| 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 | 41.5 | Very low | 47.5 | Very low | 252 Ų | 252 | 160 Ų | 160 | 100% | 1.241 | 86% | 0.86 | S | S | * | * | 0 | 122.6 | 0 | -78.4 | 165.7 | 166 | 0 | 0 | 108.1 | |||||
| 2 | G | 43.1 | Very low | 46.9 | Very low | 74 Ų | 74 | 153.2 Ų | 153.2 | 76% | 0.763 | 84% | 0.842 | S | S | * | * | trans | 140 | 54.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R4 | G2-R4 PolarHBondContact O-N 3.32Š| ||
| 3 | A | 53.5 | Low | 46.3 | Very low | 110 Ų | 110 | 149 Ų | 149 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -81.7 | 96.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | R | 51.6 | Low | 45.9 | Very low | 238 Ų | 238 | 152.6 Ų | 152.6 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -114.3 | 114.3 | 173.8 | -74.1 | -179.4 | 85.8 | -175.8 | 4.6 | 110.8 | G2 | G2-R4 PolarHBondContact O-N 3.32Š| ||
| 5 | S | 45.1 | Very low | 45.9 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | 69.3 | 88.9 | 141.1 | -139.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 6 | R | 53.7 | Low | 46.1 | Very low | 250 Ų | 250 | 146.1 Ų | 146.1 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -116.1 | 45.1 | 159.9 | -70.5 | -166.3 | -167.6 | 178.6 | 4.1 | 111.8 | ||||
| 7 | F | 48.3 | Very low | 46.3 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 67 | -173.4 | -120.7 | -86 | 0 | 0 | 0 | 111.8 | ||||
| 8 | S | 44.9 | Very low | 46.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -156.8 | 13.5 | 169.8 | -69.9 | 0 | 0 | 0 | 0 | 116 | ||
| 9 | Q | 47 | Very low | 47.5 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -115.6 | 1.1 | -173.3 | -88.6 | -175.8 | 6.1 | 0 | 0 | 117.2 | ||
| 10 | T | 47.3 | Very low | 47.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -97.5 | -1.6 | -175.8 | 48.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 11 | T | 46.5 | Very low | 48.3 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95.8 | -6.7 | -175.1 | -22.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 12 | A | 40.6 | Very low | 49 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -91.8 | -22.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 13 | C | 39.2 | Very low | 49.6 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -84.2 | -5 | -178.8 | -83.2 | 0 | 0 | 0 | 0 | 115 | S17 | C13-S17 PolarHBondContact O-OG 2.95Å |
| 14 | Y | 40.8 | Very low | 49.9 | Very low | 199 Ų | 199 | 124.3 Ų | 124.3 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -93.4 | -7.6 | 179.5 | -98.5 | -87.3 | 0 | 0 | 0 | 114.3 | ||
| 15 | S | 46.1 | Very low | 50.2 | Low | 86 Ų | 86 | 117.3 Ų | 117.3 | 60% | 0.601 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -89.7 | -41.5 | -177.5 | -157.4 | 0 | 0 | 0 | 0 | 112.9 | S18 | S15-S18 PolarHBondContact O-N 3.44Å; S15-S18 PolarHBondContact O-OG 2.63Å |
| 16 | Q | 47.9 | Very low | 50.7 | Low | 116 Ų | 116 | 115.5 Ų | 115.5 | 54% | 0.542 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.7 | -39.5 | -177.2 | -83 | 169.2 | -25 | 0 | 0 | 113.8 | S18 G19 L20 E57 | Q16-S18 PolarHBondContact O-N 2.99Å; Q16-G19 PolarHBondContact O-N 3.33Å; Q16-G19 VanDerWaalsContact O-N 3.17Å; Q16-L20 PolarHBondContact O-N 2.94Å; Q16-E57 PolarHBondContact NE2-OE1 2.99Å |
| 17 | S | 51.1 | Low | 50.9 | Low | 64 Ų | 64 | 107.6 Ų | 107.6 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.4 | -21.7 | 178.1 | 35.3 | 0 | 0 | 0 | 0 | 112.9 | C13 R21 | C13-S17 PolarHBondContact O-OG 2.95Å; S17-R21 WeakPolarHBondContact O-CB 3.11Å; S17-R21 PolarHBondContact O-N 3.22Å |
