 F293 | F285-T289 WeakPolarHBondContact O-CB 3.42Å; F285-T289 PolarHBondContact O-N 3.44Å; F285-T289 PolarHBondContact O-OG1 2.86Å; P286-T289 PolarHBondContact O-N 2.89Å; L287-T289 VanDerWaalsContact C-N 3.35Å; T289-L291 VanDerWaalsContact C-N 3.35Å; T289-L291 PolarHBondContact O-N 2.97Å; T289-G292 PolarHBondContact O-N 3.29Å; T289-F293 HydrophobicContact CG2-CD1 4.48Å; T289-F293 HydrophobicContact CG2-CD2 4.34Å; T289-F293 HydrophobicContact CG2-CE1 4.04Å; T289-F293 HydrophobicContact CG2-CE2 3.89Å; T289-F293 HydrophobicContact CG2-CZ 3.73Å; T289-F293 WeakPolarHBondContact O-CG 3.39Å; T289-F293 PolarHBondContact O-N 3.1Å |
| 290 | S | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | S38 I41 Y42 P286 L287 A288 F293 F294 | S38-S290 VanDerWaalsContact CB-OG 3.28Å; S38-S290 WeakPolarHBondContact CB-OG 3.21Å; S38-S290 PolarHBondContact OG-OG 3.43Å; I41-S290 WeakPolarHBondContact CG2-O 3.43Å; Y42-S290 WeakPolarHBondContact CE1-OG 3.17Å; Y42-S290 VanDerWaalsContact CZ-OG 3.32Å; Y42-S290 PolarHBondContact OH-OG 3.23Å; P286-S290 WeakPolarHBondContact O-CB 3.43Å; P286-S290 PolarHBondContact O-N 3.44Å; P286-S290 PolarHBondContact O-OG 3.27Å; L287-S290 PolarHBondContact O-N 2.98Å; A288-S290 VanDerWaalsContact C-N 3.34Å; S290-F293 PolarHBondContact O-N 3.15Å; S290-F294 PolarHBondContact O-N 3.3Å |
| 291 | L | 94.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 25.8 Ų | 25.8 | 34% | 0.335 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.2 | -170.3 | 70.1 | 0 | 0 | 0 | 111.8 | C257 P260 L287 A288 T289 F293 F294 | C257-L291 HydrophobicContact CB-CG 4.42Å; C257-L291 VanDerWaalsContact CB-O 3.32Å; C257-L291 WeakPolarHBondContact CB-O 3.41Å; C257-L291 CarbonylContact O-C 3.59Å; P260-L291 HydrophobicContact CG-CD2 3.85Å; L287-L291 PolarHBondContact O-N 3.45Å; A288-L291 PolarHBondContact O-N 2.82Å; T289-L291 VanDerWaalsContact C-N 3.35Å; T289-L291 PolarHBondContact O-N 2.97Å; L291-F293 VanDerWaalsContact C-N 3.3Å; L291-F293 PolarHBondContact O-N 3.24Å; L291-F294 VanDerWaalsContact O-CB 3.31Å; L291-F294 WeakPolarHBondContact O-CB 3.48Å; L291-F294 PolarHBondContact O-N 2.85Å; L291-F294 VanDerWaalsContact O-N 3.17Å |
| 292 | G | 93.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.4 | -44.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | C257 A288 T289 F294 N295 | C257-G292 WeakPolarHBondContact O-CA 3.04Å; C257-G292 PolarHBondContact O-N 2.89Å; A288-G292 PolarHBondContact O-N 3.49Å; T289-G292 PolarHBondContact O-N 3.29Å; G292-F294 VanDerWaalsContact C-N 3.33Å; G292-F294 PolarHBondContact O-N 2.95Å; G292-N295 WeakPolarHBondContact O-CB 3.4Å; G292-N295 PolarHBondContact O-N 2.92Å; G292-N295 VanDerWaalsContact O-N 3.17Å |
| 293 | F | 94.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.7 | -30.6 | 177.9 | -67.5 | -4.4 | 0 | 0 | 0 | 113.1 | Y42 F83 L87 Y90 W258 T289 S290 L291 N295 S296 | Y42-F293 HydrophobicContact CD1-CD2 4.24Å; Y42-F293 HydrophobicContact CE1-CB 4.2Å; Y42-F293 AromaticContact CE1-CD2 3.48Å; Y42-F293 HydrophobicContact CE1-CD2 3.48Å; Y42-F293 VanDerWaalsContact CE1-CD2 3.48Å; Y42-F293 HydrophobicContact CE1-CE2 4.33Å; Y42-F293 HydrophobicContact CE1-CG 4.28Å; Y42-F293 AromaticContact CZ-CD2 3.94Å; F83-F293 HydrophobicContact CE1-CB 3.93Å; F83-F293 HydrophobicContact CE1-CD1 4.19Å; F83-F293 HydrophobicContact CE1-CG 4.04Å; F83-F293 HydrophobicContact CE2-CD1 4.13Å; F83-F293 HydrophobicContact CE2-CE1 4.03Å; F83-F293 HydrophobicContact CE2-CE2 4.43Å; F83-F293 HydrophobicContact CE2-CG 4.38Å; F83-F293 HydrophobicContact CE2-CZ 4.19Å; F83-F293 HydrophobicContact CZ-CB 3.8Å; F83-F293 AromaticContact CZ-CD1 3.43Å; F83-F293 HydrophobicContact CZ-CD1 3.43Å; F83-F293 VanDerWaalsContact CZ-CD1 3.43Å; F83-F293 AromaticContact CZ-CD2 3.7Å; F83-F293 HydrophobicContact CZ-CD2 3.7Å; F83-F293 AromaticContact CZ-CE1 3.79Å; F83-F293 HydrophobicContact CZ-CE1 3.79Å; F83-F293 HydrophobicContact CZ-CE2 4.04Å; F83-F293 AromaticContact CZ-CG 3.39Å; F83-F293 HydrophobicContact CZ-CG 3.39Å; F83-F293 HydrophobicContact CZ-CZ 4.08Å; L87-F293 HydrophobicContact CD1-CD2 3.58Å; L87-F293 HydrophobicContact CD1-CE2 4.01Å; L87-F293 HydrophobicContact CD1-CG 4.45Å; Y90-F293 HydrophobicContact CD1-CE2 4.47Å; Y90-F293 HydrophobicContact CD2-CE2 4.23Å; Y90-F293 HydrophobicContact CE1-CE2 4.37Å; Y90-F293 HydrophobicContact CE2-CE2 4.11Å; Y90-F293 HydrophobicContact CE2-CZ 4.23Å; Y90-F293 HydrophobicContact CG-CE2 4.4Å; W258-F293 HydrophobicContact CH2-CD1 4.42Å; T289-F293 HydrophobicContact CG2-CD1 4.48Å; T289-F293 HydrophobicContact CG2-CD2 4.34Å; T289-F293 HydrophobicContact CG2-CE1 4.04Å; T289-F293 HydrophobicContact CG2-CE2 3.89Å; T289-F293 HydrophobicContact CG2-CZ 3.73Å; T289-F293 WeakPolarHBondContact O-CG 3.39Å; T289-F293 PolarHBondContact O-N 3.1Å; S290-F293 PolarHBondContact O-N 3.15Å; L291-F293 VanDerWaalsContact C-N 3.3Å; L291-F293 PolarHBondContact O-N 3.24Å; F293-N295 PolarHBondContact O-N 3.04Å; F293-N295 VanDerWaalsContact O-N 3.13Å; F293-S296 PolarHBondContact O-N 3.47Å; F293-S296 VanDerWaalsContact O-N 3.11Å |
