| 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 | 37.9 | Very low | 45.6 | Very low | 237 Ų | 237 | 164.6 Ų | 164.6 | 100% | 1.167 | 79% | 0.793 | S | S | * | * | 0 | 105.9 | 0 | -86.9 | 173.1 | 171.4 | 0 | 0 | 108.6 | H3 | M1-H3 PolarHBondContact O-N 3.1Š| |||
| 2 | M | 39.8 | Very low | 47.3 | Very low | 194 Ų | 194 | 158.9 Ų | 158.9 | 96% | 0.956 | 77% | 0.77 | S | S | * | * | trans | -70.6 | 107.1 | 175 | -99.7 | 176.4 | 149 | 0 | 0 | 108.6 | K4 | M2-K4 PolarHBondContact O-N 3.32Š| ||
| 3 | H | 39 | Very low | 48.8 | Very low | 173 Ų | 173 | 156.5 Ų | 156.5 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -60.5 | 103.7 | 167.4 | -97.8 | -92.9 | 0 | 0 | 0 | 107.7 | M1 F5 | M1-H3 PolarHBondContact O-N 3.1Å; H3-F5 PolarHBondContact O-N 3.37Å | ||
| 4 | K | 42.6 | Very low | 50.3 | Low | 203 Ų | 203 | 158.2 Ų | 158.2 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -58.9 | 94 | 162.4 | -80 | -179.3 | 175.9 | 178.3 | 0 | 106 | M2 R6 | M2-K4 PolarHBondContact O-N 3.32Å; K4-R6 PolarHBondContact O-N 2.71Å | ||
| 5 | F | 43.5 | Very low | 51.7 | Low | 187 Ų | 187 | 151.7 Ų | 151.7 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | trans | -58.1 | 97.7 | 164 | -118.8 | -94.5 | 0 | 0 | 0 | 104.8 | H3 I7 | H3-F5 PolarHBondContact O-N 3.37Å; F5-I7 PolarHBondContact O-N 2.94Å | ||
| 6 | R | 45 | Very low | 53 | Low | 233 Ų | 233 | 149.1 Ų | 149.1 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | trans | -62.4 | 92.2 | 168.5 | -169.3 | -172.6 | -85.7 | -170.1 | -4.8 | 102.4 | K4 G8 | K4-R6 PolarHBondContact O-N 2.71Å; R6-G8 PolarHBondContact O-N 2.84Å | ||
| 7 | I | 44.9 | Very low | 54.2 | Low | 148 Ų | 148 | 150.4 Ų | 150.4 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | -59.3 | 91.5 | 169.3 | -62.9 | 171.3 | 0 | 0 | 0 | 102.6 | F5 K9 | F5-I7 PolarHBondContact O-N 2.94Å; I7-K9 PolarHBondContact O-N 3.39Å | ||
| 8 | G | 48.3 | Very low | 55.5 | Low | 46 Ų | 46 | 145.6 Ų | 145.6 | 47% | 0.474 | 70% | 0.695 | S | S | . | * | trans | -50.8 | 121.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 103.5 | R6 V10 | R6-G8 PolarHBondContact O-N 2.84Å; G8-V10 WeakPolarHBondContact O-CG2 3.28Å; G8-V10 PolarHBondContact O-N 2.75Å | ||
| 9 | K | 51.6 | Low | 56.6 | Low | 185 Ų | 185 | 146.2 Ų | 146.2 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | -47.9 | 97.2 | 177.2 | -137.9 | 179 | -176.1 | -179.7 | 0 | 105.7 | I7 D11 | I7-K9 PolarHBondContact O-N 3.39Å; K9-D11 PolarHBondContact O-N 3.38Å | ||
| 10 | V | 51.7 | Low | 57.6 | Low | 121 Ų | 121 | 145.8 Ų | 145.8 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | trans | -74.3 | 85 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 101.4 | G8 N12 | G8-V10 WeakPolarHBondContact O-CG2 3.28Å; G8-V10 PolarHBondContact O-N 2.75Å; V10-N12 PolarHBondContact O-N 3.34Å | ||
| 11 | D | 57.8 | Low | 58.7 | Low | 84 Ų | 84 | 142.2 Ų | 142.2 | 45% | 0.449 | 67% | 0.668 | S | S | . | * | trans | -58.4 | 97.8 | 165.5 | -97.5 | -11.7 | 0 | 0 | 0 | 104.1 | K9 L13 | K9-D11 PolarHBondContact O-N 3.38Å; D11-L13 PolarHBondContact O-N 3.06Å | ||
| 12 | N | 65.8 | Low | 60.7 | Low | 96 Ų | 96 | 136.8 Ų | 136.8 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | trans | -63.2 | 134.6 | -170.1 | -155.3 | -10.9 | 0 | 0 | 0 | 106.3 | V10 W14 T15 Q16 | V10-N12 PolarHBondContact O-N 3.34Å; N12-W14 CarbonylContact O-C 3.57Å; N12-W14 PolarHBondContact O-N 2.87Å; N12-T15 PolarHBondContact N-OG1 3.43Å; N12-T15 VanDerWaalsContact N-OG1 3.11Å; N12-T15 PolarHBondContact O-N 2.96Å; N12-T15 PolarHBondContact O-OG1 3.42Å; N12-Q16 PolarHBondContact O-N 3Å; N12-Q16 VanDerWaalsContact O-N 3.13Å | ||
| 13 | L | 67 | Low | 62.8 | Low | 128 Ų | 128 | 132.6 Ų | 132.6 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -49.6 | -31.3 | 177.7 | -106 | 147.8 | 0 | 0 | 0 | 111.5 | D11 R17 | D11-L13 PolarHBondContact O-N 3.06Å; L13-R17 WeakPolarHBondContact O-CB 3.26Å; L13-R17 PolarHBondContact O-N 3.47Å |
| 14 | W | 68.7 | Low | 64.6 | Low | 180 Ų | 180 | 131.8 Ų | 131.8 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.9 | -50 | 172.8 | -164.7 | 86.2 | 0 | 0 | 0 | 113.2 | N12 Q16 R17 V18 | N12-W14 CarbonylContact O-C 3.57Å; N12-W14 PolarHBondContact O-N 2.87Å; W14-Q16 VanDerWaalsContact C-N 3.32Å; W14-Q16 PolarHBondContact O-N 3.15Å; W14-R17 PolarHBondContact O-N 2.8Å; W14-V18 HydrophobicContact CD2-CG2 4.02Å; W14-V18 HydrophobicContact CE3-CG2 3.98Å; W14-V18 HydrophobicContact CH2-CG2 3.94Å; W14-V18 HydrophobicContact CZ2-CG2 3.97Å; W14-V18 HydrophobicContact CZ3-CG2 3.94Å; W14-V18 WeakPolarHBondContact O-CG2 3.49Å; W14-V18 PolarHBondContact O-N 3.3Å |
| 15 | T | 71.3 | Confident | 66.2 | Low | 61 Ų | 61 | 129.4 Ų | 129.4 | 37% | 0.374 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.9 | -35.8 | 177 | 35.2 | 0 | 0 | 0 | 0 | 112.9 | N12 R19 | N12-T15 PolarHBondContact N-OG1 3.43Å; N12-T15 VanDerWaalsContact N-OG1 3.11Å; N12-T15 PolarHBondContact O-N 2.96Å; N12-T15 PolarHBondContact O-OG1 3.42Å; T15-R19 WeakPolarHBondContact O-CB 3.36Å; T15-R19 PolarHBondContact O-N 3.34Å; T15-R19 VanDerWaalsContact O-N 3.08Å |
| 16 | Q | 73.8 | Confident | 67.8 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.8 | -45.1 | 173.9 | -74.1 | -175 | -15.8 | 0 | 0 | 111.6 | N12 W14 V18 R19 Y20 | N12-Q16 PolarHBondContact O-N 3Å; N12-Q16 VanDerWaalsContact O-N 3.13Å; W14-Q16 VanDerWaalsContact C-N 3.32Å; W14-Q16 PolarHBondContact O-N 3.15Å; Q16-V18 PolarHBondContact O-N 3.32Å; Q16-R19 PolarHBondContact O-N 2.85Å; Q16-Y20 WeakPolarHBondContact O-CB 3.14Å; Q16-Y20 PolarHBondContact O-N 2.82Å |
| 17 | R | 73.4 | Confident | 69.3 | Low | 171 Ų | 171 | 122.1 Ų | 122.1 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.7 | -42.1 | 177.9 | -172.3 | -176.8 | -63.8 | -153.1 | -0.5 | 112.4 | L13 W14 Y20 N21 | L13-R17 WeakPolarHBondContact O-CB 3.26Å; L13-R17 PolarHBondContact O-N 3.47Å; W14-R17 PolarHBondContact O-N 2.8Å; R17-Y20 PolarHBondContact O-N 2.95Å; R17-N21 PolarHBondContact O-N 3.28Å; R17-N21 PolarHBondContact O-ND2 3.31Å |
| 18 | V | 77.2 | Confident | 70.5 | Confident | 65 Ų | 65 | 117.7 Ų | 117.7 | 39% | 0.394 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | W14 Q16 N21 L22 | W14-V18 HydrophobicContact CD2-CG2 4.02Å; W14-V18 HydrophobicContact CE3-CG2 3.98Å; W14-V18 HydrophobicContact CH2-CG2 3.94Å; W14-V18 HydrophobicContact CZ2-CG2 3.97Å; W14-V18 HydrophobicContact CZ3-CG2 3.94Å; W14-V18 WeakPolarHBondContact O-CG2 3.49Å; W14-V18 PolarHBondContact O-N 3.3Å; Q16-V18 PolarHBondContact O-N 3.32Å; V18-N21 PolarHBondContact O-N 3.16Å; V18-L22 WeakPolarHBondContact O-CB 3.46Å; V18-L22 PolarHBondContact O-N 2.85Å |
| 19 | R | 77 | Confident | 71.3 | Confident | 157 Ų | 157 | 117.7 Ų | 117.7 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.7 | -46.6 | 177.4 | -168 | -178.8 | -64 | 177.2 | 3.3 | 111.8 | T15 Q16 N21 L22 E23 | T15-R19 WeakPolarHBondContact O-CB 3.36Å; T15-R19 PolarHBondContact O-N 3.34Å; T15-R19 VanDerWaalsContact O-N 3.08Å; Q16-R19 PolarHBondContact O-N 2.85Å; R19-N21 PolarHBondContact O-N 3.49Å; R19-L22 PolarHBondContact O-N 3.45Å; R19-E23 WeakPolarHBondContact O-CG 3.46Å; R19-E23 PolarHBondContact O-N 3.44Å |
| 20 | Y | 75.7 | Confident | 72.5 | Confident | 138 Ų | 138 | 113 Ų | 113 | 54% | 0.541 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 177.4 | -178.9 | -98.2 | 0 | 0 | 0 | 112.4 | Q16 R17 R24 | Q16-Y20 WeakPolarHBondContact O-CB 3.14Å; Q16-Y20 PolarHBondContact O-N 2.82Å; R17-Y20 PolarHBondContact O-N 2.95Å; Y20-R24 PolarHBondContact O-N 3.21Å; Y20-R24 VanDerWaalsContact O-N 3.13Å |
| 21 | N | 80.6 | Confident | 73.1 | Confident | 70 Ų | 70 | 112 Ų | 112 | 37% | 0.374 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 177.5 | -73.6 | -22.8 | 0 | 0 | 0 | 112 | R17 V18 R19 E23 R24 F25 | R17-N21 PolarHBondContact O-N 3.28Å; R17-N21 PolarHBondContact O-ND2 3.31Å; V18-N21 PolarHBondContact O-N 3.16Å; R19-N21 PolarHBondContact O-N 3.49Å; N21-E23 PolarHBondContact O-N 3.05Å; N21-R24 WeakPolarHBondContact O-CB 3.44Å; N21-R24 PolarHBondContact O-N 2.98Å; N21-F25 HydrophobicContact CB-CE2 4.47Å; N21-F25 WeakPolarHBondContact O-CD2 3.22Å; N21-F25 PolarHBondContact O-N 3.14Å |
| 22 | L | 80.9 | Confident | 73 | Confident | 123 Ų | 123 | 115.1 Ų | 115.1 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 179.5 | -162.4 | 86.5 | 0 | 0 | 0 | 111.9 | V18 R19 F25 K26 | V18-L22 WeakPolarHBondContact O-CB 3.46Å; V18-L22 PolarHBondContact O-N 2.85Å; R19-L22 PolarHBondContact O-N 3.45Å; L22-F25 PolarHBondContact O-N 3.31Å; L22-K26 WeakPolarHBondContact O-CB 3.35Å; L22-K26 PolarHBondContact O-N 3.3Å |
| 23 | E | 82.4 | Confident | 72.5 | Confident | 106 Ų | 106 | 119 Ų | 119 | 50% | 0.495 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.2 | -75 | 171.4 | -174.2 | 0 | 0 | 111.1 | R19 N21 F25 K26 E27 | R19-E23 WeakPolarHBondContact O-CG 3.46Å; R19-E23 PolarHBondContact O-N 3.44Å; N21-E23 PolarHBondContact O-N 3.05Å; E23-F25 PolarHBondContact O-N 3.21Å; E23-K26 WeakPolarHBondContact O-CB 3.47Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact O-N 3.14Å; E23-E27 PolarHBondContact O-N 3.24Å |
| 24 | R | 77.6 | Confident | 71.9 | Confident | 156 Ų | 156 | 118.3 Ų | 118.3 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 176.7 | -153.7 | -172.3 | -152.3 | -174.7 | 6.8 | 112.9 | Y20 N21 K26 A28 | Y20-R24 PolarHBondContact O-N 3.21Å; Y20-R24 VanDerWaalsContact O-N 3.13Å; N21-R24 WeakPolarHBondContact O-CB 3.44Å; N21-R24 PolarHBondContact O-N 2.98Å; R24-K26 VanDerWaalsContact C-N 3.34Å; R24-A28 WeakPolarHBondContact O-CB 3.24Å; R24-A28 PolarHBondContact O-N 3.4Å |
| 25 | F | 76.4 | Confident | 71 | Confident | 154 Ų | 154 | 117.8 Ų | 117.8 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 174.6 | -78.4 | -63.2 | 0 | 0 | 0 | 111.9 | N21 L22 E23 A28 S29 | N21-F25 HydrophobicContact CB-CE2 4.47Å; N21-F25 WeakPolarHBondContact O-CD2 3.22Å; N21-F25 PolarHBondContact O-N 3.14Å; L22-F25 PolarHBondContact O-N 3.31Å; E23-F25 PolarHBondContact O-N 3.21Å; F25-A28 PolarHBondContact O-N 3.04Å; F25-S29 WeakPolarHBondContact O-CB 3.15Å; F25-S29 PolarHBondContact O-N 3.15Å; F25-S29 PolarHBondContact O-OG 2.91Å |
| 26 | K | 77.6 | Confident | 70 | Confident | 142 Ų | 142 | 117.5 Ų | 117.5 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 176.8 | -168.3 | 178.8 | 178.7 | -175.2 | 0 | 110.9 | L22 E23 R24 A28 S29 I30 | L22-K26 WeakPolarHBondContact O-CB 3.35Å; L22-K26 PolarHBondContact O-N 3.3Å; E23-K26 WeakPolarHBondContact O-CB 3.47Å; E23-K26 PolarHBondContact O-N 2.99Å; E23-K26 VanDerWaalsContact O-N 3.14Å; R24-K26 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.96Å; K26-S29 PolarHBondContact O-N 3.49Å; K26-S29 PolarHBondContact O-OG 3.25Å; K26-I30 HydrophobicContact CG-CD1 4.1Å; K26-I30 VanDerWaalsContact O-CG1 3.31Å; K26-I30 WeakPolarHBondContact O-CG1 3.48Å; K26-I30 PolarHBondContact O-N 3.26Å |
| 27 | E | 75.1 | Confident | 69.1 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.3 | -46.2 | 174.3 | -75 | 177 | 176 | 0 | 0 | 112.1 | E23 S29 I30 N31 | E23-E27 PolarHBondContact O-N 3.24Å; E27-S29 VanDerWaalsContact C-N 3.32Å; E27-S29 PolarHBondContact O-N 3.12Å; E27-I30 PolarHBondContact O-N 3.4Å; E27-N31 WeakPolarHBondContact O-CB 3.49Å; E27-N31 VanDerWaalsContact O-CG 3.28Å; E27-N31 PolarHBondContact O-N 3.15Å; E27-N31 PolarHBondContact O-ND2 3.22Å |
| 28 | A | 69.8 | Low | 68.2 | Low | 55 Ų | 55 | 113.3 Ų | 113.3 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R24 F25 K26 I30 N31 Q32 | R24-A28 WeakPolarHBondContact O-CB 3.24Å; R24-A28 PolarHBondContact O-N 3.4Å; F25-A28 PolarHBondContact O-N 3.04Å; K26-A28 PolarHBondContact O-N 2.96Å; A28-I30 PolarHBondContact O-N 3.41Å; A28-N31 PolarHBondContact O-N 3.27Å; A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 PolarHBondContact O-N 2.76Å |