| 18 | S | 56.7 | Low | 51.1 | Low | 48 Ų | 48 | 107.2 Ų | 107.2 | 34% | 0.336 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.8 | -32 | 173.6 | 83.4 | 0 | 0 | 0 | 0 | 112.8 | S15 Q16 R22 | S15-S18 PolarHBondContact O-N 3.44Å; S15-S18 PolarHBondContact O-OG 2.63Å; Q16-S18 PolarHBondContact O-N 2.99Å; S18-R22 WeakPolarHBondContact O-CB 3.16Å; S18-R22 WeakPolarHBondContact O-CG 3.46Å; S18-R22 PolarHBondContact O-N 2.93Å |
| 19 | G | 57.5 | Low | 51.6 | Low | 40 Ų | 40 | 109.3 Ų | 109.3 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.7 | -48.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q16 R22 A23 | Q16-G19 PolarHBondContact O-N 3.33Å; Q16-G19 VanDerWaalsContact O-N 3.17Å; G19-R22 PolarHBondContact O-N 3.39Å; G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 2.91Å |
| 20 | L | 56.6 | Low | 51.8 | Low | 95 Ų | 95 | 103.8 Ų | 103.8 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -42.2 | 176.2 | -73.6 | 169.5 | 0 | 0 | 0 | 112.1 | Q16 R22 A23 F24 | Q16-L20 PolarHBondContact O-N 2.94Å; L20-R22 PolarHBondContact O-N 3.47Å; L20-A23 PolarHBondContact O-N 3.5Å; L20-F24 WeakPolarHBondContact O-CB 3.37Å; L20-F24 PolarHBondContact O-N 2.88Å |
| 21 | R | 56.4 | Low | 52 | Low | 174 Ų | 174 | 105.6 Ų | 105.6 | 66% | 0.657 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.5 | -41.3 | 173.5 | -88 | -174.6 | 176.3 | 176.4 | 1.1 | 112.4 | S17 F24 L25 | S17-R21 WeakPolarHBondContact O-CB 3.11Å; S17-R21 PolarHBondContact O-N 3.22Å; R21-F24 PolarHBondContact O-N 2.88Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.44Å; R21-L25 PolarHBondContact O-N 3.3Å |
| 22 | R | 56 | Low | 52.1 | Low | 178 Ų | 178 | 104.9 Ų | 104.9 | 67% | 0.672 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.6 | -44.9 | 175 | -80.6 | -177.2 | -156.1 | -161.2 | 5.4 | 111.5 | S18 G19 L20 F24 L25 S26 | S18-R22 WeakPolarHBondContact O-CB 3.16Å; S18-R22 WeakPolarHBondContact O-CG 3.46Å; S18-R22 PolarHBondContact O-N 2.93Å; G19-R22 PolarHBondContact O-N 3.39Å; L20-R22 PolarHBondContact O-N 3.47Å; R22-F24 VanDerWaalsContact C-N 3.3Å; R22-F24 PolarHBondContact O-N 3.33Å; R22-L25 PolarHBondContact O-N 3.46Å; R22-S26 WeakPolarHBondContact O-CB 3.2Å; R22-S26 PolarHBondContact O-N 3.46Å; R22-S26 PolarHBondContact O-OG 3.32Å |
| 23 | A | 55.5 | Low | 52.4 | Low | 48 Ų | 48 | 106.3 Ų | 106.3 | 40% | 0.397 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58 | -44.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | G19 L20 S26 I27 | G19-A23 WeakPolarHBondContact O-CB 3.4Å; G19-A23 PolarHBondContact O-N 2.91Å; L20-A23 PolarHBondContact O-N 3.5Å; A23-S26 WeakPolarHBondContact O-CB 3.46Å; A23-S26 PolarHBondContact O-N 3.37Å; A23-I27 VanDerWaalsContact O-CG1 3.29Å; A23-I27 WeakPolarHBondContact O-CG1 3.31Å; A23-I27 PolarHBondContact O-N 3.47Å |
| 24 | F | 58.5 | Low | 52.6 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 27% | 0.272 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.7 | -44.9 | 176.7 | -170.7 | -94.6 | 0 | 0 | 0 | 113.3 | L20 R21 R22 S26 I27 R28 T43 L47 | L20-F24 WeakPolarHBondContact O-CB 3.37Å; L20-F24 PolarHBondContact O-N 2.88Å; R21-F24 PolarHBondContact O-N 2.88Å; R22-F24 VanDerWaalsContact C-N 3.3Å; R22-F24 PolarHBondContact O-N 3.33Å; F24-S26 VanDerWaalsContact C-N 3.28Å; F24-S26 PolarHBondContact O-N 3.17Å; F24-I27 PolarHBondContact O-N 2.93Å; F24-R28 PolarHBondContact O-N 3.16Å; F24-T43 HydrophobicContact CZ-CG2 4.29Å; F24-L47 HydrophobicContact CD1-CD1 3.9Å; F24-L47 HydrophobicContact CD2-CD1 4.02Å; F24-L47 HydrophobicContact CE1-CD1 3.47Å; F24-L47 VanDerWaalsContact CE1-CD1 3.47Å; F24-L47 HydrophobicContact CE2-CD1 3.61Å; F24-L47 HydrophobicContact CG-CD1 4.16Å; F24-L47 HydrophobicContact CZ-CD1 3.31Å |