| 294 | F | 94 | Very high | 86.9 | Confident | 51 Ų | 51 | 25 Ų | 25 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.4 | -20.1 | 173.3 | -166.6 | -102.3 | 0 | 0 | 0 | 113.6 | I41 T44 C45 S290 L291 G292 S296 C297 I298 | I41-F294 HydrophobicContact CG2-CB 4.12Å; I41-F294 HydrophobicContact CG2-CD2 4.05Å; T44-F294 HydrophobicContact CG2-CE2 4.01Å; C45-F294 WeakPolarHBondContact SG-CA 3.46Å; S290-F294 PolarHBondContact O-N 3.3Å; L291-F294 VanDerWaalsContact O-CB 3.31Å; L291-F294 WeakPolarHBondContact O-CB 3.48Å; L291-F294 PolarHBondContact O-N 2.85Å; L291-F294 VanDerWaalsContact O-N 3.17Å; G292-F294 VanDerWaalsContact C-N 3.33Å; G292-F294 PolarHBondContact O-N 2.95Å; F294-S296 PolarHBondContact O-N 3.36Å; F294-C297 WeakPolarHBondContact CD2-SG 3.27Å; F294-C297 WeakPolarHBondContact CE2-SG 3.16Å; F294-C297 PolarHBondContact O-N 3.17Å; F294-C297 PolarHBondContact O-SG 2.92Å; F294-I298 HydrophobicContact CD1-CB 4.34Å; F294-I298 HydrophobicContact CD1-CD1 4.43Å; F294-I298 HydrophobicContact CE1-CB 4.18Å; F294-I298 HydrophobicContact CE1-CD1 4.02Å; F294-I298 HydrophobicContact CE1-CG1 4.2Å; F294-I298 PolarHBondContact O-N 3.25Å; F294-I298 VanDerWaalsContact O-N 3.13Å |
| 295 | N | 93.3 | Very high | 86 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.2 | -35.1 | 172.9 | 179.8 | -118.2 | 0 | 0 | 0 | 112.8 | F254 C257 G292 F293 C297 I298 N299 | F254-N295 VanDerWaalsContact CA-ND2 3.34Å; F254-N295 WeakPolarHBondContact CA-ND2 3.34Å; F254-N295 WeakPolarHBondContact CD2-OD1 3.06Å; C257-N295 HydrophobicContact CB-CB 3.94Å; G292-N295 WeakPolarHBondContact O-CB 3.4Å; G292-N295 PolarHBondContact O-N 2.92Å; G292-N295 VanDerWaalsContact O-N 3.17Å; F293-N295 PolarHBondContact O-N 3.04Å; F293-N295 VanDerWaalsContact O-N 3.13Å; N295-C297 VanDerWaalsContact C-N 3.26Å; N295-C297 PolarHBondContact O-N 3.32Å; N295-I298 WeakPolarHBondContact O-CG2 3.34Å; N295-I298 PolarHBondContact O-N 2.94Å; N295-N299 PolarHBondContact O-ND2 3.48Å; N295-N299 PolarHBondContact O-OD1 3.27Å |
| 296 | S | 92.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.2 | -17.9 | -177.1 | -71.6 | 0 | 0 | 0 | 0 | 114 | N53 D80 F83 N117 F293 F294 | N53-S296 PolarHBondContact ND2-O 3.23Å; D80-S296 VanDerWaalsContact OD1-CA 3.3Å; D80-S296 WeakPolarHBondContact OD1-CA 3.48Å; D80-S296 VanDerWaalsContact OD1-CB 3.26Å; D80-S296 WeakPolarHBondContact OD1-CB 3.23Å; D80-S296 PolarHBondContact OD1-OG 2.67Å; F83-S296 WeakPolarHBondContact CD1-OG 3.34Å; N117-S296 PolarHBondContact ND2-OG 3.1Å; F293-S296 PolarHBondContact O-N 3.47Å; F293-S296 VanDerWaalsContact O-N 3.11Å; F294-S296 PolarHBondContact O-N 3.36Å |
| 297 | C | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -105.9 | -16.3 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | C45 L48 F294 N295 N299 | C45-C297 HydrophobicContact CB-CB 4.42Å; C45-C297 VanDerWaalsContact SG-SG 3.61Å; L48-C297 HydrophobicContact CB-CB 3.84Å; F294-C297 WeakPolarHBondContact CD2-SG 3.27Å; F294-C297 WeakPolarHBondContact CE2-SG 3.16Å; F294-C297 PolarHBondContact O-N 3.17Å; F294-C297 PolarHBondContact O-SG 2.92Å; N295-C297 VanDerWaalsContact C-N 3.26Å; N295-C297 PolarHBondContact O-N 3.32Å; C297-N299 VanDerWaalsContact C-N 3.33Å |
| 298 | I | 88.7 | Confident | 82.7 | Confident | 35 Ų | 35 | 34 Ų | 34 | 18% | 0.179 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -72.7 | -28.3 | 177.2 | -154.2 | 172 | 0 | 0 | 0 | 112 | A253 F294 N295 L301 L302 | A253-I298 HydrophobicContact CB-CD1 4.02Å; A253-I298 HydrophobicContact CB-CG2 3.82Å; F294-I298 HydrophobicContact CD1-CB 4.34Å; F294-I298 HydrophobicContact CD1-CD1 4.43Å; F294-I298 HydrophobicContact CE1-CB 4.18Å; F294-I298 HydrophobicContact CE1-CD1 4.02Å; F294-I298 HydrophobicContact CE1-CG1 4.2Å; F294-I298 PolarHBondContact O-N 3.25Å; F294-I298 VanDerWaalsContact O-N 3.13Å; N295-I298 WeakPolarHBondContact O-CG2 3.34Å; N295-I298 PolarHBondContact O-N 2.94Å; I298-L301 WeakPolarHBondContact O-CB 3.32Å; I298-L301 PolarHBondContact O-N 2.93Å; I298-L302 HydrophobicContact CG1-CD1 4.21Å; I298-L302 HydrophobicContact CG1-CG 4.3Å; I298-L302 HydrophobicContact CG2-CD1 4.38Å; I298-L302 WeakPolarHBondContact O-CG 3.31Å; I298-L302 PolarHBondContact O-N 3.26Å |
| 299 | N | 85.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -52.3 | -177 | -62.4 | -18.9 | 0 | 0 | 0 | 112.2 | D80 V250 N295 C297 L301 L302 Y303 | D80-N299 PolarHBondContact OD2-ND2 3.24Å; V250-N299 WeakPolarHBondContact CG1-OD1 3.26Å; N295-N299 PolarHBondContact O-ND2 3.48Å; N295-N299 PolarHBondContact O-OD1 3.27Å; C297-N299 VanDerWaalsContact C-N 3.33Å; N299-L301 PolarHBondContact O-N 3.43Å; N299-L302 PolarHBondContact O-N 2.92Å; N299-Y303 HydrophobicContact CB-CE2 4.03Å; N299-Y303 WeakPolarHBondContact O-CD2 3.39Å; N299-Y303 PolarHBondContact O-N 3.43Å |