| 29 | S | 66.9 | Low | 66.9 | Low | 46 Ų | 46 | 115.3 Ų | 115.3 | 32% | 0.322 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 178.4 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | F25 K26 E27 R33 | F25-S29 WeakPolarHBondContact O-CB 3.15Å; F25-S29 PolarHBondContact O-N 3.15Å; F25-S29 PolarHBondContact O-OG 2.91Å; K26-S29 PolarHBondContact O-N 3.49Å; K26-S29 PolarHBondContact O-OG 3.25Å; E27-S29 VanDerWaalsContact C-N 3.32Å; E27-S29 PolarHBondContact O-N 3.12Å; S29-R33 PolarHBondContact O-N 3.36Å; S29-R33 VanDerWaalsContact O-N 3.16Å |
| 30 | I | 74.8 | Confident | 65.8 | Low | 86 Ų | 86 | 112.6 Ų | 112.6 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.7 | -46.6 | 176.6 | -68.7 | 165.4 | 0 | 0 | 0 | 109.7 | K26 E27 A28 Q32 R33 Q34 | K26-I30 HydrophobicContact CG-CD1 4.1Å; K26-I30 VanDerWaalsContact O-CG1 3.31Å; K26-I30 WeakPolarHBondContact O-CG1 3.48Å; K26-I30 PolarHBondContact O-N 3.26Å; E27-I30 PolarHBondContact O-N 3.4Å; A28-I30 PolarHBondContact O-N 3.41Å; I30-Q32 VanDerWaalsContact C-N 3.29Å; I30-Q32 PolarHBondContact O-N 3.11Å; I30-R33 PolarHBondContact O-N 3.09Å; I30-Q34 WeakPolarHBondContact O-CB 3.36Å; I30-Q34 PolarHBondContact O-N 3.23Å |
| 31 | N | 65.6 | Low | 64.8 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 177.7 | -69.6 | -20.4 | 0 | 0 | 0 | 111.8 | E27 A28 Q34 Y35 | E27-N31 WeakPolarHBondContact O-CB 3.49Å; E27-N31 VanDerWaalsContact O-CG 3.28Å; E27-N31 PolarHBondContact O-N 3.15Å; E27-N31 PolarHBondContact O-ND2 3.22Å; A28-N31 PolarHBondContact O-N 3.27Å; N31-Q34 PolarHBondContact O-N 3.22Å; N31-Y35 WeakPolarHBondContact O-CB 3.34Å; N31-Y35 PolarHBondContact O-N 3.22Å |
| 32 | Q | 56.2 | Low | 63.4 | Low | 149 Ų | 149 | 113.6 Ų | 113.6 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 177.3 | -169.7 | 178.1 | -14.3 | 0 | 0 | 112.2 | A28 I30 Y35 S36 | A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 PolarHBondContact O-N 2.76Å; I30-Q32 VanDerWaalsContact C-N 3.29Å; I30-Q32 PolarHBondContact O-N 3.11Å; Q32-Y35 PolarHBondContact O-N 2.95Å; Q32-S36 PolarHBondContact O-N 3.37Å |
| 33 | R | 55.1 | Low | 62.2 | Low | 177 Ų | 177 | 111.5 Ų | 111.5 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 173.1 | -73.5 | -175 | -153 | -177.4 | 4 | 111.6 | S29 I30 Y35 S36 D37 | S29-R33 PolarHBondContact O-N 3.36Å; S29-R33 VanDerWaalsContact O-N 3.16Å; I30-R33 PolarHBondContact O-N 3.09Å; R33-Y35 VanDerWaalsContact C-N 3.26Å; R33-Y35 PolarHBondContact O-N 3.12Å; R33-S36 PolarHBondContact O-N 3.04Å; R33-S36 VanDerWaalsContact O-N 3.16Å; R33-D37 WeakPolarHBondContact O-CB 3.41Å; R33-D37 VanDerWaalsContact O-CG 3.26Å; R33-D37 PolarHBondContact O-N 2.84Å |
| 34 | Q | 54.9 | Low | 60.9 | Low | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 179.6 | -168 | 176.9 | -14 | 0 | 0 | 112.4 | I30 N31 N38 | I30-Q34 WeakPolarHBondContact O-CB 3.36Å; I30-Q34 PolarHBondContact O-N 3.23Å; N31-Q34 PolarHBondContact O-N 3.22Å; Q34-N38 WeakPolarHBondContact O-CB 3.19Å; Q34-N38 VanDerWaalsContact O-CG 3.27Å; Q34-N38 PolarHBondContact O-N 3.41Å; Q34-N38 PolarHBondContact O-ND2 3.16Å |
| 35 | Y | 48.2 | Very low | 59.7 | Low | 169 Ų | 169 | 108.7 Ų | 108.7 | 66% | 0.663 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.2 | -47.8 | 172.4 | -170.5 | -91.1 | 0 | 0 | 0 | 111.7 | N31 Q32 R33 N38 E39 | N31-Y35 WeakPolarHBondContact O-CB 3.34Å; N31-Y35 PolarHBondContact O-N 3.22Å; Q32-Y35 PolarHBondContact O-N 2.95Å; R33-Y35 VanDerWaalsContact C-N 3.26Å; R33-Y35 PolarHBondContact O-N 3.12Å; Y35-N38 PolarHBondContact O-N 2.9Å; Y35-E39 PolarHBondContact O-N 2.99Å |
| 36 | S | 50.8 | Low | 58.6 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 177 | -166.7 | 0 | 0 | 0 | 0 | 112 | Q32 R33 N38 E39 D40 | Q32-S36 PolarHBondContact O-N 3.37Å; R33-S36 PolarHBondContact O-N 3.04Å; R33-S36 VanDerWaalsContact O-N 3.16Å; S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact O-N 3.48Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 VanDerWaalsContact O-N 3.14Å; S36-D40 PolarHBondContact O-N 2.84Å |
| 37 | D | 56 | Low | 57.7 | Low | 95 Ų | 95 | 102.7 Ų | 102.7 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 179.1 | -68.9 | -19.8 | 0 | 0 | 0 | 110.9 | R33 I41 | R33-D37 WeakPolarHBondContact O-CB 3.41Å; R33-D37 VanDerWaalsContact O-CG 3.26Å; R33-D37 PolarHBondContact O-N 2.84Å; D37-I41 WeakPolarHBondContact O-CB 3.42Å; D37-I41 WeakPolarHBondContact O-CD1 3.45Å; D37-I41 WeakPolarHBondContact O-CG1 3.38Å; D37-I41 PolarHBondContact O-N 3.26Å |
| 38 | N | 53.6 | Low | 56.7 | Low | 98 Ų | 98 | 99.5 Ų | 99.5 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 176.5 | -79.8 | -17.3 | 0 | 0 | 0 | 112.8 | Q34 Y35 S36 F42 | Q34-N38 WeakPolarHBondContact O-CB 3.19Å; Q34-N38 VanDerWaalsContact O-CG 3.27Å; Q34-N38 PolarHBondContact O-N 3.41Å; Q34-N38 PolarHBondContact O-ND2 3.16Å; Y35-N38 PolarHBondContact O-N 2.9Å; S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact O-N 3.48Å; N38-F42 VanDerWaalsContact O-CB 3.3Å; N38-F42 WeakPolarHBondContact O-CB 3.27Å; N38-F42 PolarHBondContact O-N 2.94Å |
| 39 | E | 50.8 | Low | 56.2 | Low | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 177.3 | -168.8 | 171.5 | -173.2 | 0 | 0 | 111.3 | Y35 S36 F42 T43 | Y35-E39 PolarHBondContact O-N 2.99Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 VanDerWaalsContact O-N 3.14Å; E39-F42 PolarHBondContact O-N 3.45Å; E39-T43 WeakPolarHBondContact O-CB 3.13Å; E39-T43 PolarHBondContact O-N 2.92Å; E39-T43 PolarHBondContact O-OG1 3.5Å |
| 40 | D | 53.1 | Low | 55.8 | Low | 100 Ų | 100 | 104 Ų | 104 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.9 | -72.2 | -25.9 | 0 | 0 | 0 | 111.3 | S36 F42 T43 L44 | S36-D40 PolarHBondContact O-N 2.84Å; D40-F42 VanDerWaalsContact C-N 3.34Å; D40-F42 PolarHBondContact O-N 2.95Å; D40-T43 PolarHBondContact O-N 3.42Å; D40-L44 VanDerWaalsContact O-CB 3.31Å; D40-L44 WeakPolarHBondContact O-CB 3.38Å; D40-L44 PolarHBondContact O-N 3.33Å |
| 41 | I | 53.7 | Low | 55.3 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 47% | 0.472 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.3 | -70.4 | 165.1 | 0 | 0 | 0 | 110.9 | D37 N45 | D37-I41 WeakPolarHBondContact O-CB 3.42Å; D37-I41 WeakPolarHBondContact O-CD1 3.45Å; D37-I41 WeakPolarHBondContact O-CG1 3.38Å; D37-I41 PolarHBondContact O-N 3.26Å; I41-N45 WeakPolarHBondContact O-CB 3.35Å; I41-N45 PolarHBondContact O-N 3.09Å; I41-N45 PolarHBondContact O-ND2 3.37Å |
| 42 | F | 52.8 | Low | 55.2 | Low | 137 Ų | 137 | 104.4 Ų | 104.4 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 177.1 | 177.7 | -100.3 | 0 | 0 | 0 | 111.1 | N38 E39 D40 L44 N45 V46 | N38-F42 VanDerWaalsContact O-CB 3.3Å; N38-F42 WeakPolarHBondContact O-CB 3.27Å; N38-F42 PolarHBondContact O-N 2.94Å; E39-F42 PolarHBondContact O-N 3.45Å; D40-F42 VanDerWaalsContact C-N 3.34Å; D40-F42 PolarHBondContact O-N 2.95Å; F42-L44 PolarHBondContact O-N 2.92Å; F42-N45 PolarHBondContact O-N 2.91Å; F42-V46 HydrophobicContact CD1-CG2 4.41Å; F42-V46 HydrophobicContact CE1-CG2 4Å; F42-V46 HydrophobicContact CE2-CG2 4.2Å; F42-V46 HydrophobicContact CZ-CG2 3.89Å; F42-V46 WeakPolarHBondContact O-CG2 3.34Å; F42-V46 PolarHBondContact O-N 3.45Å |
| 43 | T | 54.1 | Low | 55.7 | Low | 79 Ų | 79 | 100 Ų | 100 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | -179.5 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | E39 D40 V46 L47 | E39-T43 WeakPolarHBondContact O-CB 3.13Å; E39-T43 PolarHBondContact O-N 2.92Å; E39-T43 PolarHBondContact O-OG1 3.5Å; D40-T43 PolarHBondContact O-N 3.42Å; T43-V46 PolarHBondContact O-N 3.32Å; T43-L47 WeakPolarHBondContact O-CB 3.41Å; T43-L47 PolarHBondContact O-N 2.76Å |
| 44 | L | 54.9 | Low | 56 | Low | 113 Ų | 113 | 95.3 Ų | 95.3 | 59% | 0.592 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 176.7 | -174 | 67.7 | 0 | 0 | 0 | 112 | D40 F42 L47 A48 | D40-L44 VanDerWaalsContact O-CB 3.31Å; D40-L44 WeakPolarHBondContact O-CB 3.38Å; D40-L44 PolarHBondContact O-N 3.33Å; F42-L44 PolarHBondContact O-N 2.92Å; L44-L47 PolarHBondContact O-N 3.37Å; L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.26Å |
| 45 | N | 52.9 | Low | 56.5 | Low | 90 Ų | 90 | 92.6 Ų | 92.6 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.6 | -74.5 | -22 | 0 | 0 | 0 | 111.7 | I41 F42 A48 I49 | I41-N45 WeakPolarHBondContact O-CB 3.35Å; I41-N45 PolarHBondContact O-N 3.09Å; I41-N45 PolarHBondContact O-ND2 3.37Å; F42-N45 PolarHBondContact O-N 2.91Å; N45-A48 PolarHBondContact O-N 3.27Å; N45-I49 WeakPolarHBondContact O-CD1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.5Å; N45-I49 PolarHBondContact O-N 3.37Å |
| 46 | V | 53.7 | Low | 57.4 | Low | 68 Ų | 68 | 87.3 Ų | 87.3 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | F42 T43 I49 T50 | F42-V46 HydrophobicContact CD1-CG2 4.41Å; F42-V46 HydrophobicContact CE1-CG2 4Å; F42-V46 HydrophobicContact CE2-CG2 4.2Å; F42-V46 HydrophobicContact CZ-CG2 3.89Å; F42-V46 WeakPolarHBondContact O-CG2 3.34Å; F42-V46 PolarHBondContact O-N 3.45Å; T43-V46 PolarHBondContact O-N 3.32Å; V46-I49 PolarHBondContact O-N 3.39Å; V46-T50 WeakPolarHBondContact O-CG2 3.35Å; V46-T50 PolarHBondContact O-N 3.27Å; V46-T50 PolarHBondContact O-OG1 3.39Å |
| 47 | L | 58.2 | Low | 57.9 | Low | 102 Ų | 102 | 85.2 Ų | 85.2 | 53% | 0.534 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 178 | -175.3 | 131 | 0 | 0 | 0 | 112.7 | T43 L44 I49 T50 V51 | T43-L47 WeakPolarHBondContact O-CB 3.41Å; T43-L47 PolarHBondContact O-N 2.76Å; L44-L47 PolarHBondContact O-N 3.37Å; L47-I49 VanDerWaalsContact C-N 3.34Å; L47-I49 PolarHBondContact O-N 3.11Å; L47-T50 WeakPolarHBondContact CA-OG1 3.19Å; L47-T50 PolarHBondContact O-N 3.09Å; L47-T50 PolarHBondContact O-OG1 3.24Å; L47-V51 HydrophobicContact CD2-CG2 4.39Å; L47-V51 HydrophobicContact CG-CG2 4.48Å; L47-V51 WeakPolarHBondContact O-CB 3.46Å; L47-V51 VanDerWaalsContact O-CG2 3.3Å; L47-V51 WeakPolarHBondContact O-CG2 3.39Å; L47-V51 PolarHBondContact O-N 3.12Å |
| 48 | A | 55.2 | Low | 58.2 | Low | 56 Ų | 56 | 83 Ų | 83 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L44 N45 L52 | L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.26Å; N45-A48 PolarHBondContact O-N 3.27Å; A48-L52 VanDerWaalsContact O-CB 3.27Å; A48-L52 WeakPolarHBondContact O-CB 2.91Å; A48-L52 PolarHBondContact O-N 3.06Å |
| 49 | I | 58.8 | Low | 58.8 | Low | 117 Ų | 117 | 80 Ų | 80 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.2 | -42.3 | 177.3 | -67.2 | 164.2 | 0 | 0 | 0 | 110.7 | N45 V46 L47 L52 Q53 | N45-I49 WeakPolarHBondContact O-CD1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.5Å; N45-I49 PolarHBondContact O-N 3.37Å; V46-I49 PolarHBondContact O-N 3.39Å; L47-I49 VanDerWaalsContact C-N 3.34Å; L47-I49 PolarHBondContact O-N 3.11Å; I49-L52 PolarHBondContact O-N 3.26Å; I49-Q53 WeakPolarHBondContact O-CB 3.12Å; I49-Q53 PolarHBondContact O-N 3.31Å |
| 50 | T | 58.3 | Low | 59.5 | Low | 78 Ų | 78 | 75.5 Ų | 75.5 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | V46 L47 Q53 F54 | V46-T50 WeakPolarHBondContact O-CG2 3.35Å; V46-T50 PolarHBondContact O-N 3.27Å; V46-T50 PolarHBondContact O-OG1 3.39Å; L47-T50 WeakPolarHBondContact CA-OG1 3.19Å; L47-T50 PolarHBondContact O-N 3.09Å; L47-T50 PolarHBondContact O-OG1 3.24Å; T50-Q53 PolarHBondContact O-N 3.21Å; T50-F54 WeakPolarHBondContact O-CB 3.27Å; T50-F54 PolarHBondContact O-N 3.38Å |
| 51 | V | 65.3 | Low | 59.9 | Low | 90 Ų | 90 | 71.2 Ų | 71.2 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L47 F54 A55 | L47-V51 HydrophobicContact CD2-CG2 4.39Å; L47-V51 HydrophobicContact CG-CG2 4.48Å; L47-V51 WeakPolarHBondContact O-CB 3.46Å; L47-V51 VanDerWaalsContact O-CG2 3.3Å; L47-V51 WeakPolarHBondContact O-CG2 3.39Å; L47-V51 PolarHBondContact O-N 3.12Å; V51-F54 WeakPolarHBondContact O-CB 3.31Å; V51-F54 PolarHBondContact O-N 3.03Å; V51-A55 PolarHBondContact O-N 2.98Å |