| 25 | L | 59.7 | Low | 52.6 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.2 | -35.7 | 174.5 | -73.3 | 171.8 | 0 | 0 | 0 | 111.9 | R21 R22 R28 Q29 | R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 VanDerWaalsContact O-CG 3.3Å; R21-L25 WeakPolarHBondContact O-CG 3.44Å; R21-L25 PolarHBondContact O-N 3.3Å; R22-L25 PolarHBondContact O-N 3.46Å; L25-R28 PolarHBondContact O-N 3.28Å; L25-Q29 WeakPolarHBondContact O-CB 3.18Å; L25-Q29 WeakPolarHBondContact O-CG 3.27Å; L25-Q29 PolarHBondContact O-N 2.94Å |
| 26 | S | 55.1 | Low | 52.4 | Low | 69 Ų | 69 | 109.4 Ų | 109.4 | 48% | 0.483 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.9 | -41.8 | 176.7 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | R22 A23 F24 Q29 A30 | R22-S26 WeakPolarHBondContact O-CB 3.2Å; R22-S26 PolarHBondContact O-N 3.46Å; R22-S26 PolarHBondContact O-OG 3.32Å; A23-S26 WeakPolarHBondContact O-CB 3.46Å; A23-S26 PolarHBondContact O-N 3.37Å; F24-S26 VanDerWaalsContact C-N 3.28Å; F24-S26 PolarHBondContact O-N 3.17Å; S26-Q29 PolarHBondContact O-N 2.73Å; S26-A30 VanDerWaalsContact O-CB 3.28Å; S26-A30 WeakPolarHBondContact O-CB 3.45Å; S26-A30 PolarHBondContact O-N 3.48Å |
| 27 | I | 57.1 | Low | 52.1 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 43% | 0.431 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62 | -48.6 | 173.7 | -69.5 | 166.2 | 0 | 0 | 0 | 109.7 | A23 F24 Q29 A30 F31 | A23-I27 VanDerWaalsContact O-CG1 3.29Å; A23-I27 WeakPolarHBondContact O-CG1 3.31Å; A23-I27 PolarHBondContact O-N 3.47Å; F24-I27 PolarHBondContact O-N 2.93Å; I27-Q29 VanDerWaalsContact C-N 3.28Å; I27-Q29 PolarHBondContact O-N 3.36Å; I27-A30 PolarHBondContact O-N 2.9Å; I27-A30 VanDerWaalsContact O-N 3.09Å; I27-F31 HydrophobicContact CG2-CD2 4.03Å; I27-F31 HydrophobicContact CG2-CE2 3.89Å; I27-F31 WeakPolarHBondContact O-CD2 3.44Å; I27-F31 PolarHBondContact O-N 2.88Å |
| 28 | R | 53 | Low | 51.7 | Low | 184 Ų | 184 | 115.6 Ų | 115.6 | 69% | 0.694 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.8 | -34.9 | 179.1 | -170.5 | 178 | 176.1 | -171.1 | -0.4 | 113.2 | F24 L25 | F24-R28 PolarHBondContact O-N 3.16Å; L25-R28 PolarHBondContact O-N 3.28Å |
| 29 | Q | 55.3 | Low | 51.1 | Low | 153 Ų | 153 | 115.6 Ų | 115.6 | 72% | 0.715 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.7 | -28.7 | 175.6 | -73 | 179.7 | 0.5 | 0 | 0 | 113 | L25 S26 I27 F31 | L25-Q29 WeakPolarHBondContact O-CB 3.18Å; L25-Q29 WeakPolarHBondContact O-CG 3.27Å; L25-Q29 PolarHBondContact O-N 2.94Å; S26-Q29 PolarHBondContact O-N 2.73Å; I27-Q29 VanDerWaalsContact C-N 3.28Å; I27-Q29 PolarHBondContact O-N 3.36Å; Q29-F31 VanDerWaalsContact C-N 3.25Å; Q29-F31 PolarHBondContact O-N 3.4Å |
| 30 | A | 51.4 | Low | 50.5 | Low | 70 Ų | 70 | 120.4 Ų | 120.4 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.3 | -14.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S26 I27 P32 | S26-A30 VanDerWaalsContact O-CB 3.28Å; S26-A30 WeakPolarHBondContact O-CB 3.45Å; S26-A30 PolarHBondContact O-N 3.48Å; I27-A30 PolarHBondContact O-N 2.9Å; I27-A30 VanDerWaalsContact O-N 3.09Å; A30-P32 WeakPolarHBondContact O-CD 3.34Å |
| 31 | F | 51.8 | Low | 50 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | trans | -112.1 | 67.8 | 173.6 | -63.9 | -74.5 | 0 | 0 | 0 | 112.4 | I27 Q29 S33 | I27-F31 HydrophobicContact CG2-CD2 4.03Å; I27-F31 HydrophobicContact CG2-CE2 3.89Å; I27-F31 WeakPolarHBondContact O-CD2 3.44Å; I27-F31 PolarHBondContact O-N 2.88Å; Q29-F31 VanDerWaalsContact C-N 3.25Å; Q29-F31 PolarHBondContact O-N 3.4Å; F31-S33 PolarHBondContact O-N 3.28Å; F31-S33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | P | 47.1 | Very low | 49.7 | Very low | 110 Ų | 110 | 114.4 Ų | 114.4 | 71% | 0.714 | 60% | 0.597 | S | S | * | * | trans | -79.2 | 13.6 | -179.3 | 33.6 | -34.7 | 0 | 0 | 0 | 114.1 | A30 G34 | A30-P32 WeakPolarHBondContact O-CD 3.34Å; P32-G34 PolarHBondContact O-N 3.29Å | ||