| 300 | P | 77.6 | Confident | 79.7 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.5 | -39.4 | 173 | -27.4 | 35.2 | 0 | 0 | 0 | 115.6 | G52 N53 L302 Y303 M304 | G52-P300 VanDerWaalsContact C-CG 3.41Å; G52-P300 VanDerWaalsContact CA-CB 3.41Å; N53-P300 HydrophobicContact CB-CG 4.46Å; N53-P300 WeakPolarHBondContact OD1-CD 3.27Å; N53-P300 WeakPolarHBondContact OD1-CG 3.46Å; P300-L302 VanDerWaalsContact C-N 3.31Å; P300-L302 PolarHBondContact O-N 2.94Å; P300-Y303 PolarHBondContact O-N 3.47Å; P300-M304 WeakPolarHBondContact O-CG 3.42Å; P300-M304 PolarHBondContact O-N 3.47Å |
| 301 | L | 77.3 | Confident | 78.4 | Confident | 66 Ų | 66 | 45.2 Ų | 45.2 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.7 | -67.6 | 179.5 | 0 | 0 | 0 | 110.4 | L48 I298 N299 Y303 M304 L305 | L48-L301 HydrophobicContact CD1-CD1 3.95Å; L48-L301 HydrophobicContact CD1-CD2 4.41Å; L48-L301 HydrophobicContact CD1-CG 4.4Å; I298-L301 WeakPolarHBondContact O-CB 3.32Å; I298-L301 PolarHBondContact O-N 2.93Å; N299-L301 PolarHBondContact O-N 3.43Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 2.82Å; L301-M304 WeakPolarHBondContact O-CB 3.45Å; L301-M304 PolarHBondContact O-N 2.89Å; L301-L305 WeakPolarHBondContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.1Å; L301-L305 PolarHBondContact O-N 3.29Å |
| 302 | L | 78.3 | Confident | 77 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -38 | 177.1 | -66 | 173 | 0 | 0 | 0 | 111.6 | A249 V250 A253 I298 N299 P300 M304 L305 L306 | A249-L302 HydrophobicContact CB-CD1 4.47Å; A249-L302 HydrophobicContact CB-CD2 4.21Å; V250-L302 HydrophobicContact CB-CD1 4.34Å; V250-L302 HydrophobicContact CG2-CB 3.79Å; V250-L302 HydrophobicContact CG2-CD1 3.77Å; V250-L302 HydrophobicContact CG2-CG 4.45Å; A253-L302 HydrophobicContact CB-CD1 3.73Å; I298-L302 HydrophobicContact CG1-CD1 4.21Å; I298-L302 HydrophobicContact CG1-CG 4.3Å; I298-L302 HydrophobicContact CG2-CD1 4.38Å; I298-L302 WeakPolarHBondContact O-CG 3.31Å; I298-L302 PolarHBondContact O-N 3.26Å; N299-L302 PolarHBondContact O-N 2.92Å; P300-L302 VanDerWaalsContact C-N 3.31Å; P300-L302 PolarHBondContact O-N 2.94Å; L302-M304 PolarHBondContact O-N 3.23Å; L302-L305 PolarHBondContact O-N 2.95Å; L302-L306 HydrophobicContact CB-CD1 4.48Å; L302-L306 HydrophobicContact CD2-CD1 4.25Å; L302-L306 VanDerWaalsContact O-CB 3.25Å; L302-L306 WeakPolarHBondContact O-CB 3.22Å; L302-L306 WeakPolarHBondContact O-CG 3.28Å; L302-L306 PolarHBondContact O-N 3.45Å |
| 303 | Y | 73.6 | Confident | 75.6 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.055 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 172.7 | -57 | -34.1 | 0 | 0 | 0 | 112 | V56 L73 L76 T246 V250 N299 P300 L301 S307 | V56-Y303 HydrophobicContact CG2-CD2 3.67Å; V56-Y303 HydrophobicContact CG2-CE2 4.17Å; L73-Y303 HydrophobicContact CD2-CE1 3.85Å; L73-Y303 HydrophobicContact CD2-CE2 4.49Å; L76-Y303 WeakPolarHBondContact CD2-OH 3.2Å; T246-Y303 HydrophobicContact CG2-CD1 3.61Å; T246-Y303 HydrophobicContact CG2-CE1 4.25Å; V250-Y303 HydrophobicContact CG2-CD1 4.3Å; V250-Y303 HydrophobicContact CG2-CE1 3.71Å; N299-Y303 HydrophobicContact CB-CE2 4.03Å; N299-Y303 WeakPolarHBondContact O-CD2 3.39Å; N299-Y303 PolarHBondContact O-N 3.43Å; P300-Y303 PolarHBondContact O-N 3.47Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 2.82Å; Y303-S307 WeakPolarHBondContact O-CA 3.45Å; Y303-S307 WeakPolarHBondContact O-CB 3.21Å; Y303-S307 PolarHBondContact O-N 2.76Å |
| 304 | M | 69.8 | Low | 74.2 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.4 | -44.7 | 177.7 | -75.9 | -67.9 | -81.4 | 0 | 0 | 113.3 | P300 L301 L302 V310 R311 L314 | P300-M304 WeakPolarHBondContact O-CG 3.42Å; P300-M304 PolarHBondContact O-N 3.47Å; L301-M304 WeakPolarHBondContact O-CB 3.45Å; L301-M304 PolarHBondContact O-N 2.89Å; L302-M304 PolarHBondContact O-N 3.23Å; M304-V310 HydrophobicContact SD-CG1 4.24Å; M304-R311 PolarHBondContact O-NE 3.05Å; M304-R311 PolarHBondContact O-NH2 3Å; M304-R311 VanDerWaalsContact O-NH2 3.12Å; M304-L314 HydrophobicContact CE-CB 4.12Å; M304-L314 HydrophobicContact CE-CD1 4.21Å; M304-L314 HydrophobicContact CG-CD1 4.31Å; M304-L314 HydrophobicContact SD-CB 3.96Å; M304-L314 HydrophobicContact SD-CD1 3.17Å; M304-L314 WeakPolarHBondContact SD-CD1 3.25Å; M304-L314 HydrophobicContact SD-CG 4.16Å |
| 305 | L | 65.8 | Low | 72.9 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 62% | 0.623 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -76.1 | -26.1 | -175.8 | -67.6 | 173.9 | 0 | 0 | 0 | 113.1 | L301 L302 R311 | L301-L305 WeakPolarHBondContact O-CB 3.24Å; L301-L305 WeakPolarHBondContact O-CG 3.1Å; L301-L305 PolarHBondContact O-N 3.29Å; L302-L305 PolarHBondContact O-N 2.95Å; L305-R311 PolarHBondContact O-NH2 3.14Å |