| 52 | L | 63.7 | Low | 60.3 | Low | 107 Ų | 107 | 72.4 Ų | 72.4 | 56% | 0.56 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 176.1 | -177.7 | 65.5 | 0 | 0 | 0 | 111.4 | A48 I49 F54 A55 I56 | A48-L52 VanDerWaalsContact O-CB 3.27Å; A48-L52 WeakPolarHBondContact O-CB 2.91Å; A48-L52 PolarHBondContact O-N 3.06Å; I49-L52 PolarHBondContact O-N 3.26Å; L52-F54 VanDerWaalsContact C-N 3.27Å; L52-F54 PolarHBondContact O-N 3.04Å; L52-A55 PolarHBondContact O-N 3.11Å; L52-I56 HydrophobicContact CD1-CD1 4.35Å; L52-I56 HydrophobicContact CG-CD1 4.05Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.43Å |
| 53 | Q | 64.7 | Low | 60.9 | Low | 56 Ų | 56 | 71 Ų | 71 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 175.6 | -174 | 71.9 | -9.3 | 0 | 0 | 110.9 | I49 T50 I56 T57 Y88 | I49-Q53 WeakPolarHBondContact O-CB 3.12Å; I49-Q53 PolarHBondContact O-N 3.31Å; T50-Q53 PolarHBondContact O-N 3.21Å; Q53-I56 PolarHBondContact O-N 3.01Å; Q53-T57 WeakPolarHBondContact O-CG2 3.47Å; Q53-T57 PolarHBondContact O-N 2.85Å; Q53-T57 PolarHBondContact O-OG1 3.01Å; Q53-Y88 PolarHBondContact NE2-OH 3.17Å |
| 54 | F | 62.7 | Low | 61.3 | Low | 78 Ų | 78 | 69.7 Ų | 69.7 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.7 | -156.6 | -93.3 | 0 | 0 | 0 | 111.9 | T50 V51 L52 I56 T57 F58 | T50-F54 WeakPolarHBondContact O-CB 3.27Å; T50-F54 PolarHBondContact O-N 3.38Å; V51-F54 WeakPolarHBondContact O-CB 3.31Å; V51-F54 PolarHBondContact O-N 3.03Å; L52-F54 VanDerWaalsContact C-N 3.27Å; L52-F54 PolarHBondContact O-N 3.04Å; F54-I56 VanDerWaalsContact C-N 3.29Å; F54-I56 PolarHBondContact O-N 2.79Å; F54-T57 WeakPolarHBondContact CA-OG1 3.24Å; F54-T57 PolarHBondContact O-N 2.9Å; F54-T57 PolarHBondContact O-OG1 3.17Å; F54-F58 AromaticContact CD1-CD2 3.4Å; F54-F58 HydrophobicContact CD1-CD2 3.4Å; F54-F58 VanDerWaalsContact CD1-CD2 3.4Å; F54-F58 AromaticContact CD1-CE2 3.59Å; F54-F58 HydrophobicContact CD1-CE2 3.59Å; F54-F58 HydrophobicContact CD1-CG 4.17Å; F54-F58 HydrophobicContact CD1-CZ 4.43Å; F54-F58 HydrophobicContact CD2-CD2 4.14Å; F54-F58 AromaticContact CD2-CE2 3.74Å; F54-F58 HydrophobicContact CD2-CE2 3.74Å; F54-F58 HydrophobicContact CE1-CD1 4.43Å; F54-F58 AromaticContact CE1-CD2 3.34Å; F54-F58 HydrophobicContact CE1-CD2 3.34Å; F54-F58 HydrophobicContact CE1-CE1 4.22Å; F54-F58 AromaticContact CE1-CE2 3.11Å; F54-F58 HydrophobicContact CE1-CE2 3.11Å; F54-F58 HydrophobicContact CE1-CG 4.01Å; F54-F58 AromaticContact CE1-CZ 3.55Å; F54-F58 HydrophobicContact CE1-CZ 3.55Å; F54-F58 HydrophobicContact CE2-CD2 4.09Å; F54-F58 AromaticContact CE2-CE2 3.3Å; F54-F58 HydrophobicContact CE2-CE2 3.3Å; F54-F58 AromaticContact CE2-CZ 3.94Å; F54-F58 HydrophobicContact CE2-CZ 3.94Å; F54-F58 AromaticContact CG-CD2 3.83Å; F54-F58 HydrophobicContact CG-CD2 3.83Å; F54-F58 AromaticContact CG-CE2 3.9Å; F54-F58 HydrophobicContact CG-CE2 3.9Å; F54-F58 AromaticContact CZ-CD2 3.73Å; F54-F58 HydrophobicContact CZ-CD2 3.73Å; F54-F58 HydrophobicContact CZ-CE1 4.29Å; F54-F58 AromaticContact CZ-CE2 2.96Å; F54-F58 HydrophobicContact CZ-CE2 2.96Å; F54-F58 AromaticContact CZ-CZ 3.27Å; F54-F58 HydrophobicContact CZ-CZ 3.27Å; F54-F58 WeakPolarHBondContact O-CB 3.3Å; F54-F58 VanDerWaalsContact O-CD2 3.29Å; F54-F58 WeakPolarHBondContact O-CD2 3.38Å; F54-F58 PolarHBondContact O-N 3.31Å |
| 55 | A | 65.1 | Low | 61.6 | Low | 58 Ų | 58 | 65 Ų | 65 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V51 L52 G59 | V51-A55 PolarHBondContact O-N 2.98Å; L52-A55 PolarHBondContact O-N 3.11Å; A55-G59 VanDerWaalsContact O-CA 3.3Å; A55-G59 WeakPolarHBondContact O-CA 3.33Å; A55-G59 PolarHBondContact O-N 3.44Å |
| 56 | I | 66.1 | Low | 62 | Low | 58 Ų | 58 | 64.9 Ų | 64.9 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 177 | -67.6 | 166.9 | 0 | 0 | 0 | 111 | L52 Q53 F54 G60 V120 | L52-I56 HydrophobicContact CD1-CD1 4.35Å; L52-I56 HydrophobicContact CG-CD1 4.05Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 3.43Å; Q53-I56 PolarHBondContact O-N 3.01Å; F54-I56 VanDerWaalsContact C-N 3.29Å; F54-I56 PolarHBondContact O-N 2.79Å; I56-G60 VanDerWaalsContact O-CA 3.28Å; I56-G60 WeakPolarHBondContact O-CA 3.28Å; I56-G60 PolarHBondContact O-N 3.38Å; I56-V120 HydrophobicContact CG2-CG2 4.05Å |
| 57 | T | 63.3 | Low | 62.7 | Low | 10 Ų | 10 | 64.4 Ų | 64.4 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 179.5 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | Q53 F54 T61 T119 A123 | Q53-T57 WeakPolarHBondContact O-CG2 3.47Å; Q53-T57 PolarHBondContact O-N 2.85Å; Q53-T57 PolarHBondContact O-OG1 3.01Å; F54-T57 WeakPolarHBondContact CA-OG1 3.24Å; F54-T57 PolarHBondContact O-N 2.9Å; F54-T57 PolarHBondContact O-OG1 3.17Å; T57-T61 WeakPolarHBondContact O-CB 3.45Å; T57-T61 VanDerWaalsContact O-CG2 3.31Å; T57-T61 WeakPolarHBondContact O-CG2 3.48Å; T57-T61 PolarHBondContact O-N 2.73Å; T57-T61 PolarHBondContact O-OG1 3.41Å; T57-T119 HydrophobicContact CG2-CG2 4.14Å; T57-A123 HydrophobicContact CG2-CB 3.88Å |
| 58 | F | 61.5 | Low | 62.8 | Low | 49 Ų | 49 | 66.2 Ų | 66.2 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73 | -47.4 | 178.4 | -82.9 | -96.9 | 0 | 0 | 0 | 113.2 | F54 G60 T61 Y62 G158 | F54-F58 AromaticContact CD1-CD2 3.4Å; F54-F58 HydrophobicContact CD1-CD2 3.4Å; F54-F58 VanDerWaalsContact CD1-CD2 3.4Å; F54-F58 AromaticContact CD1-CE2 3.59Å; F54-F58 HydrophobicContact CD1-CE2 3.59Å; F54-F58 HydrophobicContact CD1-CG 4.17Å; F54-F58 HydrophobicContact CD1-CZ 4.43Å; F54-F58 HydrophobicContact CD2-CD2 4.14Å; F54-F58 AromaticContact CD2-CE2 3.74Å; F54-F58 HydrophobicContact CD2-CE2 3.74Å; F54-F58 HydrophobicContact CE1-CD1 4.43Å; F54-F58 AromaticContact CE1-CD2 3.34Å; F54-F58 HydrophobicContact CE1-CD2 3.34Å; F54-F58 HydrophobicContact CE1-CE1 4.22Å; F54-F58 AromaticContact CE1-CE2 3.11Å; F54-F58 HydrophobicContact CE1-CE2 3.11Å; F54-F58 HydrophobicContact CE1-CG 4.01Å; F54-F58 AromaticContact CE1-CZ 3.55Å; F54-F58 HydrophobicContact CE1-CZ 3.55Å; F54-F58 HydrophobicContact CE2-CD2 4.09Å; F54-F58 AromaticContact CE2-CE2 3.3Å; F54-F58 HydrophobicContact CE2-CE2 3.3Å; F54-F58 AromaticContact CE2-CZ 3.94Å; F54-F58 HydrophobicContact CE2-CZ 3.94Å; F54-F58 AromaticContact CG-CD2 3.83Å; F54-F58 HydrophobicContact CG-CD2 3.83Å; F54-F58 AromaticContact CG-CE2 3.9Å; F54-F58 HydrophobicContact CG-CE2 3.9Å; F54-F58 AromaticContact CZ-CD2 3.73Å; F54-F58 HydrophobicContact CZ-CD2 3.73Å; F54-F58 HydrophobicContact CZ-CE1 4.29Å; F54-F58 AromaticContact CZ-CE2 2.96Å; F54-F58 HydrophobicContact CZ-CE2 2.96Å; F54-F58 AromaticContact CZ-CZ 3.27Å; F54-F58 HydrophobicContact CZ-CZ 3.27Å; F54-F58 WeakPolarHBondContact O-CB 3.3Å; F54-F58 VanDerWaalsContact O-CD2 3.29Å; F54-F58 WeakPolarHBondContact O-CD2 3.38Å; F54-F58 PolarHBondContact O-N 3.31Å; F58-G60 VanDerWaalsContact C-N 3.28Å; F58-G60 PolarHBondContact O-N 2.99Å; F58-T61 WeakPolarHBondContact CA-OG1 3.41Å; F58-T61 PolarHBondContact O-N 3.35Å; F58-T61 PolarHBondContact O-OG1 3.14Å; F58-Y62 VanDerWaalsContact O-CB 3.26Å; F58-Y62 WeakPolarHBondContact O-CB 3.43Å; F58-Y62 PolarHBondContact O-N 2.83Å; F58-G158 VanDerWaalsContact CE1-CA 3.5Å |
| 59 | G | 65.2 | Low | 63.2 | Low | 34 Ų | 34 | 71.2 Ų | 71.2 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A55 L63 | A55-G59 VanDerWaalsContact O-CA 3.3Å; A55-G59 WeakPolarHBondContact O-CA 3.33Å; A55-G59 PolarHBondContact O-N 3.44Å; G59-L63 WeakPolarHBondContact O-CB 3.05Å; G59-L63 WeakPolarHBondContact O-CG 3.32Å; G59-L63 PolarHBondContact O-N 3.43Å |
| 60 | G | 66.1 | Low | 63.5 | Low | 13 Ų | 13 | 68.4 Ų | 68.4 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.3 | -68.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I56 F58 Y62 L63 F64 | I56-G60 VanDerWaalsContact O-CA 3.28Å; I56-G60 WeakPolarHBondContact O-CA 3.28Å; I56-G60 PolarHBondContact O-N 3.38Å; F58-G60 VanDerWaalsContact C-N 3.28Å; F58-G60 PolarHBondContact O-N 2.99Å; G60-Y62 PolarHBondContact O-N 3.29Å; G60-Y62 VanDerWaalsContact O-N 3.09Å; G60-L63 WeakPolarHBondContact O-CA 3.1Å; G60-L63 WeakPolarHBondContact O-CB 3.15Å; G60-L63 PolarHBondContact O-N 3.28Å; G60-F64 WeakPolarHBondContact O-CD2 3.29Å; G60-F64 PolarHBondContact O-N 3.5Å |
| 61 | T | 61.6 | Low | 63.6 | Low | 10 Ų | 10 | 65.9 Ų | 65.9 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -47.9 | -41.9 | 179.5 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | T57 F58 F64 I65 I124 | T57-T61 WeakPolarHBondContact O-CB 3.45Å; T57-T61 VanDerWaalsContact O-CG2 3.31Å; T57-T61 WeakPolarHBondContact O-CG2 3.48Å; T57-T61 PolarHBondContact O-N 2.73Å; T57-T61 PolarHBondContact O-OG1 3.41Å; F58-T61 WeakPolarHBondContact CA-OG1 3.41Å; F58-T61 PolarHBondContact O-N 3.35Å; F58-T61 PolarHBondContact O-OG1 3.14Å; T61-F64 PolarHBondContact O-N 3.49Å; T61-I65 WeakPolarHBondContact O-CG1 3.31Å; T61-I65 PolarHBondContact O-N 3.42Å; T61-I124 HydrophobicContact CG2-CB 4.14Å; T61-I124 HydrophobicContact CG2-CG1 4.21Å; T61-I124 HydrophobicContact CG2-CG2 3.72Å |
| 62 | Y | 63 | Low | 63.7 | Low | 118 Ų | 118 | 68.3 Ų | 68.3 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 176.1 | -173.9 | -107.7 | 0 | 0 | 0 | 113.2 | F58 G60 F64 I65 L66 V154 | F58-Y62 VanDerWaalsContact O-CB 3.26Å; F58-Y62 WeakPolarHBondContact O-CB 3.43Å; F58-Y62 PolarHBondContact O-N 2.83Å; G60-Y62 PolarHBondContact O-N 3.29Å; G60-Y62 VanDerWaalsContact O-N 3.09Å; Y62-F64 VanDerWaalsContact C-N 3.29Å; Y62-F64 PolarHBondContact O-N 2.83Å; Y62-I65 PolarHBondContact O-N 2.76Å; Y62-L66 HydrophobicContact CD1-CD1 3.78Å; Y62-L66 HydrophobicContact CE1-CD1 3.27Å; Y62-L66 HydrophobicContact CE1-CG 4.15Å; Y62-L66 HydrophobicContact CE2-CD1 4.49Å; Y62-L66 PolarHBondContact O-N 3.44Å; Y62-V154 HydrophobicContact CD2-CG1 4.43Å; Y62-V154 HydrophobicContact CD2-CG2 3.73Å; Y62-V154 HydrophobicContact CE2-CG2 4.42Å |
| 63 | L | 63.7 | Low | 63.9 | Low | 107 Ų | 107 | 69.5 Ų | 69.5 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 174.6 | -79.5 | 167.4 | 0 | 0 | 0 | 111.5 | G59 G60 I65 L66 V67 | G59-L63 WeakPolarHBondContact O-CB 3.05Å; G59-L63 WeakPolarHBondContact O-CG 3.32Å; G59-L63 PolarHBondContact O-N 3.43Å; G60-L63 WeakPolarHBondContact O-CA 3.1Å; G60-L63 WeakPolarHBondContact O-CB 3.15Å; G60-L63 PolarHBondContact O-N 3.28Å; L63-I65 PolarHBondContact O-N 2.91Å; L63-L66 PolarHBondContact O-N 3.32Å; L63-V67 WeakPolarHBondContact O-CG2 3.14Å; L63-V67 PolarHBondContact O-N 2.86Å |
| 64 | F | 62.8 | Low | 63.8 | Low | 52 Ų | 52 | 67.7 Ų | 67.7 | 23% | 0.228 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65 | -36.3 | 178 | -84.4 | -88.2 | 0 | 0 | 0 | 112.8 | G60 T61 Y62 I70 I74 V120 I124 | G60-F64 WeakPolarHBondContact O-CD2 3.29Å; G60-F64 PolarHBondContact O-N 3.5Å; T61-F64 PolarHBondContact O-N 3.49Å; Y62-F64 VanDerWaalsContact C-N 3.29Å; Y62-F64 PolarHBondContact O-N 2.83Å; F64-I70 HydrophobicContact CD1-CB 4.17Å; F64-I70 HydrophobicContact CD1-CD1 4.5Å; F64-I70 HydrophobicContact CD1-CG2 3.27Å; F64-I70 HydrophobicContact CE1-CG2 3.34Å; F64-I74 HydrophobicContact CD1-CD1 3.64Å; F64-I74 HydrophobicContact CE1-CD1 4.03Å; F64-V120 HydrophobicContact CE2-CG1 4.24Å; F64-V120 HydrophobicContact CZ-CG1 4.44Å; F64-I124 HydrophobicContact CB-CG2 4.36Å; F64-I124 HydrophobicContact CD2-CD1 3.59Å; F64-I124 HydrophobicContact CD2-CG2 3.79Å; F64-I124 HydrophobicContact CE2-CD1 3.38Å; F64-I124 HydrophobicContact CE2-CG2 4.27Å; F64-I124 HydrophobicContact CG-CG2 4.04Å; F64-I124 HydrophobicContact CZ-CD1 4.37Å |