| 33 | S | 46.8 | Very low | 49.4 | Very low | 108 Ų | 108 | 108.9 Ų | 108.9 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | trans | -89 | 91.2 | -171.6 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | F31 R35 | F31-S33 PolarHBondContact O-N 3.28Å; F31-S33 VanDerWaalsContact O-N 3.16Å; S33-R35 VanDerWaalsContact C-N 3.33Å; S33-R35 PolarHBondContact O-N 3Å | ||
| 34 | G | 43.8 | Very low | 49.2 | Very low | 82 Ų | 82 | 109.3 Ų | 109.3 | 85% | 0.845 | 58% | 0.584 | S | S | * | * | trans | -67.2 | 69.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P32 | P32-G34 PolarHBondContact O-N 3.29Š| ||
| 35 | R | 41.4 | Very low | 49 | Very low | 236 Ų | 236 | 111.1 Ų | 111.1 | 89% | 0.891 | 60% | 0.596 | S | S | * | * | trans | -150 | 22.2 | 170.1 | -92.4 | -152.9 | -168.3 | 177.3 | 5.7 | 116.9 | S33 | S33-R35 VanDerWaalsContact C-N 3.33Å; S33-R35 PolarHBondContact O-N 3Å | ||
| 36 | Q | 42.2 | Very low | 48.7 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | trans | -140.2 | 114.4 | 172.1 | -64.9 | -86.6 | -6.2 | 0 | 0 | 109.1 | Y38 | Q36-Y38 HydrophobicContact CB-CD2 3.24Å; Q36-Y38 HydrophobicContact CB-CE2 3.73Å; Q36-Y38 HydrophobicContact CB-CG 4.12Å; Q36-Y38 HydrophobicContact CG-CD2 3.67Å; Q36-Y38 HydrophobicContact CG-CE2 3.62Å; Q36-Y38 PolarHBondContact O-N 3.06Å | ||
| 37 | Q | 40.9 | Very low | 48.7 | Very low | 205 Ų | 205 | 107.5 Ų | 107.5 | 96% | 0.958 | 57% | 0.573 | S | S | * | * | trans | -65.1 | 50 | 160.4 | -65.4 | 166.3 | -71.4 | 0 | 0 | 109.8 | S39 | Q37-S39 PolarHBondContact O-N 2.98Š| ||
| 38 | Y | 43.7 | Very low | 48.6 | Very low | 106 Ų | 106 | 108.5 Ų | 108.5 | 42% | 0.416 | 58% | 0.579 | S | S | . | * | trans | -72.7 | 77.5 | 167.9 | -84.6 | -61.3 | 0 | 0 | 0 | 107.3 | Q36 T78 | Q36-Y38 HydrophobicContact CB-CD2 3.24Å; Q36-Y38 HydrophobicContact CB-CE2 3.73Å; Q36-Y38 HydrophobicContact CB-CG 4.12Å; Q36-Y38 HydrophobicContact CG-CD2 3.67Å; Q36-Y38 HydrophobicContact CG-CE2 3.62Å; Q36-Y38 PolarHBondContact O-N 3.06Å; Y38-T78 WeakPolarHBondContact OH-CG2 3.36Å; Y38-T78 PolarHBondContact OH-OG1 2.76Å | ||
| 39 | S | 43.7 | Very low | 48.8 | Very low | 48 Ų | 48 | 104 Ų | 104 | 34% | 0.336 | 57% | 0.568 | S | S | . | * | trans | 36.7 | 88.7 | 154.2 | -168.8 | 0 | 0 | 0 | 0 | 113.6 | Q37 A41 M42 T43 | Q37-S39 PolarHBondContact O-N 2.98Å; S39-A41 PolarHBondContact O-N 3.34Å; S39-A41 WeakPolarHBondContact OG-CB 3.4Å; S39-M42 WeakPolarHBondContact O-CA 3.45Å; S39-M42 WeakPolarHBondContact O-CB 3.35Å; S39-M42 PolarHBondContact O-N 3.27Å; S39-M42 PolarHBondContact OG-N 2.89Å; S39-T43 PolarHBondContact O-N 2.95Å | ||
| 40 | L | 44.1 | Very low | 48.7 | Very low | 140 Ų | 140 | 99.1 Ų | 99.1 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -49.1 | -28.1 | 160.5 | -145 | 141.8 | 0 | 0 | 0 | 110 | T43 S44 | L40-T43 VanDerWaalsContact CA-OG1 3.31Å; L40-T43 WeakPolarHBondContact CA-OG1 3.45Å; L40-T43 PolarHBondContact O-N 3.26Å; L40-T43 PolarHBondContact O-OG1 2.69Å; L40-S44 WeakPolarHBondContact O-CB 3.42Å; L40-S44 PolarHBondContact O-N 3.31Å; L40-S44 PolarHBondContact O-OG 2.92Å |
| 41 | A | 46.2 | Very low | 49 | Very low | 56 Ų | 56 | 101.6 Ų | 101.6 | 46% | 0.463 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | S39 S44 N45 | S39-A41 PolarHBondContact O-N 3.34Å; S39-A41 WeakPolarHBondContact OG-CB 3.4Å; A41-S44 PolarHBondContact O-N 2.98Å; A41-N45 VanDerWaalsContact O-CB 3.31Å; A41-N45 WeakPolarHBondContact O-CB 3.39Å; A41-N45 VanDerWaalsContact O-CG 3.23Å; A41-N45 PolarHBondContact O-N 2.96Å; A41-N45 PolarHBondContact O-ND2 3.17Å |