| 306 | L | 59.5 | Low | 71.8 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -117.5 | -15 | -171.6 | -55.9 | 173.6 | 0 | 0 | 0 | 114.5 | S242 T246 A249 L302 | S242-L306 PolarHBondContact OG-O 3.43Å; T246-L306 HydrophobicContact CG2-CB 3.98Å; T246-L306 WeakPolarHBondContact OG1-CB 3.22Å; T246-L306 PolarHBondContact OG1-O 3.06Å; A249-L306 HydrophobicContact CB-CD1 3.3Å; L302-L306 HydrophobicContact CB-CD1 4.48Å; L302-L306 HydrophobicContact CD2-CD1 4.25Å; L302-L306 VanDerWaalsContact O-CB 3.25Å; L302-L306 WeakPolarHBondContact O-CB 3.22Å; L302-L306 WeakPolarHBondContact O-CG 3.28Å; L302-L306 PolarHBondContact O-N 3.45Å |
| 307 | S | 66.6 | Low | 70.5 | Confident | 20 Ų | 20 | 61 Ų | 61 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | trans | -106.1 | 104.2 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | Y303 K309 V310 R311 | Y303-S307 WeakPolarHBondContact O-CA 3.45Å; Y303-S307 WeakPolarHBondContact O-CB 3.21Å; Y303-S307 PolarHBondContact O-N 2.76Å; S307-K309 PolarHBondContact O-N 3.3Å; S307-V310 PolarHBondContact O-N 3.29Å; S307-V310 WeakPolarHBondContact OG-CG2 3.22Å; S307-V310 PolarHBondContact OG-N 2.83Å; S307-R311 WeakPolarHBondContact O-CB 3.49Å; S307-R311 PolarHBondContact O-N 3.48Å | ||
| 308 | K | 63.8 | Low | 69.4 | Low | 146 Ų | 146 | 64.7 Ų | 64.7 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -54.5 | -40.5 | 175.2 | -66.5 | -174 | 178.9 | -174.1 | 0 | 112.3 | R311 H312 | K308-R311 PolarHBondContact O-N 3.24Å; K308-H312 PolarHBondContact O-CD2 3.18Å; K308-H312 PolarHBondContact O-N 3.33Å |
| 309 | K | 63.3 | Low | 68.6 | Low | 137 Ų | 137 | 67.5 Ų | 67.5 | 60% | 0.596 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | -179.1 | -175.1 | -179.4 | 179.1 | -174.2 | 0 | 112 | S307 H312 I313 | S307-K309 PolarHBondContact O-N 3.3Å; K309-H312 PolarHBondContact O-N 2.86Å; K309-I313 HydrophobicContact CG-CD1 4.05Å; K309-I313 WeakPolarHBondContact O-CG1 3.45Å; K309-I313 PolarHBondContact O-N 3.36Å; K309-I313 VanDerWaalsContact O-N 3.09Å |
| 310 | V | 57.8 | Low | 67.9 | Low | 35 Ų | 35 | 72.2 Ų | 72.2 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 179 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | M304 S307 H312 I313 L314 | M304-V310 HydrophobicContact SD-CG1 4.24Å; S307-V310 PolarHBondContact O-N 3.29Å; S307-V310 WeakPolarHBondContact OG-CG2 3.22Å; S307-V310 PolarHBondContact OG-N 2.83Å; V310-H312 PolarHBondContact O-N 3.4Å; V310-I313 PolarHBondContact O-N 2.87Å; V310-L314 HydrophobicContact CG1-CD1 3.68Å; V310-L314 WeakPolarHBondContact O-CB 3.28Å; V310-L314 PolarHBondContact O-N 3.14Å |
| 311 | R | 65.3 | Low | 67.6 | Low | 86 Ų | 86 | 76.8 Ų | 76.8 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 174.6 | -169 | -175 | -51.7 | 162.4 | 11.1 | 112.9 | M304 L305 S307 K308 K315 | M304-R311 PolarHBondContact O-NE 3.05Å; M304-R311 PolarHBondContact O-NH2 3Å; M304-R311 VanDerWaalsContact O-NH2 3.12Å; L305-R311 PolarHBondContact O-NH2 3.14Å; S307-R311 WeakPolarHBondContact O-CB 3.49Å; S307-R311 PolarHBondContact O-N 3.48Å; K308-R311 PolarHBondContact O-N 3.24Å; R311-K315 HydrophobicContact CG-CD 4.37Å; R311-K315 VanDerWaalsContact O-CB 3.28Å; R311-K315 WeakPolarHBondContact O-CB 3.43Å; R311-K315 VanDerWaalsContact O-CG 3.27Å; R311-K315 WeakPolarHBondContact O-CG 3.49Å; R311-K315 PolarHBondContact O-N 3.43Å |
| 312 | H | 66.4 | Low | 67.1 | Low | 117 Ų | 117 | 77.1 Ų | 77.1 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 176.5 | -83.6 | -69.8 | 0 | 0 | 0 | 111.6 | K308 K309 V310 L314 K315 D316 | K308-H312 PolarHBondContact O-CD2 3.18Å; K308-H312 PolarHBondContact O-N 3.33Å; K309-H312 PolarHBondContact O-N 2.86Å; V310-H312 PolarHBondContact O-N 3.4Å; H312-L314 VanDerWaalsContact C-N 3.3Å; H312-L314 PolarHBondContact O-N 3.33Å; H312-K315 PolarHBondContact O-N 2.94Å; H312-D316 WeakPolarHBondContact O-CB 3.4Å; H312-D316 VanDerWaalsContact O-CG 3.23Å; H312-D316 PolarHBondContact O-N 3.49Å |
| 313 | I | 65.1 | Low | 66.9 | Low | 53 Ų | 53 | 82.1 Ų | 82.1 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 179.3 | -66.6 | 167 | 0 | 0 | 0 | 111.4 | V59 K309 V310 D316 A317 | V59-I313 HydrophobicContact CG1-CD1 4.27Å; V59-I313 HydrophobicContact CG1-CG2 4.34Å; V59-I313 HydrophobicContact CG2-CG2 3.85Å; K309-I313 HydrophobicContact CG-CD1 4.05Å; K309-I313 WeakPolarHBondContact O-CG1 3.45Å; K309-I313 PolarHBondContact O-N 3.36Å; K309-I313 VanDerWaalsContact O-N 3.09Å; V310-I313 PolarHBondContact O-N 2.87Å; I313-D316 PolarHBondContact O-N 2.92Å; I313-A317 WeakPolarHBondContact O-CB 3.42Å; I313-A317 PolarHBondContact O-N 2.9Å |
| 314 | L | 63.1 | Low | 66.6 | Low | 40 Ų | 40 | 84 Ų | 84 | 21% | 0.209 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -76.6 | -33.5 | -179.9 | -75.8 | 167.2 | 0 | 0 | 0 | 113.1 | A55 M304 V310 H312 C318 | A55-L314 HydrophobicContact CB-CD1 4.4Å; A55-L314 HydrophobicContact CB-CD2 3.79Å; M304-L314 HydrophobicContact CE-CB 4.12Å; M304-L314 HydrophobicContact CE-CD1 4.21Å; M304-L314 HydrophobicContact CG-CD1 4.31Å; M304-L314 HydrophobicContact SD-CB 3.96Å; M304-L314 HydrophobicContact SD-CD1 3.17Å; M304-L314 WeakPolarHBondContact SD-CD1 3.25Å; M304-L314 HydrophobicContact SD-CG 4.16Å; V310-L314 HydrophobicContact CG1-CD1 3.68Å; V310-L314 WeakPolarHBondContact O-CB 3.28Å; V310-L314 PolarHBondContact O-N 3.14Å; H312-L314 VanDerWaalsContact C-N 3.3Å; H312-L314 PolarHBondContact O-N 3.33Å; L314-C318 WeakPolarHBondContact O-CB 3.33Å; L314-C318 PolarHBondContact O-N 3.22Å |