| 65 | I | 60.9 | Low | 63.9 | Low | 14 Ų | 14 | 70.7 Ų | 70.7 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 175.4 | -71 | 164.5 | 0 | 0 | 0 | 111.5 | T61 Y62 L63 F128 Q150 L153 V154 | T61-I65 WeakPolarHBondContact O-CG1 3.31Å; T61-I65 PolarHBondContact O-N 3.42Å; Y62-I65 PolarHBondContact O-N 2.76Å; L63-I65 PolarHBondContact O-N 2.91Å; I65-F128 HydrophobicContact CG1-CD2 4.3Å; I65-F128 HydrophobicContact CG1-CE2 3.95Å; I65-Q150 HydrophobicContact CG2-CB 3.92Å; I65-Q150 HydrophobicContact CG2-CG 4.04Å; I65-L153 HydrophobicContact CD1-CB 4.45Å; I65-V154 HydrophobicContact CD1-CG2 3.55Å |
| 66 | L | 63.1 | Low | 64 | Low | 87 Ų | 87 | 75.3 Ų | 75.3 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.7 | -37.2 | 178.9 | -78.6 | 174.5 | 0 | 0 | 0 | 112.6 | Y62 L63 Q68 | Y62-L66 HydrophobicContact CD1-CD1 3.78Å; Y62-L66 HydrophobicContact CE1-CD1 3.27Å; Y62-L66 HydrophobicContact CE1-CG 4.15Å; Y62-L66 HydrophobicContact CE2-CD1 4.49Å; Y62-L66 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.32Å; L66-Q68 PolarHBondContact O-N 2.95Å |
| 67 | V | 66.6 | Low | 64.2 | Low | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | trans | -87.7 | 91.5 | -177.9 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | L63 Q69 I70 S71 | L63-V67 WeakPolarHBondContact O-CG2 3.14Å; L63-V67 PolarHBondContact O-N 2.86Å; V67-Q69 HydrophobicContact CG1-CB 4.34Å; V67-Q69 PolarHBondContact O-N 2.88Å; V67-Q69 VanDerWaalsContact O-N 3.14Å; V67-I70 HydrophobicContact CB-CB 4.44Å; V67-I70 HydrophobicContact CB-CD1 3.8Å; V67-I70 HydrophobicContact CB-CG1 4.03Å; V67-I70 HydrophobicContact CG1-CB 4.33Å; V67-I70 HydrophobicContact CG1-CD1 3.7Å; V67-I70 HydrophobicContact CG1-CG1 3.6Å; V67-I70 HydrophobicContact CG2-CD1 4.3Å; V67-I70 PolarHBondContact O-N 3.23Å; V67-S71 PolarHBondContact O-N 3.44Å | ||
| 68 | Q | 62.1 | Low | 64.3 | Low | 140 Ų | 140 | 79 Ų | 79 | 65% | 0.654 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -49.9 | -39.8 | 179.1 | -79.7 | -178.6 | -34 | 0 | 0 | 113.6 | L66 I70 S71 E72 | L66-Q68 PolarHBondContact O-N 2.95Å; Q68-I70 VanDerWaalsContact C-N 3.26Å; Q68-I70 PolarHBondContact O-N 3.27Å; Q68-S71 WeakPolarHBondContact O-CB 3.34Å; Q68-S71 PolarHBondContact O-N 3.35Å; Q68-S71 VanDerWaalsContact O-N 3.12Å; Q68-E72 PolarHBondContact O-N 2.95Å |
| 69 | Q | 62.4 | Low | 64.6 | Low | 161 Ų | 161 | 81.6 Ų | 81.6 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | 179.5 | -172.6 | 175.8 | -1.6 | 0 | 0 | 112.5 | V67 W73 | V67-Q69 HydrophobicContact CG1-CB 4.34Å; V67-Q69 PolarHBondContact O-N 2.88Å; V67-Q69 VanDerWaalsContact O-N 3.14Å; Q69-W73 PolarHBondContact O-N 3.49Å |
| 70 | I | 64.5 | Low | 64.7 | Low | 58 Ų | 58 | 84.4 Ų | 84.4 | 30% | 0.297 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75.9 | -38.9 | 177.8 | -54.3 | 172.5 | 0 | 0 | 0 | 109.9 | F64 V67 Q68 E72 W73 I74 | F64-I70 HydrophobicContact CD1-CB 4.17Å; F64-I70 HydrophobicContact CD1-CD1 4.5Å; F64-I70 HydrophobicContact CD1-CG2 3.27Å; F64-I70 HydrophobicContact CE1-CG2 3.34Å; V67-I70 HydrophobicContact CB-CB 4.44Å; V67-I70 HydrophobicContact CB-CD1 3.8Å; V67-I70 HydrophobicContact CB-CG1 4.03Å; V67-I70 HydrophobicContact CG1-CB 4.33Å; V67-I70 HydrophobicContact CG1-CD1 3.7Å; V67-I70 HydrophobicContact CG1-CG1 3.6Å; V67-I70 HydrophobicContact CG2-CD1 4.3Å; V67-I70 PolarHBondContact O-N 3.23Å; Q68-I70 VanDerWaalsContact C-N 3.26Å; Q68-I70 PolarHBondContact O-N 3.27Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 2.97Å; I70-W73 PolarHBondContact O-N 2.79Å; I70-I74 HydrophobicContact CG2-CD1 3.99Å; I70-I74 HydrophobicContact CG2-CG1 4.26Å; I70-I74 WeakPolarHBondContact O-CB 3.47Å; I70-I74 VanDerWaalsContact O-CG1 3.27Å; I70-I74 WeakPolarHBondContact O-CG1 3.39Å; I70-I74 PolarHBondContact O-N 2.98Å |
| 71 | S | 61.6 | Low | 64.7 | Low | 25 Ų | 25 | 84.6 Ų | 84.6 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 175.6 | -171 | 0 | 0 | 0 | 0 | 112.5 | V67 Q68 I74 K75 | V67-S71 PolarHBondContact O-N 3.44Å; Q68-S71 WeakPolarHBondContact O-CB 3.34Å; Q68-S71 PolarHBondContact O-N 3.35Å; Q68-S71 VanDerWaalsContact O-N 3.12Å; S71-I74 PolarHBondContact O-N 3.37Å; S71-K75 WeakPolarHBondContact O-CG 3.06Å; S71-K75 PolarHBondContact O-N 3.39Å; S71-K75 VanDerWaalsContact O-N 3.15Å |
| 72 | E | 67 | Low | 64.8 | Low | 140 Ų | 140 | 89.7 Ų | 89.7 | 65% | 0.654 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | 175.7 | -71.8 | -176.6 | 176.9 | 0 | 0 | 112.4 | Q68 I70 I74 K75 H76 | Q68-E72 PolarHBondContact O-N 2.95Å; I70-E72 VanDerWaalsContact C-N 3.33Å; I70-E72 PolarHBondContact O-N 2.97Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.36Å; E72-K75 PolarHBondContact O-N 2.92Å; E72-H76 PolarHBondContact O-N 2.61Å |
| 73 | W | 67.1 | Low | 65.2 | Low | 133 Ų | 133 | 88.4 Ų | 88.4 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 177.6 | -174.9 | 87.2 | 0 | 0 | 0 | 112.4 | Q69 I70 H76 H77 | Q69-W73 PolarHBondContact O-N 3.49Å; I70-W73 PolarHBondContact O-N 2.79Å; W73-H76 PolarHBondContact O-N 2.8Å; W73-H77 AromaticContact CD1-CE1 3.87Å; W73-H77 AromaticContact CD1-ND1 3.81Å; W73-H77 AromaticContact CD2-ND1 3.79Å; W73-H77 AromaticContact CE2-CE1 3.76Å; W73-H77 AromaticContact CE2-ND1 3.44Å; W73-H77 HydrophobicContact CH2-CB 4.31Å; W73-H77 HydrophobicContact CZ2-CB 4.41Å; W73-H77 AromaticContact CZ2-ND1 3.86Å; W73-H77 HydrophobicContact CZ3-CB 4.43Å; W73-H77 AromaticContact NE1-CE1 3.37Å; W73-H77 PolarHBondContact NE1-CE1 2.79Å; W73-H77 AromaticContact NE1-ND1 3.45Å; W73-H77 PolarHBondContact NE1-ND1 3.41Å; W73-H77 PolarHBondContact O-N 3.48Å; W73-H77 VanDerWaalsContact O-N 3.09Å; W73-H77 PolarHBondContact O-ND1 3.25Å; W73-H77 VanDerWaalsContact O-ND1 3.11Å |
| 74 | I | 62.7 | Low | 65.3 | Low | 17 Ų | 17 | 84.2 Ų | 84.2 | 9% | 0.087 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.8 | -77.1 | 177.6 | 0 | 0 | 0 | 111.2 | F64 I70 S71 E72 H76 H77 E78 L81 F128 | F64-I74 HydrophobicContact CD1-CD1 3.64Å; F64-I74 HydrophobicContact CE1-CD1 4.03Å; I70-I74 HydrophobicContact CG2-CD1 3.99Å; I70-I74 HydrophobicContact CG2-CG1 4.26Å; I70-I74 WeakPolarHBondContact O-CB 3.47Å; I70-I74 VanDerWaalsContact O-CG1 3.27Å; I70-I74 WeakPolarHBondContact O-CG1 3.39Å; I70-I74 PolarHBondContact O-N 2.98Å; S71-I74 PolarHBondContact O-N 3.37Å; E72-I74 VanDerWaalsContact C-N 3.3Å; E72-I74 PolarHBondContact O-N 3.36Å; I74-H76 PolarHBondContact O-N 3.24Å; I74-H77 CarbonylContact O-C 3.6Å; I74-H77 PolarHBondContact O-N 2.71Å; I74-H77 VanDerWaalsContact O-N 3.12Å; I74-E78 PolarHBondContact O-N 3.47Å; I74-L81 HydrophobicContact CB-CD1 3.96Å; I74-L81 HydrophobicContact CD1-CD1 4.43Å; I74-L81 HydrophobicContact CG1-CD1 3.85Å; I74-L81 HydrophobicContact CG2-CD1 3.43Å; I74-L81 VanDerWaalsContact CG2-CD1 3.43Å; I74-F128 HydrophobicContact CG2-CD1 4.4Å; I74-F128 HydrophobicContact CG2-CE1 4.36Å |
| 75 | K | 64.6 | Low | 65.5 | Low | 141 Ų | 141 | 81.9 Ų | 81.9 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.1 | -32.3 | 176.9 | -73.4 | 178.6 | 179.7 | -176.7 | 0 | 112 | S71 E72 | S71-K75 WeakPolarHBondContact O-CG 3.06Å; S71-K75 PolarHBondContact O-N 3.39Å; S71-K75 VanDerWaalsContact O-N 3.15Å; E72-K75 PolarHBondContact O-N 2.92Å |
| 76 | H | 69.1 | Low | 65.8 | Low | 155 Ų | 155 | 83.7 Ų | 83.7 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -78 | -32 | 177.5 | -161.4 | 68.5 | 0 | 0 | 0 | 113.4 | E72 W73 I74 | E72-H76 PolarHBondContact O-N 2.61Å; W73-H76 PolarHBondContact O-N 2.8Å; I74-H76 PolarHBondContact O-N 3.24Å |
| 77 | H | 69.1 | Low | 66.2 | Low | 52 Ų | 52 | 83.5 Ų | 83.5 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -113.9 | 32.8 | -174.5 | -62.2 | 90.9 | 0 | 0 | 0 | 113.3 | W73 I74 T79 I80 L81 | W73-H77 AromaticContact CD1-CE1 3.87Å; W73-H77 AromaticContact CD1-ND1 3.81Å; W73-H77 AromaticContact CD2-ND1 3.79Å; W73-H77 AromaticContact CE2-CE1 3.76Å; W73-H77 AromaticContact CE2-ND1 3.44Å; W73-H77 HydrophobicContact CH2-CB 4.31Å; W73-H77 HydrophobicContact CZ2-CB 4.41Å; W73-H77 AromaticContact CZ2-ND1 3.86Å; W73-H77 HydrophobicContact CZ3-CB 4.43Å; W73-H77 AromaticContact NE1-CE1 3.37Å; W73-H77 PolarHBondContact NE1-CE1 2.79Å; W73-H77 AromaticContact NE1-ND1 3.45Å; W73-H77 PolarHBondContact NE1-ND1 3.41Å; W73-H77 PolarHBondContact O-N 3.48Å; W73-H77 VanDerWaalsContact O-N 3.09Å; W73-H77 PolarHBondContact O-ND1 3.25Å; W73-H77 VanDerWaalsContact O-ND1 3.11Å; I74-H77 CarbonylContact O-C 3.6Å; I74-H77 PolarHBondContact O-N 2.71Å; I74-H77 VanDerWaalsContact O-N 3.12Å; H77-T79 PolarHBondContact O-N 3.39Å; H77-T79 VanDerWaalsContact O-N 3.11Å; H77-I80 HydrophobicContact CB-CB 4.39Å; H77-I80 HydrophobicContact CB-CD1 4.05Å; H77-I80 HydrophobicContact CB-CG1 4.28Å; H77-I80 WeakPolarHBondContact O-CB 3.39Å; H77-I80 PolarHBondContact O-N 3.34Å; H77-L81 PolarHBondContact O-N 3.29Å |
| 78 | E | 65.1 | Low | 66.2 | Low | 94 Ų | 94 | 81.3 Ų | 81.3 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.9 | -38.2 | -176.8 | -162.4 | -166.1 | 149.9 | 0 | 0 | 112.1 | I74 I80 L81 W82 T129 | I74-E78 PolarHBondContact O-N 3.47Å; E78-I80 VanDerWaalsContact C-N 3.35Å; E78-I80 PolarHBondContact O-N 2.92Å; E78-L81 WeakPolarHBondContact O-CB 3.45Å; E78-L81 PolarHBondContact O-N 3.48Å; E78-W82 PolarHBondContact O-N 3.44Å; E78-W82 PolarHBondContact OE1-NE1 3.39Å; E78-T129 HydrophobicContact CG-CG2 4.39Å |
| 79 | T | 67.3 | Low | 66.5 | Low | 104 Ų | 104 | 78.7 Ų | 78.7 | 64% | 0.638 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60 | -40.2 | 177.7 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | H77 L81 W82 V83 | H77-T79 PolarHBondContact O-N 3.39Å; H77-T79 VanDerWaalsContact O-N 3.11Å; T79-L81 VanDerWaalsContact C-N 3.27Å; T79-L81 PolarHBondContact O-N 3.19Å; T79-W82 PolarHBondContact O-N 3.35Å; T79-V83 WeakPolarHBondContact O-CG2 3.42Å; T79-V83 PolarHBondContact O-N 3Å |
| 80 | I | 68.6 | Low | 67 | Low | 92 Ų | 92 | 74.9 Ų | 74.9 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 178.8 | -60.8 | -175.9 | 0 | 0 | 0 | 110 | H77 E78 V83 S84 | H77-I80 HydrophobicContact CB-CB 4.39Å; H77-I80 HydrophobicContact CB-CD1 4.05Å; H77-I80 HydrophobicContact CB-CG1 4.28Å; H77-I80 WeakPolarHBondContact O-CB 3.39Å; H77-I80 PolarHBondContact O-N 3.34Å; E78-I80 VanDerWaalsContact C-N 3.35Å; E78-I80 PolarHBondContact O-N 2.92Å; I80-V83 PolarHBondContact O-N 2.92Å; I80-S84 WeakPolarHBondContact O-CB 3.22Å; I80-S84 PolarHBondContact O-N 2.94Å; I80-S84 PolarHBondContact O-OG 2.86Å |
| 81 | L | 65 | Low | 67.1 | Low | 17 Ų | 17 | 73.5 Ų | 73.5 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 178 | -68.2 | 168.6 | 0 | 0 | 0 | 111.5 | I74 H77 E78 T79 V83 S84 S85 A125 | I74-L81 HydrophobicContact CB-CD1 3.96Å; I74-L81 HydrophobicContact CD1-CD1 4.43Å; I74-L81 HydrophobicContact CG1-CD1 3.85Å; I74-L81 HydrophobicContact CG2-CD1 3.43Å; I74-L81 VanDerWaalsContact CG2-CD1 3.43Å; H77-L81 PolarHBondContact O-N 3.29Å; E78-L81 WeakPolarHBondContact O-CB 3.45Å; E78-L81 PolarHBondContact O-N 3.48Å; T79-L81 VanDerWaalsContact C-N 3.27Å; T79-L81 PolarHBondContact O-N 3.19Å; L81-V83 PolarHBondContact O-N 2.86Å; L81-S84 WeakPolarHBondContact CA-OG 3.3Å; L81-S84 PolarHBondContact O-N 2.98Å; L81-S84 PolarHBondContact O-OG 3.41Å; L81-S85 WeakPolarHBondContact O-CB 3.32Å; L81-S85 PolarHBondContact O-N 3.37Å; L81-A125 HydrophobicContact CB-CB 3.69Å; L81-A125 HydrophobicContact CD1-CB 4.5Å; L81-A125 HydrophobicContact CD2-CB 4.14Å; L81-A125 HydrophobicContact CG-CB 4.32Å |
| 82 | W | 65.5 | Low | 67.4 | Low | 117 Ų | 117 | 75.2 Ų | 75.2 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 174.3 | -80.3 | 108.5 | 0 | 0 | 0 | 112.6 | E78 T79 S84 S85 A86 L126 T129 | E78-W82 PolarHBondContact O-N 3.44Å; E78-W82 PolarHBondContact OE1-NE1 3.39Å; T79-W82 PolarHBondContact O-N 3.35Å; W82-S84 PolarHBondContact O-N 2.88Å; W82-S85 PolarHBondContact O-N 3.48Å; W82-A86 WeakPolarHBondContact O-CB 3.49Å; W82-A86 PolarHBondContact O-N 2.97Å; W82-L126 HydrophobicContact CH2-CD2 4.38Å; W82-L126 HydrophobicContact CZ3-CD2 4.09Å; W82-T129 HydrophobicContact CZ2-CG2 4.28Å |