| 42 | M | 49.4 | Very low | 49.3 | Very low | 87 Ų | 87 | 98.4 Ų | 98.4 | 43% | 0.429 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 169.9 | -101.9 | -172.8 | 171.2 | 0 | 0 | 110.2 | S39 S44 N45 S46 E74 | S39-M42 WeakPolarHBondContact O-CA 3.45Å; S39-M42 WeakPolarHBondContact O-CB 3.35Å; S39-M42 PolarHBondContact O-N 3.27Å; S39-M42 PolarHBondContact OG-N 2.89Å; M42-S44 VanDerWaalsContact C-N 3.27Å; M42-S44 PolarHBondContact O-N 3.39Å; M42-N45 PolarHBondContact O-N 3.4Å; M42-S46 WeakPolarHBondContact O-CB 3.37Å; M42-S46 PolarHBondContact O-N 2.91Å; M42-S46 PolarHBondContact O-OG 2.82Å; M42-E74 WeakPolarHBondContact CE-OE2 3.31Å |
| 43 | T | 50.8 | Low | 49.5 | Very low | 63 Ų | 63 | 96.3 Ų | 96.3 | 39% | 0.387 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 176.6 | 41.3 | 0 | 0 | 0 | 0 | 112.5 | F24 S39 L40 L47 | F24-T43 HydrophobicContact CZ-CG2 4.29Å; S39-T43 PolarHBondContact O-N 2.95Å; L40-T43 VanDerWaalsContact CA-OG1 3.31Å; L40-T43 WeakPolarHBondContact CA-OG1 3.45Å; L40-T43 PolarHBondContact O-N 3.26Å; L40-T43 PolarHBondContact O-OG1 2.69Å; T43-L47 WeakPolarHBondContact O-CB 3.36Å; T43-L47 PolarHBondContact O-N 2.89Å |
| 44 | S | 50.6 | Low | 49.7 | Very low | 57 Ų | 57 | 95.8 Ų | 95.8 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | L40 A41 M42 L47 L48 | L40-S44 WeakPolarHBondContact O-CB 3.42Å; L40-S44 PolarHBondContact O-N 3.31Å; L40-S44 PolarHBondContact O-OG 2.92Å; A41-S44 PolarHBondContact O-N 2.98Å; M42-S44 VanDerWaalsContact C-N 3.27Å; M42-S44 PolarHBondContact O-N 3.39Å; S44-L47 PolarHBondContact O-N 2.79Å; S44-L48 WeakPolarHBondContact O-CG 3.4Å; S44-L48 PolarHBondContact O-N 2.86Å |
| 45 | N | 53.9 | Low | 50.4 | Low | 99 Ų | 99 | 102.2 Ų | 102.2 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -38.8 | 177.5 | -75.8 | -18.7 | 0 | 0 | 0 | 112.1 | A41 M42 L47 L48 L49 | A41-N45 VanDerWaalsContact O-CB 3.31Å; A41-N45 WeakPolarHBondContact O-CB 3.39Å; A41-N45 VanDerWaalsContact O-CG 3.23Å; A41-N45 PolarHBondContact O-N 2.96Å; A41-N45 PolarHBondContact O-ND2 3.17Å; M42-N45 PolarHBondContact O-N 3.4Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-L48 PolarHBondContact O-N 2.79Å; N45-L49 PolarHBondContact O-N 3.34Å |
| 46 | S | 53.3 | Low | 51.3 | Low | 23 Ų | 23 | 95.6 Ų | 95.6 | 16% | 0.161 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 173.6 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | M42 L49 I50 | M42-S46 WeakPolarHBondContact O-CB 3.37Å; M42-S46 PolarHBondContact O-N 2.91Å; M42-S46 PolarHBondContact O-OG 2.82Å; S46-L49 PolarHBondContact O-N 2.91Å; S46-I50 WeakPolarHBondContact O-CD1 3.49Å; S46-I50 WeakPolarHBondContact O-CG1 3.46Å; S46-I50 PolarHBondContact O-N 3.4Å |
| 47 | L | 55.9 | Low | 51.9 | Low | 60 Ų | 60 | 94.8 Ų | 94.8 | 31% | 0.314 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.3 | -129 | 99.1 | 0 | 0 | 0 | 111.8 | F24 T43 S44 N45 L49 I50 E51 | F24-L47 HydrophobicContact CD1-CD1 3.9Å; F24-L47 HydrophobicContact CD2-CD1 4.02Å; F24-L47 HydrophobicContact CE1-CD1 3.47Å; F24-L47 VanDerWaalsContact CE1-CD1 3.47Å; F24-L47 HydrophobicContact CE2-CD1 3.61Å; F24-L47 HydrophobicContact CG-CD1 4.16Å; F24-L47 HydrophobicContact CZ-CD1 3.31Å; T43-L47 WeakPolarHBondContact O-CB 3.36Å; T43-L47 PolarHBondContact O-N 2.89Å; S44-L47 PolarHBondContact O-N 2.79Å; N45-L47 VanDerWaalsContact C-N 3.34Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-I50 PolarHBondContact O-N 2.84Å; L47-E51 WeakPolarHBondContact O-CB 3.41Å; L47-E51 WeakPolarHBondContact O-CG 3.24Å; L47-E51 PolarHBondContact O-N 3.23Å |
| 48 | L | 55.3 | Low | 52.7 | Low | 106 Ų | 106 | 92.5 Ų | 92.5 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 176.5 | -73.7 | 169.1 | 0 | 0 | 0 | 111.4 | S44 N45 E51 S52 | S44-L48 WeakPolarHBondContact O-CG 3.4Å; S44-L48 PolarHBondContact O-N 2.86Å; N45-L48 PolarHBondContact O-N 2.79Å; L48-E51 PolarHBondContact O-N 3.48Å; L48-S52 WeakPolarHBondContact O-CB 3.38Å; L48-S52 PolarHBondContact O-N 3.19Å; L48-S52 PolarHBondContact O-OG 3.29Å |