| 315 | K | 67.8 | Low | 66.5 | Low | 124 Ų | 124 | 83.5 Ų | 83.5 | 54% | 0.539 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 168.4 | -81 | -174.6 | 173.7 | -163.6 | 0 | 111 | R311 H312 C318 L319 | R311-K315 HydrophobicContact CG-CD 4.37Å; R311-K315 VanDerWaalsContact O-CB 3.28Å; R311-K315 WeakPolarHBondContact O-CB 3.43Å; R311-K315 VanDerWaalsContact O-CG 3.27Å; R311-K315 WeakPolarHBondContact O-CG 3.49Å; R311-K315 PolarHBondContact O-N 3.43Å; H312-K315 PolarHBondContact O-N 2.94Å; K315-C318 PolarHBondContact O-N 3.4Å; K315-L319 VanDerWaalsContact O-CB 3.3Å; K315-L319 WeakPolarHBondContact O-CB 3.41Å; K315-L319 WeakPolarHBondContact O-CG 3.27Å; K315-L319 PolarHBondContact O-N 2.97Å |
| 316 | D | 69.1 | Low | 66.6 | Low | 86 Ų | 86 | 83 Ų | 83 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 179.6 | -67.3 | -16.2 | 0 | 0 | 0 | 111.4 | H312 I313 N320 | H312-D316 WeakPolarHBondContact O-CB 3.4Å; H312-D316 VanDerWaalsContact O-CG 3.23Å; H312-D316 PolarHBondContact O-N 3.49Å; I313-D316 PolarHBondContact O-N 2.92Å; D316-N320 VanDerWaalsContact O-CB 3.31Å; D316-N320 WeakPolarHBondContact O-CB 3.49Å; D316-N320 PolarHBondContact O-N 3.03Å; D316-N320 PolarHBondContact O-ND2 3.34Å; D316-N320 VanDerWaalsContact O-ND2 3.08Å |
| 317 | A | 65.3 | Low | 67.1 | Low | 37 Ų | 37 | 89 Ų | 89 | 31% | 0.306 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I313 N320 I321 | I313-A317 WeakPolarHBondContact O-CB 3.42Å; I313-A317 PolarHBondContact O-N 2.9Å; A317-N320 PolarHBondContact O-N 3.24Å; A317-I321 VanDerWaalsContact O-CG1 3.29Å; A317-I321 WeakPolarHBondContact O-CG1 3.42Å; A317-I321 PolarHBondContact O-N 3.31Å |
| 318 | C | 68.4 | Low | 67.4 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 177 | -170.2 | 0 | 0 | 0 | 0 | 110.8 | L314 K315 N320 I321 T322 | L314-C318 WeakPolarHBondContact O-CB 3.33Å; L314-C318 PolarHBondContact O-N 3.22Å; K315-C318 PolarHBondContact O-N 3.4Å; C318-N320 VanDerWaalsContact C-N 3.28Å; C318-N320 PolarHBondContact O-N 3.26Å; C318-I321 PolarHBondContact O-N 3.36Å; C318-T322 PolarHBondContact O-N 3.41Å; C318-T322 PolarHBondContact O-OG1 3.37Å |
| 319 | L | 71.6 | Confident | 67.3 | Low | 94 Ų | 94 | 91.8 Ų | 91.8 | 49% | 0.492 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 176.3 | -73.3 | 169.8 | 0 | 0 | 0 | 112.5 | K315 K323 | K315-L319 VanDerWaalsContact O-CB 3.3Å; K315-L319 WeakPolarHBondContact O-CB 3.41Å; K315-L319 WeakPolarHBondContact O-CG 3.27Å; K315-L319 PolarHBondContact O-N 2.97Å; L319-K323 VanDerWaalsContact O-CB 3.26Å; L319-K323 WeakPolarHBondContact O-CB 3.49Å; L319-K323 WeakPolarHBondContact O-CG 3.06Å; L319-K323 PolarHBondContact O-N 3.26Å |
| 320 | N | 70.4 | Confident | 67.6 | Low | 100 Ų | 100 | 88.6 Ų | 88.6 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.8 | -39.3 | 177.6 | -72 | -25.8 | 0 | 0 | 0 | 112.2 | D316 A317 C318 K323 S324 | D316-N320 VanDerWaalsContact O-CB 3.31Å; D316-N320 WeakPolarHBondContact O-CB 3.49Å; D316-N320 PolarHBondContact O-N 3.03Å; D316-N320 PolarHBondContact O-ND2 3.34Å; D316-N320 VanDerWaalsContact O-ND2 3.08Å; A317-N320 PolarHBondContact O-N 3.24Å; C318-N320 VanDerWaalsContact C-N 3.28Å; C318-N320 PolarHBondContact O-N 3.26Å; N320-K323 PolarHBondContact O-N 3.41Å; N320-S324 PolarHBondContact O-N 2.83Å; N320-S324 PolarHBondContact O-OG 2.98Å |
| 321 | I | 71 | Confident | 68.3 | Low | 104 Ų | 104 | 93.1 Ų | 93.1 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 174.4 | -67.6 | 164.6 | 0 | 0 | 0 | 110.4 | A317 C318 K323 S324 S325 | A317-I321 VanDerWaalsContact O-CG1 3.29Å; A317-I321 WeakPolarHBondContact O-CG1 3.42Å; A317-I321 PolarHBondContact O-N 3.31Å; C318-I321 PolarHBondContact O-N 3.36Å; I321-K323 VanDerWaalsContact C-N 3.27Å; I321-K323 PolarHBondContact O-N 3.09Å; I321-S324 WeakPolarHBondContact CA-OG 3.35Å; I321-S324 PolarHBondContact O-N 3.34Å; I321-S324 PolarHBondContact O-OG 2.72Å; I321-S325 WeakPolarHBondContact O-CB 3.3Å; I321-S325 PolarHBondContact O-N 2.75Å; I321-S325 PolarHBondContact O-OG 3.08Å |
| 322 | T | 68.3 | Low | 68.3 | Low | 72 Ų | 72 | 91.8 Ų | 91.8 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 176.6 | -48 | 0 | 0 | 0 | 0 | 110.9 | C318 L326 | C318-T322 PolarHBondContact O-N 3.41Å; C318-T322 PolarHBondContact O-OG1 3.37Å; T322-L326 HydrophobicContact CG2-CD1 4.1Å; T322-L326 VanDerWaalsContact O-CB 3.24Å; T322-L326 WeakPolarHBondContact O-CB 3.17Å; T322-L326 PolarHBondContact O-N 3.14Å |