| 83 | V | 69.6 | Low | 67.3 | Low | 92 Ų | 92 | 72.9 Ų | 72.9 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.6 | -44.7 | 177 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | T79 I80 L81 S85 A86 I87 | T79-V83 WeakPolarHBondContact O-CG2 3.42Å; T79-V83 PolarHBondContact O-N 3Å; I80-V83 PolarHBondContact O-N 2.92Å; L81-V83 PolarHBondContact O-N 2.86Å; V83-S85 VanDerWaalsContact C-N 3.31Å; V83-S85 PolarHBondContact O-N 3.35Å; V83-A86 PolarHBondContact O-N 3Å; V83-I87 HydrophobicContact CG1-CD1 3.82Å; V83-I87 HydrophobicContact CG1-CG1 4.46Å; V83-I87 VanDerWaalsContact O-CG1 3.28Å; V83-I87 WeakPolarHBondContact O-CG1 3.09Å; V83-I87 PolarHBondContact O-N 3.32Å |
| 84 | S | 67.5 | Low | 67.3 | Low | 18 Ų | 18 | 70.2 Ų | 70.2 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 177.6 | 76.4 | 0 | 0 | 0 | 0 | 112 | I80 L81 W82 I87 Y88 L118 | I80-S84 WeakPolarHBondContact O-CB 3.22Å; I80-S84 PolarHBondContact O-N 2.94Å; I80-S84 PolarHBondContact O-OG 2.86Å; L81-S84 WeakPolarHBondContact CA-OG 3.3Å; L81-S84 PolarHBondContact O-N 2.98Å; L81-S84 PolarHBondContact O-OG 3.41Å; W82-S84 PolarHBondContact O-N 2.88Å; S84-I87 PolarHBondContact O-N 2.9Å; S84-Y88 WeakPolarHBondContact O-CB 3.02Å; S84-Y88 PolarHBondContact O-N 3.32Å; S84-L118 WeakPolarHBondContact O-CD2 3.18Å |
| 85 | S | 65.1 | Low | 67.3 | Low | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 177.7 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | L81 W82 V83 Y88 L89 G122 L126 | L81-S85 WeakPolarHBondContact O-CB 3.32Å; L81-S85 PolarHBondContact O-N 3.37Å; W82-S85 PolarHBondContact O-N 3.48Å; V83-S85 VanDerWaalsContact C-N 3.31Å; V83-S85 PolarHBondContact O-N 3.35Å; S85-Y88 WeakPolarHBondContact O-CB 3.27Å; S85-Y88 PolarHBondContact O-N 2.8Å; S85-L89 WeakPolarHBondContact O-CG 3.49Å; S85-L89 PolarHBondContact O-N 3.35Å; S85-G122 PolarHBondContact OG-O 2.93Å; S85-L126 WeakPolarHBondContact OG-CD1 3.38Å; S85-L126 VanDerWaalsContact OG-CG 3.24Å; S85-L126 WeakPolarHBondContact OG-CG 3.14Å |
| 86 | A | 68.2 | Low | 67.2 | Low | 53 Ų | 53 | 75.3 Ų | 75.3 | 44% | 0.438 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | W82 V83 Y88 L89 V90 | W82-A86 WeakPolarHBondContact O-CB 3.49Å; W82-A86 PolarHBondContact O-N 2.97Å; V83-A86 PolarHBondContact O-N 3Å; A86-Y88 VanDerWaalsContact C-N 3.31Å; A86-Y88 PolarHBondContact O-N 3.41Å; A86-L89 PolarHBondContact O-N 2.78Å; A86-V90 WeakPolarHBondContact O-CG2 3.36Å; A86-V90 PolarHBondContact O-N 2.89Å |
| 87 | I | 70.8 | Confident | 67 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.3 | -66.9 | 167.3 | 0 | 0 | 0 | 110.4 | V83 S84 V90 L91 L118 | V83-I87 HydrophobicContact CG1-CD1 3.82Å; V83-I87 HydrophobicContact CG1-CG1 4.46Å; V83-I87 VanDerWaalsContact O-CG1 3.28Å; V83-I87 WeakPolarHBondContact O-CG1 3.09Å; V83-I87 PolarHBondContact O-N 3.32Å; S84-I87 PolarHBondContact O-N 2.9Å; I87-V90 PolarHBondContact O-N 3.43Å; I87-L91 HydrophobicContact CG2-CD1 4.2Å; I87-L91 PolarHBondContact O-N 3.05Å; I87-L118 HydrophobicContact CB-CD2 4.04Å; I87-L118 HydrophobicContact CG2-CD1 4.31Å; I87-L118 HydrophobicContact CG2-CD2 3.81Å |
| 88 | Y | 68.2 | Low | 66.7 | Low | 13 Ų | 13 | 75.6 Ų | 75.6 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.9 | -50.1 | 176.8 | 175.2 | -108.5 | 0 | 0 | 0 | 111.9 | Q53 S84 S85 A86 V90 L91 Q92 L118 T119 A123 | Q53-Y88 PolarHBondContact NE2-OH 3.17Å; S84-Y88 WeakPolarHBondContact O-CB 3.02Å; S84-Y88 PolarHBondContact O-N 3.32Å; S85-Y88 WeakPolarHBondContact O-CB 3.27Å; S85-Y88 PolarHBondContact O-N 2.8Å; A86-Y88 VanDerWaalsContact C-N 3.31Å; A86-Y88 PolarHBondContact O-N 3.41Å; Y88-V90 VanDerWaalsContact C-N 3.33Å; Y88-V90 PolarHBondContact O-N 3.26Å; Y88-L91 PolarHBondContact O-N 3.35Å; Y88-Q92 PolarHBondContact O-N 2.8Å; Y88-Q92 PolarHBondContact O-OE1 3.01Å; Y88-Q92 PolarHBondContact OH-NE2 3.11Å; Y88-L118 HydrophobicContact CD2-CB 3.81Å; Y88-L118 HydrophobicContact CG-CB 4.36Å; Y88-T119 WeakPolarHBondContact CE2-OG1 3.41Å; Y88-T119 PolarHBondContact OH-OG1 3.33Å; Y88-A123 HydrophobicContact CE1-CB 4.16Å |
| 89 | L | 68.2 | Low | 66.3 | Low | 85 Ų | 85 | 75.3 Ų | 75.3 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 179 | -74 | 177.9 | 0 | 0 | 0 | 112.4 | S85 A86 Q92 L93 L126 | S85-L89 WeakPolarHBondContact O-CG 3.49Å; S85-L89 PolarHBondContact O-N 3.35Å; A86-L89 PolarHBondContact O-N 2.78Å; L89-Q92 PolarHBondContact O-N 3.31Å; L89-L93 WeakPolarHBondContact O-CB 3.18Å; L89-L93 WeakPolarHBondContact O-CG 3.32Å; L89-L93 PolarHBondContact O-N 3.27Å; L89-L126 HydrophobicContact CD1-CD1 4Å; L89-L126 HydrophobicContact CG-CD1 4.4Å |
| 90 | V | 71.6 | Confident | 65.9 | Low | 80 Ų | 80 | 73.5 Ų | 73.5 | 49% | 0.485 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | A86 I87 Y88 L93 I94 | A86-V90 WeakPolarHBondContact O-CG2 3.36Å; A86-V90 PolarHBondContact O-N 2.89Å; I87-V90 PolarHBondContact O-N 3.43Å; Y88-V90 VanDerWaalsContact C-N 3.33Å; Y88-V90 PolarHBondContact O-N 3.26Å; V90-L93 PolarHBondContact O-N 3.16Å; V90-I94 HydrophobicContact CG1-CD1 3.93Å; V90-I94 VanDerWaalsContact O-CG1 3.28Å; V90-I94 WeakPolarHBondContact O-CG1 3.47Å; V90-I94 PolarHBondContact O-N 3.46Å |
| 91 | L | 67.3 | Low | 65.1 | Low | 29 Ų | 29 | 73.3 Ų | 73.3 | 15% | 0.152 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.3 | -109.8 | 77 | 0 | 0 | 0 | 111.5 | I87 Y88 L93 I94 W95 Y111 L114 M115 L118 | I87-L91 HydrophobicContact CG2-CD1 4.2Å; I87-L91 PolarHBondContact O-N 3.05Å; Y88-L91 PolarHBondContact O-N 3.35Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.89Å; L91-I94 PolarHBondContact O-N 3.32Å; L91-W95 PolarHBondContact O-N 2.98Å; L91-Y111 HydrophobicContact CD2-CD2 4.5Å; L91-Y111 HydrophobicContact CD2-CE1 4.47Å; L91-Y111 HydrophobicContact CD2-CE2 3.49Å; L91-Y111 VanDerWaalsContact CD2-CE2 3.49Å; L91-Y111 VanDerWaalsContact CD2-CZ 3.49Å; L91-Y111 VanDerWaalsContact CD2-OH 3.24Å; L91-Y111 WeakPolarHBondContact CD2-OH 3.22Å; L91-Y111 HydrophobicContact CG-CE2 4.24Å; L91-Y111 VanDerWaalsContact CG-OH 3.31Å; L91-Y111 WeakPolarHBondContact CG-OH 3.41Å; L91-L114 HydrophobicContact CD2-CD2 3.9Å; L91-M115 HydrophobicContact CB-CE 4.48Å; L91-M115 HydrophobicContact CB-SD 4Å; L91-M115 HydrophobicContact CD2-CG 4.4Å; L91-M115 HydrophobicContact CD2-SD 3.52Å; L91-M115 VanDerWaalsContact CD2-SD 3.52Å; L91-M115 HydrophobicContact CG-SD 4.34Å; L91-L118 HydrophobicContact CD2-CD1 4.3Å |
| 92 | Q | 67 | Low | 64.4 | Low | 61 Ų | 61 | 75.3 Ų | 75.3 | 29% | 0.285 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 178.4 | -122.3 | 64.1 | 7.2 | 0 | 0 | 111.9 | Y88 L89 W95 M96 | Y88-Q92 PolarHBondContact O-N 2.8Å; Y88-Q92 PolarHBondContact O-OE1 3.01Å; Y88-Q92 PolarHBondContact OH-NE2 3.11Å; L89-Q92 PolarHBondContact O-N 3.31Å; Q92-W95 WeakPolarHBondContact O-CB 3.36Å; Q92-W95 PolarHBondContact O-N 3.47Å; Q92-M96 PolarHBondContact O-N 2.97Å |
| 93 | L | 65.9 | Low | 63.8 | Low | 91 Ų | 91 | 80.6 Ų | 80.6 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 175.2 | -86 | 160 | 0 | 0 | 0 | 111.4 | L89 V90 L91 W95 M96 F97 | L89-L93 WeakPolarHBondContact O-CB 3.18Å; L89-L93 WeakPolarHBondContact O-CG 3.32Å; L89-L93 PolarHBondContact O-N 3.27Å; V90-L93 PolarHBondContact O-N 3.16Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.89Å; L93-W95 PolarHBondContact O-N 3.34Å; L93-M96 PolarHBondContact O-N 3.38Å; L93-M96 VanDerWaalsContact O-N 3.16Å; L93-F97 HydrophobicContact CD2-CD2 4.23Å; L93-F97 HydrophobicContact CD2-CE2 3.62Å; L93-F97 WeakPolarHBondContact O-CD2 3.49Å; L93-F97 PolarHBondContact O-N 2.88Å |
| 94 | I | 68 | Low | 63 | Low | 78 Ų | 78 | 84.2 Ų | 84.2 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.1 | -40.6 | 177 | -68.7 | 165.4 | 0 | 0 | 0 | 110.1 | V90 L91 F97 V98 L101 | V90-I94 HydrophobicContact CG1-CD1 3.93Å; V90-I94 VanDerWaalsContact O-CG1 3.28Å; V90-I94 WeakPolarHBondContact O-CG1 3.47Å; V90-I94 PolarHBondContact O-N 3.46Å; L91-I94 PolarHBondContact O-N 3.32Å; I94-F97 PolarHBondContact O-N 3.01Å; I94-V98 WeakPolarHBondContact O-CA 3.4Å; I94-V98 VanDerWaalsContact O-CB 3.28Å; I94-V98 WeakPolarHBondContact O-CB 3.28Å; I94-V98 WeakPolarHBondContact O-CG2 3.37Å; I94-V98 PolarHBondContact O-N 2.98Å; I94-L101 HydrophobicContact CG2-CD1 4.11Å |
| 95 | W | 61.5 | Low | 62 | Low | 108 Ų | 108 | 90.1 Ų | 90.1 | 41% | 0.409 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 178.9 | -123.8 | 57.9 | 0 | 0 | 0 | 113.4 | L91 Q92 L93 F97 V98 Y111 | L91-W95 PolarHBondContact O-N 2.98Å; Q92-W95 WeakPolarHBondContact O-CB 3.36Å; Q92-W95 PolarHBondContact O-N 3.47Å; L93-W95 PolarHBondContact O-N 3.34Å; W95-F97 VanDerWaalsContact C-N 3.3Å; W95-F97 PolarHBondContact O-N 3.47Å; W95-V98 CarbonylContact O-C 3.43Å; W95-V98 PolarHBondContact O-N 3.39Å; W95-Y111 AromaticContact NE1-CE1 3.63Å |
| 96 | M | 62 | Low | 61.2 | Low | 157 Ų | 157 | 95.2 Ų | 95.2 | 77% | 0.773 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 177.2 | -166.1 | 176.2 | -163.2 | 0 | 0 | 111.5 | Q92 L93 | Q92-M96 PolarHBondContact O-N 2.97Å; L93-M96 PolarHBondContact O-N 3.38Å; L93-M96 VanDerWaalsContact O-N 3.16Å |
| 97 | F | 65 | Low | 60.4 | Low | 155 Ų | 155 | 99.5 Ų | 99.5 | 68% | 0.68 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -87.6 | -22.6 | -178.9 | -72.6 | -66.6 | 0 | 0 | 0 | 114.4 | L93 I94 W95 P99 | L93-F97 HydrophobicContact CD2-CD2 4.23Å; L93-F97 HydrophobicContact CD2-CE2 3.62Å; L93-F97 WeakPolarHBondContact O-CD2 3.49Å; L93-F97 PolarHBondContact O-N 2.88Å; I94-F97 PolarHBondContact O-N 3.01Å; W95-F97 VanDerWaalsContact C-N 3.3Å; W95-F97 PolarHBondContact O-N 3.47Å; F97-P99 WeakPolarHBondContact O-CD 3.47Å |
| 98 | V | 64.1 | Low | 59.5 | Low | 58 Ų | 58 | 100.7 Ų | 100.7 | 35% | 0.352 | 50% | 0.5 | S | S | . | . | trans | -124.2 | 68.8 | -177 | -165 | 0 | 0 | 0 | 0 | 110.7 | I94 W95 A100 L101 | I94-V98 WeakPolarHBondContact O-CA 3.4Å; I94-V98 VanDerWaalsContact O-CB 3.28Å; I94-V98 WeakPolarHBondContact O-CB 3.28Å; I94-V98 WeakPolarHBondContact O-CG2 3.37Å; I94-V98 PolarHBondContact O-N 2.98Å; W95-V98 CarbonylContact O-C 3.43Å; W95-V98 PolarHBondContact O-N 3.39Å; V98-A100 HydrophobicContact CG1-CB 4.5Å; V98-A100 PolarHBondContact O-N 2.72Å; V98-A100 VanDerWaalsContact O-N 3.1Å; V98-L101 HydrophobicContact CB-CD1 3.85Å; V98-L101 HydrophobicContact CB-CG 4.39Å; V98-L101 HydrophobicContact CG1-CB 4.07Å; V98-L101 HydrophobicContact CG1-CD1 3.53Å; V98-L101 HydrophobicContact CG1-CG 3.66Å; V98-L101 HydrophobicContact CG2-CD1 4.48Å; V98-L101 PolarHBondContact O-N 3.22Å; V98-L101 VanDerWaalsContact O-N 3.09Å | ||
| 99 | P | 56.1 | Low | 58.9 | Low | 87 Ų | 87 | 105.7 Ų | 105.7 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.6 | -20.8 | 176.4 | 25.5 | -33.9 | 0 | 0 | 0 | 112.4 | F97 L101 S102 R103 | F97-P99 WeakPolarHBondContact O-CD 3.47Å; P99-L101 VanDerWaalsContact C-N 3.28Å; P99-L101 PolarHBondContact O-N 3.29Å; P99-S102 WeakPolarHBondContact O-CB 3.27Å; P99-S102 PolarHBondContact O-N 3.47Å; P99-R103 PolarHBondContact O-N 3.36Å |
| 100 | A | 58.2 | Low | 58.2 | Low | 67 Ų | 67 | 109.4 Ų | 109.4 | 55% | 0.554 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -30.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V98 S102 R103 K104 | V98-A100 HydrophobicContact CG1-CB 4.5Å; V98-A100 PolarHBondContact O-N 2.72Å; V98-A100 VanDerWaalsContact O-N 3.1Å; A100-S102 VanDerWaalsContact C-N 3.29Å; A100-S102 PolarHBondContact O-N 3.38Å; A100-R103 PolarHBondContact O-N 2.76Å; A100-K104 PolarHBondContact O-N 3.44Å |