| 49 | L | 57.6 | Low | 53.3 | Low | 88 Ų | 88 | 90.7 Ų | 90.7 | 46% | 0.461 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 173.5 | -116.3 | 104.3 | 0 | 0 | 0 | 111.3 | N45 S46 L47 S52 Q53 | N45-L49 PolarHBondContact O-N 3.34Å; S46-L49 PolarHBondContact O-N 2.91Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L49-S52 PolarHBondContact O-N 3.32Å; L49-S52 PolarHBondContact O-OG 3.02Å; L49-Q53 WeakPolarHBondContact O-CG 3.43Å; L49-Q53 PolarHBondContact O-N 3.46Å |
| 50 | I | 53.1 | Low | 53.9 | Low | 51 Ų | 51 | 89.2 Ų | 89.2 | 26% | 0.262 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | 179.6 | -64.3 | 160.9 | 0 | 0 | 0 | 111.5 | S46 L47 S52 V64 | S46-I50 WeakPolarHBondContact O-CD1 3.49Å; S46-I50 WeakPolarHBondContact O-CG1 3.46Å; S46-I50 PolarHBondContact O-N 3.4Å; L47-I50 PolarHBondContact O-N 2.84Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.17Å; I50-V64 HydrophobicContact CD1-CG2 3.73Å; I50-V64 HydrophobicContact CG1-CG2 3.9Å |
| 51 | E | 56.3 | Low | 54.8 | Low | 122 Ų | 122 | 87 Ų | 87 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.7 | -22.4 | 176.4 | -73.8 | -174.6 | 163.2 | 0 | 0 | 113 | L47 L48 | L47-E51 WeakPolarHBondContact O-CB 3.41Å; L47-E51 WeakPolarHBondContact O-CG 3.24Å; L47-E51 PolarHBondContact O-N 3.23Å; L48-E51 PolarHBondContact O-N 3.48Å |
| 52 | S | 58.3 | Low | 55.6 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 63% | 0.629 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -91.4 | -9.2 | 179 | 71.8 | 0 | 0 | 0 | 0 | 114.9 | L48 L49 I50 | L48-S52 WeakPolarHBondContact O-CB 3.38Å; L48-S52 PolarHBondContact O-N 3.19Å; L48-S52 PolarHBondContact O-OG 3.29Å; L49-S52 PolarHBondContact O-N 3.32Å; L49-S52 PolarHBondContact O-OG 3.02Å; I50-S52 VanDerWaalsContact C-N 3.31Å; I50-S52 PolarHBondContact O-N 3.17Å |
| 53 | Q | 52.9 | Low | 56.2 | Low | 65 Ų | 65 | 83.2 Ų | 83.2 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -80.4 | 131.3 | -175.6 | -80.5 | -91.9 | 4.1 | 0 | 0 | 111.7 | L49 K55 | L49-Q53 WeakPolarHBondContact O-CG 3.43Å; L49-Q53 PolarHBondContact O-N 3.46Å; Q53-K55 PolarHBondContact O-N 2.77Å |
| 54 | P | 50.4 | Low | 56.8 | Low | 97 Ų | 97 | 82.4 Ų | 82.4 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | trans | -81.2 | 115.6 | -170.9 | 30.7 | -32.7 | 0 | 0 | 0 | 111.9 | D56 | P54-D56 PolarHBondContact O-N 2.94Š| ||
| 55 | K | 58.4 | Low | 57.5 | Low | 218 Ų | 218 | 84.8 Ų | 84.8 | 95% | 0.948 | 45% | 0.451 | S | S | * | . | S | Bend | trans | 44.4 | -8.4 | 155.3 | -70.3 | -177.5 | -179.6 | 177.6 | 0 | 121.4 | Q53 | Q53-K55 PolarHBondContact O-N 2.77Š|
| 56 | D | 59.5 | Low | 58.2 | Low | 96 Ų | 96 | 83.7 Ų | 83.7 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | trans | -105.5 | 104.8 | -174 | -127.8 | -45.7 | 0 | 0 | 0 | 108.1 | P54 E58 V59 A60 | P54-D56 PolarHBondContact O-N 2.94Å; D56-E58 PolarHBondContact O-N 2.72Å; D56-V59 HydrophobicContact CB-CB 4.23Å; D56-V59 HydrophobicContact CB-CG2 3.85Å; D56-V59 PolarHBondContact O-N 2.87Å; D56-V59 VanDerWaalsContact O-N 3.17Å; D56-A60 PolarHBondContact O-N 3.42Å; D56-A60 VanDerWaalsContact O-N 3.16Å | ||
| 57 | E | 55.8 | Low | 58.8 | Low | 113 Ų | 113 | 84.9 Ų | 84.9 | 53% | 0.528 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.1 | -34.2 | -177.5 | -69.7 | -176.1 | 162.5 | 0 | 0 | 111.2 | Q16 V59 A60 I61 | Q16-E57 PolarHBondContact NE2-OE1 2.99Å; E57-V59 PolarHBondContact O-N 3.25Å; E57-A60 PolarHBondContact O-N 3.35Å; E57-I61 WeakPolarHBondContact O-CB 3.41Å; E57-I61 WeakPolarHBondContact O-CD1 3.31Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 3.49Å |