| 323 | K | 72.8 | Confident | 68.4 | Low | 132 Ų | 132 | 90.4 Ų | 90.4 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 174.7 | -79.6 | 174.8 | -178.2 | -179.3 | 0 | 112.9 | L319 N320 I321 R327 | L319-K323 VanDerWaalsContact O-CB 3.26Å; L319-K323 WeakPolarHBondContact O-CB 3.49Å; L319-K323 WeakPolarHBondContact O-CG 3.06Å; L319-K323 PolarHBondContact O-N 3.26Å; N320-K323 PolarHBondContact O-N 3.41Å; I321-K323 VanDerWaalsContact C-N 3.27Å; I321-K323 PolarHBondContact O-N 3.09Å; K323-R327 WeakPolarHBondContact O-CB 3.32Å; K323-R327 PolarHBondContact O-N 3.46Å |
| 324 | S | 67.6 | Low | 68.7 | Low | 53 Ų | 53 | 90.7 Ų | 90.7 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 111 | N320 I321 L326 R327 E328 | N320-S324 PolarHBondContact O-N 2.83Å; N320-S324 PolarHBondContact O-OG 2.98Å; I321-S324 WeakPolarHBondContact CA-OG 3.35Å; I321-S324 PolarHBondContact O-N 3.34Å; I321-S324 PolarHBondContact O-OG 2.72Å; S324-L326 PolarHBondContact O-N 2.78Å; S324-R327 WeakPolarHBondContact O-CB 3.46Å; S324-R327 PolarHBondContact O-N 2.83Å; S324-R327 VanDerWaalsContact O-N 3.13Å; S324-E328 WeakPolarHBondContact O-CG 3.43Å; S324-E328 PolarHBondContact O-N 3.21Å |
| 325 | S | 67.4 | Low | 68.6 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | I321 R327 E328 L329 | I321-S325 WeakPolarHBondContact O-CB 3.3Å; I321-S325 PolarHBondContact O-N 2.75Å; I321-S325 PolarHBondContact O-OG 3.08Å; S325-R327 VanDerWaalsContact C-N 3.34Å; S325-E328 PolarHBondContact O-N 3.37Å; S325-L329 VanDerWaalsContact O-CB 3.29Å; S325-L329 WeakPolarHBondContact O-CB 3.37Å; S325-L329 PolarHBondContact O-N 3.09Å |
| 326 | L | 67.7 | Low | 68.3 | Low | 109 Ų | 109 | 89.2 Ų | 89.2 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.3 | -37.7 | 171.3 | -98.4 | 155.5 | 0 | 0 | 0 | 112.2 | T322 S324 S330 | T322-L326 HydrophobicContact CG2-CD1 4.1Å; T322-L326 VanDerWaalsContact O-CB 3.24Å; T322-L326 WeakPolarHBondContact O-CB 3.17Å; T322-L326 PolarHBondContact O-N 3.14Å; S324-L326 PolarHBondContact O-N 2.78Å; L326-S330 WeakPolarHBondContact O-CB 3.37Å; L326-S330 PolarHBondContact O-N 2.95Å |
| 327 | R | 71.4 | Confident | 67.7 | Low | 188 Ų | 188 | 89.6 Ų | 89.6 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 175 | -101.2 | -177.9 | 165.8 | -173.5 | -5.3 | 111.6 | K323 S324 S325 L329 S330 Q331 | K323-R327 WeakPolarHBondContact O-CB 3.32Å; K323-R327 PolarHBondContact O-N 3.46Å; S324-R327 WeakPolarHBondContact O-CB 3.46Å; S324-R327 PolarHBondContact O-N 2.83Å; S324-R327 VanDerWaalsContact O-N 3.13Å; S325-R327 VanDerWaalsContact C-N 3.34Å; R327-L329 VanDerWaalsContact C-N 3.35Å; R327-S330 PolarHBondContact O-N 2.9Å; R327-Q331 WeakPolarHBondContact O-CB 3.34Å; R327-Q331 VanDerWaalsContact O-CG 3.25Å; R327-Q331 WeakPolarHBondContact O-CG 3.38Å; R327-Q331 PolarHBondContact O-N 3.28Å |
| 328 | E | 71.4 | Confident | 67.5 | Low | 122 Ų | 122 | 93 Ų | 93 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 176.4 | -74.1 | 171 | -177.6 | 0 | 0 | 110.9 | S324 S325 Q331 S332 | S324-E328 WeakPolarHBondContact O-CG 3.43Å; S324-E328 PolarHBondContact O-N 3.21Å; S325-E328 PolarHBondContact O-N 3.37Å; E328-Q331 PolarHBondContact O-N 2.87Å; E328-S332 PolarHBondContact O-N 2.93Å; E328-S332 PolarHBondContact O-OG 2.93Å |
| 329 | L | 63.3 | Low | 67 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 176.7 | -160.2 | 79.8 | 0 | 0 | 0 | 112.2 | S325 R327 Q331 S332 I333 | S325-L329 VanDerWaalsContact O-CB 3.29Å; S325-L329 WeakPolarHBondContact O-CB 3.37Å; S325-L329 PolarHBondContact O-N 3.09Å; R327-L329 VanDerWaalsContact C-N 3.35Å; L329-Q331 VanDerWaalsContact C-N 3.32Å; L329-S332 WeakPolarHBondContact CA-OG 3.46Å; L329-S332 PolarHBondContact O-N 3.41Å; L329-S332 PolarHBondContact O-OG 3.21Å; L329-I333 HydrophobicContact CG-CD1 4.22Å; L329-I333 WeakPolarHBondContact O-CB 3.48Å; L329-I333 WeakPolarHBondContact O-CD1 3.22Å; L329-I333 WeakPolarHBondContact O-CG1 3.36Å; L329-I333 PolarHBondContact O-N 3.43Å |
| 330 | S | 67.7 | Low | 66.3 | Low | 70 Ų | 70 | 95.5 Ų | 95.5 | 49% | 0.49 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | L326 R327 S334 | L326-S330 WeakPolarHBondContact O-CB 3.37Å; L326-S330 PolarHBondContact O-N 2.95Å; R327-S330 PolarHBondContact O-N 2.9Å; S330-S334 PolarHBondContact O-N 2.93Å; S330-S334 PolarHBondContact O-OG 3.39Å; S330-S334 VanDerWaalsContact O-OG 3.06Å |
| 331 | Q | 73.4 | Confident | 65.5 | Low | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.5 | -40.8 | 176.1 | -76.3 | 173.4 | -20.1 | 0 | 0 | 111.4 | R327 E328 L329 S334 A335 | R327-Q331 WeakPolarHBondContact O-CB 3.34Å; R327-Q331 VanDerWaalsContact O-CG 3.25Å; R327-Q331 WeakPolarHBondContact O-CG 3.38Å; R327-Q331 PolarHBondContact O-N 3.28Å; E328-Q331 PolarHBondContact O-N 2.87Å; L329-Q331 VanDerWaalsContact C-N 3.32Å; Q331-S334 PolarHBondContact O-N 3.09Å; Q331-A335 WeakPolarHBondContact O-CB 3.41Å; Q331-A335 PolarHBondContact O-N 3.24Å |