| 101 | L | 52 | Low | 57.5 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.2 | -88.3 | 163 | 0 | 0 | 0 | 111.3 | I94 V98 P99 | I94-L101 HydrophobicContact CG2-CD1 4.11Å; V98-L101 HydrophobicContact CB-CD1 3.85Å; V98-L101 HydrophobicContact CB-CG 4.39Å; V98-L101 HydrophobicContact CG1-CB 4.07Å; V98-L101 HydrophobicContact CG1-CD1 3.53Å; V98-L101 HydrophobicContact CG1-CG 3.66Å; V98-L101 HydrophobicContact CG2-CD1 4.48Å; V98-L101 PolarHBondContact O-N 3.22Å; V98-L101 VanDerWaalsContact O-N 3.09Å; P99-L101 VanDerWaalsContact C-N 3.28Å; P99-L101 PolarHBondContact O-N 3.29Å |
| 102 | S | 51 | Low | 57 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 177.2 | 163 | 0 | 0 | 0 | 0 | 112.6 | P99 A100 | P99-S102 WeakPolarHBondContact O-CB 3.27Å; P99-S102 PolarHBondContact O-N 3.47Å; A100-S102 VanDerWaalsContact C-N 3.29Å; A100-S102 PolarHBondContact O-N 3.38Å |
| 103 | R | 52.1 | Low | 56.7 | Low | 228 Ų | 228 | 112.2 Ų | 112.2 | 86% | 0.86 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.9 | -34.4 | -174.8 | -78.3 | -174.4 | 177.9 | -178.7 | 0.1 | 114.5 | P99 A100 Y105 | P99-R103 PolarHBondContact O-N 3.36Å; A100-R103 PolarHBondContact O-N 2.76Å; R103-Y105 PolarHBondContact O-N 2.89Å |
| 104 | K | 53.4 | Low | 56.6 | Low | 169 Ų | 169 | 112 Ų | 112 | 74% | 0.735 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -79.2 | -20.1 | -164.7 | -155.2 | 173.8 | -175.5 | -178 | 0 | 114.1 | A100 | A100-K104 PolarHBondContact O-N 3.44Å |
| 105 | Y | 46.6 | Very low | 56.2 | Low | 141 Ų | 141 | 109 Ų | 109 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -141.1 | 137.7 | 178.3 | -75.8 | -84.1 | 0 | 0 | 0 | 109.3 | R103 Y107 | R103-Y105 PolarHBondContact O-N 2.89Å; Y105-Y107 VanDerWaalsContact CB-CE2 3.42Å; Y105-Y107 AromaticContact CD2-CE2 3.94Å; Y105-Y107 HydrophobicContact CD2-CE2 3.94Å; Y105-Y107 HydrophobicContact CG-CD2 4.22Å; Y105-Y107 AromaticContact CG-CE2 3.8Å; Y105-Y107 HydrophobicContact CG-CE2 3.8Å; Y105-Y107 PolarHBondContact O-N 3.5Å |
| 106 | P | 48.6 | Very low | 56.3 | Low | 110 Ų | 110 | 107.8 Ų | 107.8 | 71% | 0.714 | 54% | 0.536 | S | S | * | . | trans | -72.3 | 73.3 | 162.7 | 34.9 | -32 | 0 | 0 | 0 | 106.6 | N108 | P106-N108 HydrophobicContact CB-CB 3.77Å; P106-N108 PolarHBondContact O-N 3.24Å | ||
| 107 | Y | 50.9 | Low | 56.4 | Low | 144 Ų | 144 | 104.6 Ų | 104.6 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | trans | -62.8 | 27.1 | 157.7 | -81.5 | -77.9 | 0 | 0 | 0 | 110.5 | Y105 I109 Y111 | Y105-Y107 VanDerWaalsContact CB-CE2 3.42Å; Y105-Y107 AromaticContact CD2-CE2 3.94Å; Y105-Y107 HydrophobicContact CD2-CE2 3.94Å; Y105-Y107 HydrophobicContact CG-CD2 4.22Å; Y105-Y107 AromaticContact CG-CE2 3.8Å; Y105-Y107 HydrophobicContact CG-CE2 3.8Å; Y105-Y107 PolarHBondContact O-N 3.5Å; Y107-I109 VanDerWaalsContact C-N 3.28Å; Y107-I109 PolarHBondContact O-N 3.49Å; Y107-I109 VanDerWaalsContact O-N 3.07Å; Y107-Y111 VanDerWaalsContact O-CB 3.26Å; Y107-Y111 WeakPolarHBondContact O-CB 3.45Å; Y107-Y111 PolarHBondContact O-N 2.84Å | ||
| 108 | N | 52.3 | Low | 56.2 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 57% | 0.572 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 3.7 | -141.8 | -148.5 | 26.6 | 0 | 0 | 0 | 113 | P106 L112 | P106-N108 HydrophobicContact CB-CB 3.77Å; P106-N108 PolarHBondContact O-N 3.24Å; N108-L112 WeakPolarHBondContact O-CD1 3.42Å |
| 109 | I | 55.1 | Low | 56 | Low | 119 Ų | 119 | 95.7 Ų | 95.7 | 61% | 0.61 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.6 | -57.5 | 177.8 | -58.2 | 179.9 | 0 | 0 | 0 | 109.9 | Y107 Y111 L112 I113 | Y107-I109 VanDerWaalsContact C-N 3.28Å; Y107-I109 PolarHBondContact O-N 3.49Å; Y107-I109 VanDerWaalsContact O-N 3.07Å; I109-Y111 PolarHBondContact O-N 2.97Å; I109-L112 CarbonylContact O-C 3.59Å; I109-L112 PolarHBondContact O-N 3.26Å; I109-I113 HydrophobicContact CG2-CD1 3.54Å; I109-I113 HydrophobicContact CG2-CG1 4.2Å; I109-I113 WeakPolarHBondContact O-CB 3.17Å; I109-I113 WeakPolarHBondContact O-CG1 3.46Å; I109-I113 PolarHBondContact O-N 2.76Å |
| 110 | M | 53.6 | Low | 56.2 | Low | 162 Ų | 162 | 93.9 Ų | 93.9 | 80% | 0.798 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | -176.3 | -165.4 | 179.4 | 78.2 | 0 | 0 | 112.3 | L114 | M110-L114 WeakPolarHBondContact O-CB 3.31Å; M110-L114 PolarHBondContact O-N 2.91Å |
| 111 | Y | 57.5 | Low | 56.3 | Low | 59 Ų | 59 | 92.1 Ų | 92.1 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -73.5 | -37.5 | 175.5 | -170.6 | -95 | 0 | 0 | 0 | 111.5 | L91 W95 Y107 I109 I113 L114 M115 | L91-Y111 HydrophobicContact CD2-CD2 4.5Å; L91-Y111 HydrophobicContact CD2-CE1 4.47Å; L91-Y111 HydrophobicContact CD2-CE2 3.49Å; L91-Y111 VanDerWaalsContact CD2-CE2 3.49Å; L91-Y111 VanDerWaalsContact CD2-CZ 3.49Å; L91-Y111 VanDerWaalsContact CD2-OH 3.24Å; L91-Y111 WeakPolarHBondContact CD2-OH 3.22Å; L91-Y111 HydrophobicContact CG-CE2 4.24Å; L91-Y111 VanDerWaalsContact CG-OH 3.31Å; L91-Y111 WeakPolarHBondContact CG-OH 3.41Å; W95-Y111 AromaticContact NE1-CE1 3.63Å; Y107-Y111 VanDerWaalsContact O-CB 3.26Å; Y107-Y111 WeakPolarHBondContact O-CB 3.45Å; Y107-Y111 PolarHBondContact O-N 2.84Å; I109-Y111 PolarHBondContact O-N 2.97Å; Y111-I113 VanDerWaalsContact C-N 3.33Å; Y111-I113 PolarHBondContact O-N 3.07Å; Y111-L114 PolarHBondContact O-N 3.14Å; Y111-M115 HydrophobicContact CD1-CG 3.73Å; Y111-M115 HydrophobicContact CE1-CE 4Å; Y111-M115 HydrophobicContact CE1-CG 3.52Å; Y111-M115 HydrophobicContact CE1-SD 4.06Å; Y111-M115 HydrophobicContact CG-CG 4.46Å; Y111-M115 VanDerWaalsContact O-CB 3.29Å; Y111-M115 WeakPolarHBondContact O-CB 3.4Å; Y111-M115 WeakPolarHBondContact O-CG 3.43Å; Y111-M115 PolarHBondContact O-N 2.99Å |
| 112 | L | 57 | Low | 56.5 | Low | 79 Ų | 79 | 88 Ų | 88 | 41% | 0.414 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 173 | -98.1 | 166.5 | 0 | 0 | 0 | 111.7 | N108 I109 M115 I116 | N108-L112 WeakPolarHBondContact O-CD1 3.42Å; I109-L112 CarbonylContact O-C 3.59Å; I109-L112 PolarHBondContact O-N 3.26Å; L112-M115 PolarHBondContact O-N 3.33Å; L112-I116 WeakPolarHBondContact O-CB 3.34Å; L112-I116 WeakPolarHBondContact O-CD1 3.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.24Å; L112-I116 PolarHBondContact O-N 2.92Å |
| 113 | I | 60.9 | Low | 56.9 | Low | 91 Ų | 91 | 85.3 Ų | 85.3 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.1 | -47.3 | 173.5 | -69.3 | 167.5 | 0 | 0 | 0 | 110 | I109 Y111 M115 I116 V117 | I109-I113 HydrophobicContact CG2-CD1 3.54Å; I109-I113 HydrophobicContact CG2-CG1 4.2Å; I109-I113 WeakPolarHBondContact O-CB 3.17Å; I109-I113 WeakPolarHBondContact O-CG1 3.46Å; I109-I113 PolarHBondContact O-N 2.76Å; Y111-I113 VanDerWaalsContact C-N 3.33Å; Y111-I113 PolarHBondContact O-N 3.07Å; I113-M115 VanDerWaalsContact C-N 3.25Å; I113-M115 PolarHBondContact O-N 2.76Å; I113-I116 PolarHBondContact O-N 3.45Å; I113-I116 VanDerWaalsContact O-N 3.11Å; I113-V117 HydrophobicContact CG2-CG2 4.26Å; I113-V117 VanDerWaalsContact O-CG2 3.31Å; I113-V117 WeakPolarHBondContact O-CG2 3.31Å; I113-V117 PolarHBondContact O-N 3.38Å |
| 114 | L | 63.4 | Low | 57.3 | Low | 86 Ų | 86 | 74.8 Ų | 74.8 | 45% | 0.45 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 177.3 | -168.8 | 110.3 | 0 | 0 | 0 | 110.4 | L91 M110 Y111 V117 L118 | L91-L114 HydrophobicContact CD2-CD2 3.9Å; M110-L114 WeakPolarHBondContact O-CB 3.31Å; M110-L114 PolarHBondContact O-N 2.91Å; Y111-L114 PolarHBondContact O-N 3.14Å; L114-V117 PolarHBondContact O-N 3.22Å; L114-L118 HydrophobicContact CD2-CD1 3.46Å; L114-L118 VanDerWaalsContact CD2-CD1 3.46Å; L114-L118 HydrophobicContact CG-CD1 3.69Å; L114-L118 VanDerWaalsContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 WeakPolarHBondContact O-CD1 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 3.38Å |
| 115 | M | 60 | Low | 57.6 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 175.2 | -73.9 | -70.5 | -103.5 | 0 | 0 | 112.1 | L91 Y111 L112 I113 L118 T119 | L91-M115 HydrophobicContact CB-CE 4.48Å; L91-M115 HydrophobicContact CB-SD 4Å; L91-M115 HydrophobicContact CD2-CG 4.4Å; L91-M115 HydrophobicContact CD2-SD 3.52Å; L91-M115 VanDerWaalsContact CD2-SD 3.52Å; L91-M115 HydrophobicContact CG-SD 4.34Å; Y111-M115 HydrophobicContact CD1-CG 3.73Å; Y111-M115 HydrophobicContact CE1-CE 4Å; Y111-M115 HydrophobicContact CE1-CG 3.52Å; Y111-M115 HydrophobicContact CE1-SD 4.06Å; Y111-M115 HydrophobicContact CG-CG 4.46Å; Y111-M115 VanDerWaalsContact O-CB 3.29Å; Y111-M115 WeakPolarHBondContact O-CB 3.4Å; Y111-M115 WeakPolarHBondContact O-CG 3.43Å; Y111-M115 PolarHBondContact O-N 2.99Å; L112-M115 PolarHBondContact O-N 3.33Å; I113-M115 VanDerWaalsContact C-N 3.25Å; I113-M115 PolarHBondContact O-N 2.76Å; M115-L118 PolarHBondContact O-N 3.47Å; M115-T119 WeakPolarHBondContact O-CA 3.28Å; M115-T119 WeakPolarHBondContact O-CB 3.17Å; M115-T119 PolarHBondContact O-N 3.1Å; M115-T119 PolarHBondContact O-OG1 3.28Å |
| 116 | I | 63.2 | Low | 58.1 | Low | 83 Ų | 83 | 62.2 Ų | 62.2 | 43% | 0.426 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 174.1 | -71.6 | 161.3 | 0 | 0 | 0 | 109.7 | L112 I113 L118 T119 V120 | L112-I116 WeakPolarHBondContact O-CB 3.34Å; L112-I116 WeakPolarHBondContact O-CD1 3.5Å; L112-I116 WeakPolarHBondContact O-CG1 3.24Å; L112-I116 PolarHBondContact O-N 2.92Å; I113-I116 PolarHBondContact O-N 3.45Å; I113-I116 VanDerWaalsContact O-N 3.11Å; I116-L118 PolarHBondContact O-N 3.09Å; I116-T119 WeakPolarHBondContact O-CB 3.32Å; I116-T119 PolarHBondContact O-N 2.82Å; I116-V120 HydrophobicContact CG2-CG2 4.32Å; I116-V120 WeakPolarHBondContact O-CB 3.22Å; I116-V120 WeakPolarHBondContact O-CG2 3.07Å; I116-V120 PolarHBondContact O-N 3.19Å |
| 117 | V | 63.6 | Low | 58.5 | Low | 91 Ų | 91 | 57.7 Ų | 57.7 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 179 | 174 | 0 | 0 | 0 | 0 | 110.8 | I113 L114 V120 A121 | I113-V117 HydrophobicContact CG2-CG2 4.26Å; I113-V117 VanDerWaalsContact O-CG2 3.31Å; I113-V117 WeakPolarHBondContact O-CG2 3.31Å; I113-V117 PolarHBondContact O-N 3.38Å; L114-V117 PolarHBondContact O-N 3.22Å; V117-V120 PolarHBondContact O-N 3.34Å; V117-A121 WeakPolarHBondContact O-CB 3.18Å; V117-A121 PolarHBondContact O-N 3.16Å |
| 118 | L | 60.5 | Low | 58.9 | Low | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.2 | -33 | 175.8 | -84.6 | 152.1 | 0 | 0 | 0 | 112.7 | S84 I87 Y88 L91 L114 M115 I116 G122 | S84-L118 WeakPolarHBondContact O-CD2 3.18Å; I87-L118 HydrophobicContact CB-CD2 4.04Å; I87-L118 HydrophobicContact CG2-CD1 4.31Å; I87-L118 HydrophobicContact CG2-CD2 3.81Å; Y88-L118 HydrophobicContact CD2-CB 3.81Å; Y88-L118 HydrophobicContact CG-CB 4.36Å; L91-L118 HydrophobicContact CD2-CD1 4.3Å; L114-L118 HydrophobicContact CD2-CD1 3.46Å; L114-L118 VanDerWaalsContact CD2-CD1 3.46Å; L114-L118 HydrophobicContact CG-CD1 3.69Å; L114-L118 VanDerWaalsContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 WeakPolarHBondContact O-CD1 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 3.38Å; M115-L118 PolarHBondContact O-N 3.47Å; I116-L118 PolarHBondContact O-N 3.09Å; L118-G122 VanDerWaalsContact O-CA 3.31Å; L118-G122 WeakPolarHBondContact O-CA 3.41Å; L118-G122 PolarHBondContact O-N 3.4Å |
| 119 | T | 59.4 | Low | 59.3 | Low | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -66.6 | -48.9 | 172.4 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | T57 Y88 M115 I116 A121 A123 | T57-T119 HydrophobicContact CG2-CG2 4.14Å; Y88-T119 WeakPolarHBondContact CE2-OG1 3.41Å; Y88-T119 PolarHBondContact OH-OG1 3.33Å; M115-T119 WeakPolarHBondContact O-CA 3.28Å; M115-T119 WeakPolarHBondContact O-CB 3.17Å; M115-T119 PolarHBondContact O-N 3.1Å; M115-T119 PolarHBondContact O-OG1 3.28Å; I116-T119 WeakPolarHBondContact O-CB 3.32Å; I116-T119 PolarHBondContact O-N 2.82Å; T119-A121 VanDerWaalsContact C-N 3.33Å; T119-A121 PolarHBondContact O-N 3.25Å; T119-A123 HydrophobicContact CG2-CB 3.84Å; T119-A123 VanDerWaalsContact O-CA 3.27Å; T119-A123 WeakPolarHBondContact O-CA 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.39Å; T119-A123 PolarHBondContact O-N 3.16Å |