| 58 | E | 57.2 | Low | 59.3 | Low | 158 Ų | 158 | 85.2 Ų | 85.2 | 74% | 0.738 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.8 | -39.5 | 177.8 | -67.1 | -166 | 147.7 | 0 | 0 | 112.5 | D56 I61 A62 | D56-E58 PolarHBondContact O-N 2.72Å; E58-I61 PolarHBondContact O-N 3.44Å; E58-A62 WeakPolarHBondContact O-CB 3.38Å; E58-A62 PolarHBondContact O-N 3.34Å |
| 59 | V | 57 | Low | 59.7 | Low | 68 Ų | 68 | 88.5 Ų | 88.5 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.3 | -36.9 | 179 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | D56 E57 A62 A63 | D56-V59 HydrophobicContact CB-CB 4.23Å; D56-V59 HydrophobicContact CB-CG2 3.85Å; D56-V59 PolarHBondContact O-N 2.87Å; D56-V59 VanDerWaalsContact O-N 3.17Å; E57-V59 PolarHBondContact O-N 3.25Å; V59-A62 PolarHBondContact O-N 2.84Å; V59-A63 WeakPolarHBondContact O-CB 3.44Å; V59-A63 PolarHBondContact O-N 3.32Å |
| 60 | A | 56.2 | Low | 60 | Low | 17 Ų | 17 | 89.7 Ų | 89.7 | 14% | 0.14 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D56 E57 A63 V64 | D56-A60 PolarHBondContact O-N 3.42Å; D56-A60 VanDerWaalsContact O-N 3.16Å; E57-A60 PolarHBondContact O-N 3.35Å; A60-A63 PolarHBondContact O-N 3.43Å; A60-V64 VanDerWaalsContact O-CG2 3.27Å; A60-V64 WeakPolarHBondContact O-CG2 3.43Å; A60-V64 PolarHBondContact O-N 2.83Å |
| 61 | I | 61.9 | Low | 60.5 | Low | 94 Ų | 94 | 89.7 Ų | 89.7 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 175.2 | -68.5 | 163.2 | 0 | 0 | 0 | 109.8 | E57 E58 A63 V64 E65 | E57-I61 WeakPolarHBondContact O-CB 3.41Å; E57-I61 WeakPolarHBondContact O-CD1 3.31Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 3.49Å; E58-I61 PolarHBondContact O-N 3.44Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 2.88Å; I61-V64 PolarHBondContact O-N 2.8Å; I61-E65 HydrophobicContact CG2-CG 4.22Å; I61-E65 WeakPolarHBondContact O-CB 3.26Å; I61-E65 WeakPolarHBondContact O-CG 3.3Å; I61-E65 PolarHBondContact O-N 3.4Å |
| 62 | A | 63.4 | Low | 60.8 | Low | 45 Ų | 45 | 87.4 Ų | 87.4 | 37% | 0.372 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E58 V59 T66 | E58-A62 WeakPolarHBondContact O-CB 3.38Å; E58-A62 PolarHBondContact O-N 3.34Å; V59-A62 PolarHBondContact O-N 2.84Å; A62-T66 WeakPolarHBondContact O-CB 3.31Å; A62-T66 PolarHBondContact O-N 3.27Å; A62-T66 PolarHBondContact O-OG1 3.3Å |
| 63 | A | 62.8 | Low | 60.9 | Low | 17 Ų | 17 | 88.3 Ų | 88.3 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V59 A60 I61 T66 V67 | V59-A63 WeakPolarHBondContact O-CB 3.44Å; V59-A63 PolarHBondContact O-N 3.32Å; A60-A63 PolarHBondContact O-N 3.43Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 2.88Å; A63-T66 PolarHBondContact O-N 2.75Å; A63-V67 VanDerWaalsContact O-CG2 3.31Å; A63-V67 WeakPolarHBondContact O-CG2 3.34Å; A63-V67 PolarHBondContact O-N 2.96Å |
| 64 | V | 63.9 | Low | 61.2 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 28% | 0.279 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | I50 A60 I61 T66 V67 V68 | I50-V64 HydrophobicContact CD1-CG2 3.73Å; I50-V64 HydrophobicContact CG1-CG2 3.9Å; A60-V64 VanDerWaalsContact O-CG2 3.27Å; A60-V64 WeakPolarHBondContact O-CG2 3.43Å; A60-V64 PolarHBondContact O-N 2.83Å; I61-V64 PolarHBondContact O-N 2.8Å; V64-T66 VanDerWaalsContact C-N 3.29Å; V64-T66 PolarHBondContact O-N 2.78Å; V64-V67 PolarHBondContact O-N 2.6Å; V64-V68 HydrophobicContact CG1-CG2 4.21Å; V64-V68 WeakPolarHBondContact O-CB 3.47Å; V64-V68 VanDerWaalsContact O-CG2 3.24Å; V64-V68 WeakPolarHBondContact O-CG2 3.38Å; V64-V68 PolarHBondContact O-N 3.49Å |