| 332 | S | 66.1 | Low | 64.8 | Low | 57 Ų | 57 | 99 Ų | 99 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | E328 L329 A335 T336 | E328-S332 PolarHBondContact O-N 2.93Å; E328-S332 PolarHBondContact O-OG 2.93Å; L329-S332 WeakPolarHBondContact CA-OG 3.46Å; L329-S332 PolarHBondContact O-N 3.41Å; L329-S332 PolarHBondContact O-OG 3.21Å; S332-A335 PolarHBondContact O-N 3.2Å; S332-T336 PolarHBondContact O-N 3.22Å; S332-T336 PolarHBondContact O-OG1 2.67Å |
| 333 | I | 67.6 | Low | 63.9 | Low | 88 Ų | 88 | 98.5 Ų | 98.5 | 45% | 0.451 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 174.8 | -68.4 | 164.8 | 0 | 0 | 0 | 110.2 | L329 A335 T336 D337 | L329-I333 HydrophobicContact CG-CD1 4.22Å; L329-I333 WeakPolarHBondContact O-CB 3.48Å; L329-I333 WeakPolarHBondContact O-CD1 3.22Å; L329-I333 WeakPolarHBondContact O-CG1 3.36Å; L329-I333 PolarHBondContact O-N 3.43Å; I333-A335 VanDerWaalsContact C-N 3.3Å; I333-A335 PolarHBondContact O-N 3.31Å; I333-T336 PolarHBondContact O-N 3.29Å; I333-T336 VanDerWaalsContact O-N 3.13Å; I333-D337 PolarHBondContact O-N 3.39Å |
| 334 | S | 70.8 | Confident | 63 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -36 | 178.1 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | S330 Q331 I338 | S330-S334 PolarHBondContact O-N 2.93Å; S330-S334 PolarHBondContact O-OG 3.39Å; S330-S334 VanDerWaalsContact O-OG 3.06Å; Q331-S334 PolarHBondContact O-N 3.09Å; S334-I338 WeakPolarHBondContact O-CD1 3.34Å; S334-I338 VanDerWaalsContact O-CG1 3.24Å; S334-I338 WeakPolarHBondContact O-CG1 3.13Å; S334-I338 PolarHBondContact O-N 3.45Å; S334-I338 VanDerWaalsContact O-N 3.13Å |
| 335 | A | 62.7 | Low | 62.1 | Low | 52 Ų | 52 | 101 Ų | 101 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q331 S332 I333 I338 E339 | Q331-A335 WeakPolarHBondContact O-CB 3.41Å; Q331-A335 PolarHBondContact O-N 3.24Å; S332-A335 PolarHBondContact O-N 3.2Å; I333-A335 VanDerWaalsContact C-N 3.3Å; I333-A335 PolarHBondContact O-N 3.31Å; A335-I338 PolarHBondContact O-N 3.28Å; A335-E339 PolarHBondContact O-N 3.44Å; A335-E339 VanDerWaalsContact O-N 3.07Å |
| 336 | T | 60.3 | Low | 61.3 | Low | 80 Ų | 80 | 105.1 Ų | 105.1 | 49% | 0.491 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.2 | -35.8 | 178 | -46.9 | 0 | 0 | 0 | 0 | 112 | S332 I333 E339 T340 | S332-T336 PolarHBondContact O-N 3.22Å; S332-T336 PolarHBondContact O-OG1 2.67Å; I333-T336 PolarHBondContact O-N 3.29Å; I333-T336 VanDerWaalsContact O-N 3.13Å; T336-E339 PolarHBondContact O-N 3.41Å; T336-T340 PolarHBondContact O-N 3.19Å; T336-T340 PolarHBondContact O-OG1 3.32Å |
| 337 | D | 57.8 | Low | 60.6 | Low | 94 Ų | 94 | 107.2 Ų | 107.2 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.7 | -34.8 | 175.7 | -70.7 | -25.1 | 0 | 0 | 0 | 112 | I333 T340 M341 | I333-D337 PolarHBondContact O-N 3.39Å; D337-T340 WeakPolarHBondContact CA-OG1 2.86Å; D337-T340 PolarHBondContact O-OG1 3.47Å; D337-M341 WeakPolarHBondContact O-CG 3.21Å; D337-M341 PolarHBondContact O-N 3.39Å |
| 338 | I | 59.7 | Low | 59.6 | Low | 110 Ų | 110 | 101.8 Ų | 101.8 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.6 | -41.1 | 175 | -69.2 | 166.9 | 0 | 0 | 0 | 110.7 | S334 A335 M341 H342 | S334-I338 WeakPolarHBondContact O-CD1 3.34Å; S334-I338 VanDerWaalsContact O-CG1 3.24Å; S334-I338 WeakPolarHBondContact O-CG1 3.13Å; S334-I338 PolarHBondContact O-N 3.45Å; S334-I338 VanDerWaalsContact O-N 3.13Å; A335-I338 PolarHBondContact O-N 3.28Å; I338-M341 PolarHBondContact O-N 3.13Å; I338-H342 WeakPolarHBondContact O-CB 3.32Å; I338-H342 PolarHBondContact O-N 3.44Å |
| 339 | E | 58.3 | Low | 58.5 | Low | 147 Ų | 147 | 100.9 Ų | 100.9 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.2 | -40 | 176.1 | -81.4 | -177.3 | 164.3 | 0 | 0 | 112.7 | A335 T336 H342 S343 | A335-E339 PolarHBondContact O-N 3.44Å; A335-E339 VanDerWaalsContact O-N 3.07Å; T336-E339 PolarHBondContact O-N 3.41Å; E339-H342 PolarHBondContact O-N 3.08Å; E339-S343 PolarHBondContact O-N 3.4Å |
| 340 | T | 57.1 | Low | 57.9 | Low | 74 Ų | 74 | 101.5 Ų | 101.5 | 45% | 0.454 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.9 | -34.4 | 175 | 32.4 | 0 | 0 | 0 | 0 | 112.6 | T336 D337 S343 V344 | T336-T340 PolarHBondContact O-N 3.19Å; T336-T340 PolarHBondContact O-OG1 3.32Å; D337-T340 WeakPolarHBondContact CA-OG1 2.86Å; D337-T340 PolarHBondContact O-OG1 3.47Å; T340-S343 PolarHBondContact O-OG 3.04Å; T340-S343 VanDerWaalsContact O-OG 3.11Å; T340-V344 VanDerWaalsContact O-CG2 3.25Å; T340-V344 WeakPolarHBondContact O-CG2 3.34Å; T340-V344 PolarHBondContact O-N 3.05Å |
| 341 | M | 54.1 | Low | 56.9 | Low | 152 Ų | 152 | 106.2 Ų | 106.2 | 75% | 0.749 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.3 | -35.9 | 172 | -75.4 | -147.9 | 130.8 | 0 | 0 | 112.8 | D337 I338 H345 | D337-M341 WeakPolarHBondContact O-CG 3.21Å; D337-M341 PolarHBondContact O-N 3.39Å; I338-M341 PolarHBondContact O-N 3.13Å; M341-H345 WeakPolarHBondContact O-CB 3.48Å; M341-H345 PolarHBondContact O-N 3.4Å |