| 120 | V | 60.9 | Low | 59.6 | Low | 50 Ų | 50 | 46 Ų | 46 | 30% | 0.303 | 25% | 0.246 | S | C | . | . | I | π-helix | trans | -63.9 | -41 | 179.8 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | I56 F64 I116 V117 I124 | I56-V120 HydrophobicContact CG2-CG2 4.05Å; F64-V120 HydrophobicContact CE2-CG1 4.24Å; F64-V120 HydrophobicContact CZ-CG1 4.44Å; I116-V120 HydrophobicContact CG2-CG2 4.32Å; I116-V120 WeakPolarHBondContact O-CB 3.22Å; I116-V120 WeakPolarHBondContact O-CG2 3.07Å; I116-V120 PolarHBondContact O-N 3.19Å; V117-V120 PolarHBondContact O-N 3.34Å; V120-I124 HydrophobicContact CB-CD1 4.45Å; V120-I124 HydrophobicContact CG1-CD1 3.88Å; V120-I124 WeakPolarHBondContact O-CB 3.35Å; V120-I124 WeakPolarHBondContact O-CD1 3.49Å; V120-I124 WeakPolarHBondContact O-CG1 3.42Å |
| 121 | A | 60 | Low | 59.9 | Low | 30 Ų | 30 | 39 Ų | 39 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -73.8 | -53.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V117 T119 A125 | V117-A121 WeakPolarHBondContact O-CB 3.18Å; V117-A121 PolarHBondContact O-N 3.16Å; T119-A121 VanDerWaalsContact C-N 3.33Å; T119-A121 PolarHBondContact O-N 3.25Å; A121-A125 WeakPolarHBondContact O-CB 3.29Å; A121-A125 PolarHBondContact O-N 3Å; A121-A125 VanDerWaalsContact O-N 3.14Å |
| 122 | G | 57.5 | Low | 60 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -82.1 | -46.1 | -171 | 0 | 0 | 0 | 0 | 0 | 114.6 | S85 L118 I124 A125 L126 | S85-G122 PolarHBondContact OG-O 2.93Å; L118-G122 VanDerWaalsContact O-CA 3.31Å; L118-G122 WeakPolarHBondContact O-CA 3.41Å; L118-G122 PolarHBondContact O-N 3.4Å; G122-I124 PolarHBondContact O-N 3.35Å; G122-A125 PolarHBondContact O-N 2.94Å; G122-L126 PolarHBondContact O-N 3.48Å |
| 123 | A | 57.9 | Low | 60.1 | Low | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -73 | -16.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T57 Y88 T119 P127 | T57-A123 HydrophobicContact CG2-CB 3.88Å; Y88-A123 HydrophobicContact CE1-CB 4.16Å; T119-A123 HydrophobicContact CG2-CB 3.84Å; T119-A123 VanDerWaalsContact O-CA 3.27Å; T119-A123 WeakPolarHBondContact O-CA 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.39Å; T119-A123 PolarHBondContact O-N 3.16Å; A123-P127 WeakPolarHBondContact O-CD 3.26Å; A123-P127 WeakPolarHBondContact O-CG 3.35Å |
| 124 | I | 61 | Low | 60 | Low | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -87.8 | -37.7 | 169.7 | -59.5 | -176.7 | 0 | 0 | 0 | 110.6 | T61 F64 V120 G122 P127 F128 | T61-I124 HydrophobicContact CG2-CB 4.14Å; T61-I124 HydrophobicContact CG2-CG1 4.21Å; T61-I124 HydrophobicContact CG2-CG2 3.72Å; F64-I124 HydrophobicContact CB-CG2 4.36Å; F64-I124 HydrophobicContact CD2-CD1 3.59Å; F64-I124 HydrophobicContact CD2-CG2 3.79Å; F64-I124 HydrophobicContact CE2-CD1 3.38Å; F64-I124 HydrophobicContact CE2-CG2 4.27Å; F64-I124 HydrophobicContact CG-CG2 4.04Å; F64-I124 HydrophobicContact CZ-CD1 4.37Å; V120-I124 HydrophobicContact CB-CD1 4.45Å; V120-I124 HydrophobicContact CG1-CD1 3.88Å; V120-I124 WeakPolarHBondContact O-CB 3.35Å; V120-I124 WeakPolarHBondContact O-CD1 3.49Å; V120-I124 WeakPolarHBondContact O-CG1 3.42Å; G122-I124 PolarHBondContact O-N 3.35Å; I124-P127 WeakPolarHBondContact O-CD 3.33Å; I124-F128 WeakPolarHBondContact O-CB 3.3Å; I124-F128 PolarHBondContact O-N 3.42Å |
| 125 | A | 59 | Low | 59.6 | Low | 8 Ų | 8 | 35.8 Ų | 35.8 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L81 A121 G122 F128 T129 | L81-A125 HydrophobicContact CB-CB 3.69Å; L81-A125 HydrophobicContact CD1-CB 4.5Å; L81-A125 HydrophobicContact CD2-CB 4.14Å; L81-A125 HydrophobicContact CG-CB 4.32Å; A121-A125 WeakPolarHBondContact O-CB 3.29Å; A121-A125 PolarHBondContact O-N 3Å; A121-A125 VanDerWaalsContact O-N 3.14Å; G122-A125 PolarHBondContact O-N 2.94Å; A125-F128 PolarHBondContact O-N 3.49Å; A125-T129 WeakPolarHBondContact O-CG2 3.47Å; A125-T129 PolarHBondContact O-N 2.97Å; A125-T129 PolarHBondContact O-OG1 2.95Å |
| 126 | L | 58.8 | Low | 59.5 | Low | 39 Ų | 39 | 40.9 Ų | 40.9 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -51.6 | -174.2 | -99 | 170.6 | 0 | 0 | 0 | 113.9 | W82 S85 L89 G122 F128 T129 L130 | W82-L126 HydrophobicContact CH2-CD2 4.38Å; W82-L126 HydrophobicContact CZ3-CD2 4.09Å; S85-L126 WeakPolarHBondContact OG-CD1 3.38Å; S85-L126 VanDerWaalsContact OG-CG 3.24Å; S85-L126 WeakPolarHBondContact OG-CG 3.14Å; L89-L126 HydrophobicContact CD1-CD1 4Å; L89-L126 HydrophobicContact CG-CD1 4.4Å; G122-L126 PolarHBondContact O-N 3.48Å; L126-F128 VanDerWaalsContact C-N 3.27Å; L126-F128 PolarHBondContact O-N 2.72Å; L126-T129 PolarHBondContact O-N 3.38Å; L126-T129 PolarHBondContact O-OG1 3.31Å; L126-T129 VanDerWaalsContact O-OG1 3.12Å; L126-L130 HydrophobicContact CD2-CD1 4.15Å; L126-L130 VanDerWaalsContact O-CB 3.27Å; L126-L130 WeakPolarHBondContact O-CB 3.28Å; L126-L130 PolarHBondContact O-N 3.49Å |
| 127 | P | 56.1 | Low | 59.1 | Low | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 177.2 | -20.7 | 30.5 | 0 | 0 | 0 | 112 | A123 I124 F131 Y161 | A123-P127 WeakPolarHBondContact O-CD 3.26Å; A123-P127 WeakPolarHBondContact O-CG 3.35Å; I124-P127 WeakPolarHBondContact O-CD 3.33Å; P127-F131 WeakPolarHBondContact O-CB 3.42Å; P127-F131 PolarHBondContact O-N 3.24Å; P127-Y161 HydrophobicContact CG-CD2 4.33Å |
| 128 | F | 58.8 | Low | 58.5 | Low | 34 Ų | 34 | 41.9 Ų | 41.9 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | -179.9 | -166.2 | -97.8 | 0 | 0 | 0 | 111.9 | I65 I74 I124 A125 L126 N132 | I65-F128 HydrophobicContact CG1-CD2 4.3Å; I65-F128 HydrophobicContact CG1-CE2 3.95Å; I74-F128 HydrophobicContact CG2-CD1 4.4Å; I74-F128 HydrophobicContact CG2-CE1 4.36Å; I124-F128 WeakPolarHBondContact O-CB 3.3Å; I124-F128 PolarHBondContact O-N 3.42Å; A125-F128 PolarHBondContact O-N 3.49Å; L126-F128 VanDerWaalsContact C-N 3.27Å; L126-F128 PolarHBondContact O-N 2.72Å; F128-N132 WeakPolarHBondContact O-CB 3.46Å; F128-N132 PolarHBondContact O-N 3.23Å |
| 129 | T | 60.5 | Low | 58.2 | Low | 15 Ų | 15 | 45.2 Ų | 45.2 | 9% | 0.092 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.6 | -44.6 | 178.2 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | E78 W82 A125 L126 F131 N132 L133 | E78-T129 HydrophobicContact CG-CG2 4.39Å; W82-T129 HydrophobicContact CZ2-CG2 4.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.47Å; A125-T129 PolarHBondContact O-N 2.97Å; A125-T129 PolarHBondContact O-OG1 2.95Å; L126-T129 PolarHBondContact O-N 3.38Å; L126-T129 PolarHBondContact O-OG1 3.31Å; L126-T129 VanDerWaalsContact O-OG1 3.12Å; T129-F131 VanDerWaalsContact C-N 3.27Å; T129-F131 PolarHBondContact O-N 3Å; T129-N132 PolarHBondContact O-N 2.96Å; T129-L133 WeakPolarHBondContact O-CB 3.47Å; T129-L133 PolarHBondContact O-N 3.43Å |
| 130 | L | 61.4 | Low | 58 | Low | 77 Ų | 77 | 50.8 Ų | 50.8 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 173.5 | -90.1 | 155.2 | 0 | 0 | 0 | 111.3 | L126 L133 L134 | L126-L130 HydrophobicContact CD2-CD1 4.15Å; L126-L130 VanDerWaalsContact O-CB 3.27Å; L126-L130 WeakPolarHBondContact O-CB 3.28Å; L126-L130 PolarHBondContact O-N 3.49Å; L130-L133 PolarHBondContact O-N 3.44Å; L130-L134 WeakPolarHBondContact O-CB 3.5Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.31Å; L130-L134 PolarHBondContact O-N 3.36Å |
| 131 | F | 60.1 | Low | 57.6 | Low | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 178.8 | -170.6 | -92.1 | 0 | 0 | 0 | 112.5 | P127 T129 L133 L134 C135 Y148 L153 A156 | P127-F131 WeakPolarHBondContact O-CB 3.42Å; P127-F131 PolarHBondContact O-N 3.24Å; T129-F131 VanDerWaalsContact C-N 3.27Å; T129-F131 PolarHBondContact O-N 3Å; F131-L133 VanDerWaalsContact C-N 3.35Å; F131-L134 PolarHBondContact O-N 3.39Å; F131-C135 WeakPolarHBondContact CE1-SG 3.45Å; F131-C135 WeakPolarHBondContact CZ-SG 3.4Å; F131-C135 WeakPolarHBondContact O-CB 3.45Å; F131-C135 PolarHBondContact O-N 3.49Å; F131-C135 PolarHBondContact O-SG 3.22Å; F131-C135 VanDerWaalsContact O-SG 3.32Å; F131-Y148 HydrophobicContact CZ-CE1 4.4Å; F131-L153 HydrophobicContact CD1-CB 4.34Å; F131-L153 HydrophobicContact CD1-CD2 3.46Å; F131-L153 VanDerWaalsContact CD1-CD2 3.46Å; F131-L153 HydrophobicContact CD1-CG 4.01Å; F131-L153 HydrophobicContact CE1-CB 3.9Å; F131-L153 HydrophobicContact CE1-CD2 3.2Å; F131-L153 HydrophobicContact CE1-CG 3.32Å; F131-L153 HydrophobicContact CZ-CB 4.38Å; F131-L153 HydrophobicContact CZ-CD2 4.33Å; F131-L153 HydrophobicContact CZ-CG 4.02Å; F131-A156 HydrophobicContact CD2-CB 3.78Å; F131-A156 HydrophobicContact CE2-CB 3.21Å; F131-A156 HydrophobicContact CZ-CB 4.09Å |
| 132 | N | 59.8 | Low | 57.2 | Low | 61 Ų | 61 | 57.4 Ų | 57.4 | 33% | 0.326 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 171.9 | -92.1 | -10.3 | 0 | 0 | 0 | 111.2 | F128 T129 L134 C135 E136 | F128-N132 WeakPolarHBondContact O-CB 3.46Å; F128-N132 PolarHBondContact O-N 3.23Å; T129-N132 PolarHBondContact O-N 2.96Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 2.95Å; N132-C135 CarbonylContact O-C 3.58Å; N132-C135 WeakPolarHBondContact O-CB 3.44Å; N132-C135 PolarHBondContact O-N 2.98Å; N132-C135 VanDerWaalsContact O-N 3.16Å; N132-E136 PolarHBondContact O-N 3.14Å |
| 133 | L | 59.4 | Low | 56.9 | Low | 103 Ų | 103 | 60.7 Ų | 60.7 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 177.2 | -167.4 | 108.2 | 0 | 0 | 0 | 111.1 | T129 L130 F131 C135 E136 V137 | T129-L133 WeakPolarHBondContact O-CB 3.47Å; T129-L133 PolarHBondContact O-N 3.43Å; L130-L133 PolarHBondContact O-N 3.44Å; F131-L133 VanDerWaalsContact C-N 3.35Å; L133-C135 VanDerWaalsContact C-N 3.34Å; L133-C135 PolarHBondContact O-N 3.38Å; L133-E136 PolarHBondContact O-N 2.98Å; L133-V137 HydrophobicContact CG-CG2 4.47Å; L133-V137 WeakPolarHBondContact O-CB 3.05Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 3.42Å |
| 134 | L | 59 | Low | 56.3 | Low | 69 Ų | 69 | 63.1 Ų | 63.1 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 175.2 | -78.1 | 166.7 | 0 | 0 | 0 | 112.5 | L130 F131 N132 K138 L160 | L130-L134 WeakPolarHBondContact O-CB 3.5Å; L130-L134 VanDerWaalsContact O-CG 3.27Å; L130-L134 WeakPolarHBondContact O-CG 3.31Å; L130-L134 PolarHBondContact O-N 3.36Å; F131-L134 PolarHBondContact O-N 3.39Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 2.95Å; L134-K138 VanDerWaalsContact O-CB 3.24Å; L134-K138 WeakPolarHBondContact O-CB 3.43Å; L134-K138 WeakPolarHBondContact O-CG 3.47Å; L134-K138 PolarHBondContact O-N 2.98Å; L134-L160 HydrophobicContact CD1-CD1 3.28Å; L134-L160 HydrophobicContact CD1-CD2 3.88Å; L134-L160 HydrophobicContact CD1-CG 4.16Å |
| 135 | C | 55.5 | Low | 55.4 | Low | 16 Ų | 16 | 71.3 Ų | 71.3 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 173.2 | -74 | 0 | 0 | 0 | 0 | 111.5 | F131 N132 L133 K138 M139 | F131-C135 WeakPolarHBondContact CE1-SG 3.45Å; F131-C135 WeakPolarHBondContact CZ-SG 3.4Å; F131-C135 WeakPolarHBondContact O-CB 3.45Å; F131-C135 PolarHBondContact O-N 3.49Å; F131-C135 PolarHBondContact O-SG 3.22Å; F131-C135 VanDerWaalsContact O-SG 3.32Å; N132-C135 CarbonylContact O-C 3.58Å; N132-C135 WeakPolarHBondContact O-CB 3.44Å; N132-C135 PolarHBondContact O-N 2.98Å; N132-C135 VanDerWaalsContact O-N 3.16Å; L133-C135 VanDerWaalsContact C-N 3.34Å; L133-C135 PolarHBondContact O-N 3.38Å; C135-K138 CarbonylContact O-C 3.56Å; C135-K138 PolarHBondContact O-N 2.88Å; C135-M139 HydrophobicContact CB-CE 4.21Å; C135-M139 WeakPolarHBondContact O-CB 3.35Å; C135-M139 VanDerWaalsContact O-CG 3.28Å; C135-M139 WeakPolarHBondContact O-CG 3.49Å; C135-M139 PolarHBondContact O-N 2.98Å |
| 136 | E | 58.1 | Low | 54.6 | Low | 122 Ų | 122 | 78 Ų | 78 | 57% | 0.57 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.8 | -49.6 | 175.3 | -76.5 | -174.6 | 176.3 | 0 | 0 | 111.6 | N132 L133 K138 M139 V140 | N132-E136 PolarHBondContact O-N 3.14Å; L133-E136 PolarHBondContact O-N 2.98Å; E136-K138 VanDerWaalsContact C-N 3.27Å; E136-K138 PolarHBondContact O-N 3.39Å; E136-M139 HydrophobicContact CG-CE 4.31Å; E136-M139 PolarHBondContact O-N 3.28Å; E136-V140 WeakPolarHBondContact O-CB 3.47Å; E136-V140 VanDerWaalsContact O-CG2 3.26Å; E136-V140 WeakPolarHBondContact O-CG2 3.42Å; E136-V140 PolarHBondContact O-N 3.13Å |
| 137 | V | 54.4 | Low | 53.8 | Low | 64 Ų | 64 | 88.1 Ų | 88.1 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 109.8 | L133 V140 F141 | L133-V137 HydrophobicContact CG-CG2 4.47Å; L133-V137 WeakPolarHBondContact O-CB 3.05Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 3.42Å; V137-V140 PolarHBondContact O-N 3.43Å; V137-F141 HydrophobicContact CG1-CD2 3.72Å; V137-F141 HydrophobicContact CG1-CE2 3.92Å; V137-F141 VanDerWaalsContact O-CD2 3.22Å; V137-F141 WeakPolarHBondContact O-CD2 3.42Å; V137-F141 PolarHBondContact O-N 3.5Å |
| 138 | K | 51.1 | Low | 53.3 | Low | 131 Ų | 131 | 92.1 Ų | 92.1 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.2 | -32.9 | 175.4 | -84.4 | -170.5 | 167 | -174.1 | 0 | 113.8 | L134 C135 E136 G142 | L134-K138 VanDerWaalsContact O-CB 3.24Å; L134-K138 WeakPolarHBondContact O-CB 3.43Å; L134-K138 WeakPolarHBondContact O-CG 3.47Å; L134-K138 PolarHBondContact O-N 2.98Å; C135-K138 CarbonylContact O-C 3.56Å; C135-K138 PolarHBondContact O-N 2.88Å; E136-K138 VanDerWaalsContact C-N 3.27Å; E136-K138 PolarHBondContact O-N 3.39Å; K138-G142 WeakPolarHBondContact O-CA 3.45Å; K138-G142 PolarHBondContact O-N 3.44Å |
| 139 | M | 53.5 | Low | 52.8 | Low | 90 Ų | 90 | 98.2 Ų | 98.2 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 174.6 | -80.2 | -173.6 | -82.4 | 0 | 0 | 110.9 | C135 E136 G144 | C135-M139 HydrophobicContact CB-CE 4.21Å; C135-M139 WeakPolarHBondContact O-CB 3.35Å; C135-M139 VanDerWaalsContact O-CG 3.28Å; C135-M139 WeakPolarHBondContact O-CG 3.49Å; C135-M139 PolarHBondContact O-N 2.98Å; E136-M139 HydrophobicContact CG-CE 4.31Å; E136-M139 PolarHBondContact O-N 3.28Å; M139-G144 PolarHBondContact O-N 3.02Å |
| 140 | V | 55.5 | Low | 52.2 | Low | 121 Ų | 121 | 102.4 Ų | 102.4 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E136 V137 | E136-V140 WeakPolarHBondContact O-CB 3.47Å; E136-V140 VanDerWaalsContact O-CG2 3.26Å; E136-V140 WeakPolarHBondContact O-CG2 3.42Å; E136-V140 PolarHBondContact O-N 3.13Å; V137-V140 PolarHBondContact O-N 3.43Å |
| 141 | F | 52.8 | Low | 51.6 | Low | 177 Ų | 177 | 101.9 Ų | 101.9 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -84 | -25.5 | 178.6 | -78.7 | -70.4 | 0 | 0 | 0 | 114.3 | V137 | V137-F141 HydrophobicContact CG1-CD2 3.72Å; V137-F141 HydrophobicContact CG1-CE2 3.92Å; V137-F141 VanDerWaalsContact O-CD2 3.22Å; V137-F141 WeakPolarHBondContact O-CD2 3.42Å; V137-F141 PolarHBondContact O-N 3.5Å |
| 142 | G | 51.9 | Low | 51.2 | Low | 43 Ų | 43 | 105.4 Ų | 105.4 | 44% | 0.443 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -104.5 | 9.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K138 | K138-G142 WeakPolarHBondContact O-CA 3.45Å; K138-G142 PolarHBondContact O-N 3.44Å |
| 143 | G | 49.8 | Very low | 50.7 | Low | 69 Ų | 69 | 103.9 Ų | 103.9 | 71% | 0.711 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 23.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | E145 | G143-E145 VanDerWaalsContact C-N 3.31Å; G143-E145 PolarHBondContact O-N 3.08Å; G143-E145 VanDerWaalsContact O-N 3.1Å |
| 144 | G | 45.7 | Very low | 50.4 | Low | 53 Ų | 53 | 100 Ų | 100 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | S | Bend | trans | 76.2 | -9.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | M139 | M139-G144 PolarHBondContact O-N 3.02Š|
| 145 | E | 42.7 | Very low | 50 | Low | 179 Ų | 179 | 102.5 Ų | 102.5 | 84% | 0.836 | 53% | 0.534 | S | S | * | . | trans | -109 | 83.5 | -179.9 | -70 | -161.1 | 158.4 | 0 | 0 | 112.9 | G143 | G143-E145 VanDerWaalsContact C-N 3.31Å; G143-E145 PolarHBondContact O-N 3.08Å; G143-E145 VanDerWaalsContact O-N 3.1Å | ||
| 146 | F | 42.6 | Very low | 49.9 | Very low | 147 Ų | 147 | 102.9 Ų | 102.9 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | trans | -133.9 | 110.2 | 164.5 | -87.8 | -82.8 | 0 | 0 | 0 | 112.5 | Y148 | F146-Y148 HydrophobicContact CB-CE2 4.48Å; F146-Y148 PolarHBondContact O-N 3.45Å | ||
| 147 | R | 41.5 | Very low | 49.4 | Very low | 252 Ų | 252 | 97.5 Ų | 97.5 | 95% | 0.951 | 52% | 0.515 | S | S | * | . | trans | -83.8 | 92.6 | 168.9 | -77.7 | -179.1 | 163.7 | -173.1 | -3.8 | 109.4 | ||||
| 148 | Y | 46.3 | Very low | 49 | Very low | 98 Ų | 98 | 94.8 Ų | 94.8 | 38% | 0.384 | 50% | 0.5 | S | S | . | . | trans | -72.1 | 136 | 167.2 | -86.7 | -81 | 0 | 0 | 0 | 110.7 | F131 F146 D152 | F131-Y148 HydrophobicContact CZ-CE1 4.4Å; F146-Y148 HydrophobicContact CB-CE2 4.48Å; F146-Y148 PolarHBondContact O-N 3.45Å; Y148-D152 HydrophobicContact CD1-CB 3.82Å; Y148-D152 HydrophobicContact CE1-CB 4.24Å | ||
| 149 | K | 47.8 | Very low | 49 | Very low | 162 Ų | 162 | 93.5 Ų | 93.5 | 70% | 0.704 | 50% | 0.498 | S | S | * | . | trans | -78.9 | 140.9 | 159 | -77.9 | -178.7 | 177.7 | 176.4 | 0 | 108.4 | A151 D152 | K149-A151 PolarHBondContact O-N 2.95Å; K149-D152 PolarHBondContact O-N 3.23Å | ||
| 150 | Q | 47.2 | Very low | 48.7 | Very low | 104 Ų | 104 | 92.4 Ų | 92.4 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -51.7 | -28 | -179.9 | -76.9 | 174.4 | -38.2 | 0 | 0 | 114.6 | I65 L153 | I65-Q150 HydrophobicContact CG2-CB 3.92Å; I65-Q150 HydrophobicContact CG2-CG 4.04Å; Q150-L153 WeakPolarHBondContact O-CB 3.38Å |
| 151 | A | 48.5 | Very low | 48 | Very low | 66 Ų | 66 | 92.2 Ų | 92.2 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K149 L153 V154 L155 | K149-A151 PolarHBondContact O-N 2.95Å; A151-L153 VanDerWaalsContact C-N 3.28Å; A151-L153 PolarHBondContact O-N 3.31Å; A151-V154 PolarHBondContact O-N 2.83Å; A151-L155 PolarHBondContact O-N 2.94Å |
| 152 | D | 51.5 | Low | 47.4 | Very low | 86 Ų | 86 | 89.4 Ų | 89.4 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.9 | -27.3 | -179.6 | -67.6 | -28 | 0 | 0 | 0 | 111.6 | Y148 K149 L155 A156 | Y148-D152 HydrophobicContact CD1-CB 3.82Å; Y148-D152 HydrophobicContact CE1-CB 4.24Å; K149-D152 PolarHBondContact O-N 3.23Å; D152-L155 PolarHBondContact O-N 3.48Å; D152-A156 PolarHBondContact O-N 3.02Å; D152-A156 VanDerWaalsContact O-N 3.15Å |
| 153 | L | 50.5 | Low | 46.6 | Very low | 29 Ų | 29 | 95 Ų | 95 | 15% | 0.152 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.1 | -79.2 | 114 | 0 | 0 | 0 | 111.9 | I65 F131 Q150 A151 S157 | I65-L153 HydrophobicContact CD1-CB 4.45Å; F131-L153 HydrophobicContact CD1-CB 4.34Å; F131-L153 HydrophobicContact CD1-CD2 3.46Å; F131-L153 VanDerWaalsContact CD1-CD2 3.46Å; F131-L153 HydrophobicContact CD1-CG 4.01Å; F131-L153 HydrophobicContact CE1-CB 3.9Å; F131-L153 HydrophobicContact CE1-CD2 3.2Å; F131-L153 HydrophobicContact CE1-CG 3.32Å; F131-L153 HydrophobicContact CZ-CB 4.38Å; F131-L153 HydrophobicContact CZ-CD2 4.33Å; F131-L153 HydrophobicContact CZ-CG 4.02Å; Q150-L153 WeakPolarHBondContact O-CB 3.38Å; A151-L153 VanDerWaalsContact C-N 3.28Å; A151-L153 PolarHBondContact O-N 3.31Å; L153-S157 PolarHBondContact O-N 3.13Å; L153-S157 VanDerWaalsContact O-N 3.09Å |
| 154 | V | 51.7 | Low | 46.4 | Very low | 21 Ų | 21 | 96.3 Ų | 96.3 | 13% | 0.127 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | -178.8 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | Y62 I65 A151 A156 S157 G158 | Y62-V154 HydrophobicContact CD2-CG1 4.43Å; Y62-V154 HydrophobicContact CD2-CG2 3.73Å; Y62-V154 HydrophobicContact CE2-CG2 4.42Å; I65-V154 HydrophobicContact CD1-CG2 3.55Å; A151-V154 PolarHBondContact O-N 2.83Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 2.95Å; V154-S157 PolarHBondContact O-N 3.4Å; V154-S157 PolarHBondContact O-OG 3.35Å; V154-G158 PolarHBondContact O-N 3.11Å; V154-G158 VanDerWaalsContact O-N 3.11Å |
| 155 | L | 51.9 | Low | 46.5 | Very low | 122 Ų | 122 | 98.6 Ų | 98.6 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | -178.3 | -155 | 104.7 | 0 | 0 | 0 | 111.8 | A151 D152 G158 I159 | A151-L155 PolarHBondContact O-N 2.94Å; D152-L155 PolarHBondContact O-N 3.48Å; L155-G158 PolarHBondContact O-N 2.69Å; L155-I159 PolarHBondContact O-N 2.78Å; L155-I159 VanDerWaalsContact O-N 3.15Å |
| 156 | A | 52.9 | Low | 46.7 | Very low | 25 Ų | 25 | 94.1 Ų | 94.1 | 21% | 0.207 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -72.4 | -36.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F131 D152 V154 G158 I159 L160 | F131-A156 HydrophobicContact CD2-CB 3.78Å; F131-A156 HydrophobicContact CE2-CB 3.21Å; F131-A156 HydrophobicContact CZ-CB 4.09Å; D152-A156 PolarHBondContact O-N 3.02Å; D152-A156 VanDerWaalsContact O-N 3.15Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 2.95Å; A156-G158 PolarHBondContact O-N 2.82Å; A156-I159 PolarHBondContact O-N 2.67Å; A156-L160 PolarHBondContact O-N 3.06Å; A156-L160 VanDerWaalsContact O-N 3.16Å |
| 157 | S | 48.3 | Very low | 46.9 | Very low | 9 Ų | 9 | 91 Ų | 91 | 6% | 0.063 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.8 | -34.6 | 170.9 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | L153 V154 Y161 | L153-S157 PolarHBondContact O-N 3.13Å; L153-S157 VanDerWaalsContact O-N 3.09Å; V154-S157 PolarHBondContact O-N 3.4Å; V154-S157 PolarHBondContact O-OG 3.35Å; S157-Y161 PolarHBondContact O-N 2.79Å |
| 158 | G | 44.4 | Very low | 47.2 | Very low | 7 Ų | 7 | 80.9 Ų | 80.9 | 7% | 0.072 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | F58 V154 L155 A156 L160 Y161 N162 | F58-G158 VanDerWaalsContact CE1-CA 3.5Å; V154-G158 PolarHBondContact O-N 3.11Å; V154-G158 VanDerWaalsContact O-N 3.11Å; L155-G158 PolarHBondContact O-N 2.69Å; A156-G158 PolarHBondContact O-N 2.82Å; G158-L160 VanDerWaalsContact C-N 3.34Å; G158-Y161 PolarHBondContact O-N 2.8Å; G158-N162 PolarHBondContact O-N 2.94Å |
| 159 | I | 51.9 | Low | 47.3 | Very low | 103 Ų | 103 | 79.8 Ų | 79.8 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 174.6 | -65.8 | 169 | 0 | 0 | 0 | 110.2 | L155 A156 Y161 N162 C163 | L155-I159 PolarHBondContact O-N 2.78Å; L155-I159 VanDerWaalsContact O-N 3.15Å; A156-I159 PolarHBondContact O-N 2.67Å; I159-Y161 VanDerWaalsContact C-N 3.29Å; I159-Y161 PolarHBondContact O-N 2.78Å; I159-N162 PolarHBondContact O-N 3.18Å; I159-C163 PolarHBondContact O-N 2.68Å |
| 160 | L | 47.1 | Very low | 47.3 | Very low | 67 Ų | 67 | 73.9 Ų | 73.9 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 178 | -84.2 | 150 | 0 | 0 | 0 | 113.6 | L134 A156 G158 | L134-L160 HydrophobicContact CD1-CD1 3.28Å; L134-L160 HydrophobicContact CD1-CD2 3.88Å; L134-L160 HydrophobicContact CD1-CG 4.16Å; A156-L160 PolarHBondContact O-N 3.06Å; A156-L160 VanDerWaalsContact O-N 3.16Å; G158-L160 VanDerWaalsContact C-N 3.34Å |
| 161 | Y | 40 | Very low | 47.3 | Very low | 117 Ų | 117 | 71.6 Ų | 71.6 | 46% | 0.459 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -80.2 | -22.2 | 179.3 | -155 | -89.9 | 0 | 0 | 0 | 113 | P127 S157 G158 I159 | P127-Y161 HydrophobicContact CG-CD2 4.33Å; S157-Y161 PolarHBondContact O-N 2.79Å; G158-Y161 PolarHBondContact O-N 2.8Å; I159-Y161 VanDerWaalsContact C-N 3.29Å; I159-Y161 PolarHBondContact O-N 2.78Å |
| 162 | N | 40.4 | Very low | 47.2 | Very low | 119 Ų | 119 | 72.1 Ų | 72.1 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -90.3 | -9.3 | 176.3 | -85.1 | -13.9 | 0 | 0 | 0 | 113.8 | G158 I159 | G158-N162 PolarHBondContact O-N 2.94Å; I159-N162 PolarHBondContact O-N 3.18Å |
| 163 | C | 35.4 | Very low | 46.8 | Very low | 160 Ų | 160 | 70.8 Ų | 70.8 | 100% | 1.081 | 39% | 0.392 | S | S | * | . | trans | -91.1 | 0 | 170.8 | -81.1 | 0 | 0 | 0 | 0 | 110.7 | I159 | I159-C163 PolarHBondContact O-N 2.68Š|
Retrieved 163 of 163 residues in 122.5 ms
(Link to these results)