| 342 | H | 54.8 | Low | 55.6 | Low | 127 Ų | 127 | 108.5 Ų | 108.5 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.6 | -38.5 | 176.7 | -123.1 | -88.6 | 0 | 0 | 0 | 112.3 | I338 E339 H345 Q346 | I338-H342 WeakPolarHBondContact O-CB 3.32Å; I338-H342 PolarHBondContact O-N 3.44Å; E339-H342 PolarHBondContact O-N 3.08Å; H342-H345 PolarHBondContact O-N 3.15Å; H342-Q346 WeakPolarHBondContact O-CB 3.4Å; H342-Q346 PolarHBondContact O-N 3.19Å |
| 343 | S | 50.1 | Low | 54.7 | Low | 61 Ų | 61 | 111.1 Ų | 111.1 | 43% | 0.427 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.9 | -41 | 176.4 | 72.4 | 0 | 0 | 0 | 0 | 112.3 | E339 T340 H345 Q346 D347 | E339-S343 PolarHBondContact O-N 3.4Å; T340-S343 PolarHBondContact O-OG 3.04Å; T340-S343 VanDerWaalsContact O-OG 3.11Å; S343-H345 VanDerWaalsContact C-N 3.29Å; S343-H345 PolarHBondContact O-N 3.18Å; S343-Q346 PolarHBondContact O-N 3.11Å; S343-D347 PolarHBondContact O-N 3.23Å |
| 344 | V | 53.7 | Low | 53.5 | Low | 102 Ų | 102 | 113.9 Ų | 113.9 | 62% | 0.618 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.3 | -34.2 | 175 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | T340 S348 | T340-V344 VanDerWaalsContact O-CG2 3.25Å; T340-V344 WeakPolarHBondContact O-CG2 3.34Å; T340-V344 PolarHBondContact O-N 3.05Å; V344-S348 PolarHBondContact O-OG 2.83Å |
| 345 | H | 49.7 | Very low | 52.4 | Low | 134 Ų | 134 | 117.1 Ų | 117.1 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.4 | -27.9 | 178.6 | -148 | -16.2 | 0 | 0 | 0 | 113 | M341 H342 S343 S348 | M341-H345 WeakPolarHBondContact O-CB 3.48Å; M341-H345 PolarHBondContact O-N 3.4Å; H342-H345 PolarHBondContact O-N 3.15Å; S343-H345 VanDerWaalsContact C-N 3.29Å; S343-H345 PolarHBondContact O-N 3.18Å; H345-S348 WeakPolarHBondContact CA-OG 3.49Å; H345-S348 PolarHBondContact O-OG 3.31Å |
| 346 | Q | 49.4 | Very low | 51.7 | Low | 148 Ų | 148 | 120 Ų | 120 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.7 | -27.7 | 179.7 | -154.9 | 154.6 | -6.4 | 0 | 0 | 112.5 | H342 S343 S348 | H342-Q346 WeakPolarHBondContact O-CB 3.4Å; H342-Q346 PolarHBondContact O-N 3.19Å; S343-Q346 PolarHBondContact O-N 3.11Å; Q346-S348 VanDerWaalsContact C-N 3.28Å; Q346-S348 PolarHBondContact O-N 3.01Å |
| 347 | D | 52.5 | Low | 50.8 | Low | 152 Ų | 152 | 121.6 Ų | 121.6 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -5.1 | 172.5 | -75.4 | -23.1 | 0 | 0 | 0 | 114 | S343 | S343-D347 PolarHBondContact O-N 3.23Š|
| 348 | S | 50.6 | Low | 50.3 | Low | 75 Ų | 75 | 123 Ų | 123 | 52% | 0.524 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.3 | 5.2 | -176 | 48.5 | 0 | 0 | 0 | 0 | 115.2 | V344 H345 Q346 P350 | V344-S348 PolarHBondContact O-OG 2.83Å; H345-S348 WeakPolarHBondContact CA-OG 3.49Å; H345-S348 PolarHBondContact O-OG 3.31Å; Q346-S348 VanDerWaalsContact C-N 3.28Å; Q346-S348 PolarHBondContact O-N 3.01Å; S348-P350 WeakPolarHBondContact O-CD 3.17Å |
| 349 | V | 49.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 62% | 0.624 | 73% | 0.729 | S | S | * | * | trans | -92.2 | 114.8 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 350 | P | 49.6 | Very low | 49 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 130.3 | 172.7 | -6.1 | 23.5 | 0 | 0 | 0 | 109.9 | S348 E352 | S348-P350 WeakPolarHBondContact O-CD 3.17Å; P350-E352 PolarHBondContact O-N 3.24Å |
| 351 | D | 48.3 | Very low | 48.5 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117 | 173.4 | -80.5 | -38.4 | 0 | 0 | 0 | 111 | ||
| 352 | E | 45.9 | Very low | 48.2 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 132.1 | 173.4 | -159.4 | 174 | -155.5 | 0 | 0 | 109.8 | P350 | P350-E352 PolarHBondContact O-N 3.24Š|
| 353 | P | 47.3 | Very low | 47.8 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 132.7 | -169.4 | 28.5 | -32.6 | 0 | 0 | 0 | 112.2 | V355 | P353-V355 PolarHBondContact O-N 3.1Š|
| 354 | T | 42.6 | Very low | 47.7 | Very low | 146 Ų | 146 | 135 Ų | 135 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | trans | -69.4 | 111 | 179.7 | -23.9 | 0 | 0 | 0 | 0 | 110.7 | S356 | T354-S356 PolarHBondContact O-N 3.16Š| ||
| 355 | V | 47.8 | Very low | 47.3 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -79.9 | 111.1 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 109 | P353 | P353-V355 PolarHBondContact O-N 3.1Š| ||
| 356 | S | 46.1 | Very low | 47.1 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -71 | 124.8 | 168.4 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | T354 | T354-S356 PolarHBondContact O-N 3.16Š| ||
| 357 | S | 41.7 | Very low | 47 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -129.1 | 111 | 167.2 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 358 | T | 47.8 | Very low | 46.5 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -81.5 | 116.5 | 161 | 39.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 359 | L | 41.1 | Very low | 46.1 | Very low | 247 Ų | 247 | 140.8 Ų | 140.8 | 100% | 1.293 | 83% | 0.831 | S | S | * | * | 166 | 0 | 128 | -96.9 | 157.6 | 0 | 0 | 0 | 110.6 |
Retrieved 359 of 359 residues in 95.8 ms
(Link to these results)