| 65 | E | 64.9 | Low | 61.5 | Low | 107 Ų | 107 | 87 Ų | 87 | 50% | 0.5 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 175.5 | -76.3 | -175.1 | 167.8 | 0 | 0 | 111.7 | I61 V68 R69 | I61-E65 HydrophobicContact CG2-CG 4.22Å; I61-E65 WeakPolarHBondContact O-CB 3.26Å; I61-E65 WeakPolarHBondContact O-CG 3.3Å; I61-E65 PolarHBondContact O-N 3.4Å; E65-V68 PolarHBondContact O-N 2.95Å; E65-R69 VanDerWaalsContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CB 3.12Å; E65-R69 WeakPolarHBondContact O-CG 3.29Å; E65-R69 PolarHBondContact O-N 3Å |
| 66 | T | 68.5 | Low | 61.2 | Low | 76 Ų | 76 | 78.1 Ų | 78.1 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | A62 A63 V64 R69 Q70 | A62-T66 WeakPolarHBondContact O-CB 3.31Å; A62-T66 PolarHBondContact O-N 3.27Å; A62-T66 PolarHBondContact O-OG1 3.3Å; A63-T66 PolarHBondContact O-N 2.75Å; V64-T66 VanDerWaalsContact C-N 3.29Å; V64-T66 PolarHBondContact O-N 2.78Å; T66-R69 PolarHBondContact O-N 3.43Å; T66-Q70 WeakPolarHBondContact O-CB 3.41Å; T66-Q70 WeakPolarHBondContact O-CG 3.33Å; T66-Q70 PolarHBondContact O-N 2.82Å |
| 67 | V | 64.8 | Low | 60.9 | Low | 49 Ų | 49 | 83 Ų | 83 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | A63 V64 Q70 A71 | A63-V67 VanDerWaalsContact O-CG2 3.31Å; A63-V67 WeakPolarHBondContact O-CG2 3.34Å; A63-V67 PolarHBondContact O-N 2.96Å; V64-V67 PolarHBondContact O-N 2.6Å; V67-Q70 PolarHBondContact O-N 3.32Å; V67-A71 WeakPolarHBondContact O-CB 3.28Å; V67-A71 PolarHBondContact O-N 3.16Å |
| 68 | V | 66.7 | Low | 60.7 | Low | 66 Ų | 66 | 81.3 Ų | 81.3 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.9 | 171 | 0 | 0 | 0 | 0 | 110.7 | V64 E65 Q70 A71 L72 | V64-V68 HydrophobicContact CG1-CG2 4.21Å; V64-V68 WeakPolarHBondContact O-CB 3.47Å; V64-V68 VanDerWaalsContact O-CG2 3.24Å; V64-V68 WeakPolarHBondContact O-CG2 3.38Å; V64-V68 PolarHBondContact O-N 3.49Å; E65-V68 PolarHBondContact O-N 2.95Å; V68-Q70 PolarHBondContact O-N 3.41Å; V68-A71 PolarHBondContact O-N 3.29Å; V68-L72 HydrophobicContact CG1-CD1 3.91Å; V68-L72 HydrophobicContact CG1-CG 4.33Å; V68-L72 WeakPolarHBondContact O-CB 3.38Å; V68-L72 VanDerWaalsContact O-CG 3.28Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3Å |
| 69 | R | 64.5 | Low | 60.1 | Low | 176 Ų | 176 | 77 Ų | 77 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 175 | -82.2 | -175.8 | 179.5 | 173.3 | 2.9 | 112 | E65 T66 L72 M73 | E65-R69 VanDerWaalsContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CB 3.12Å; E65-R69 WeakPolarHBondContact O-CG 3.29Å; E65-R69 PolarHBondContact O-N 3Å; T66-R69 PolarHBondContact O-N 3.43Å; R69-L72 PolarHBondContact O-N 2.99Å; R69-M73 WeakPolarHBondContact O-CB 3.44Å; R69-M73 WeakPolarHBondContact O-CG 3.41Å; R69-M73 PolarHBondContact O-N 2.84Å |
| 70 | Q | 63.9 | Low | 59.6 | Low | 113 Ų | 113 | 77.9 Ų | 77.9 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.7 | -77.6 | -178.5 | -13 | 0 | 0 | 111.5 | T66 V67 V68 L72 M73 E74 | T66-Q70 WeakPolarHBondContact O-CB 3.41Å; T66-Q70 WeakPolarHBondContact O-CG 3.33Å; T66-Q70 PolarHBondContact O-N 2.82Å; V67-Q70 PolarHBondContact O-N 3.32Å; V68-Q70 PolarHBondContact O-N 3.41Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 PolarHBondContact O-N 3.11Å; Q70-M73 PolarHBondContact O-N 3.42Å; Q70-E74 WeakPolarHBondContact O-CG 3.3Å; Q70-E74 PolarHBondContact O-N 3.03Å |
| 71 | A | 62.5 | Low | 59.4 | Low | 50 Ų | 50 | 82.2 Ų | 82.2 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V67 V68 S75 | V67-A71 WeakPolarHBondContact O-CB 3.28Å; V67-A71 PolarHBondContact O-N 3.16Å; V68-A71 PolarHBondContact O-N 3.29Å; A71-S75 WeakPolarHBondContact O-CB 3.37Å; A71-S75 PolarHBondContact O-N 2.85Å |
| 72 | L | 62.6 | Low | 58.6 | Low | 74 Ų | 74 | 82.6 Ų | 82.6 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 174.5 | -74.8 | 172.4 | 0 | 0 | 0 | 112 | V68 R69 Q70 S75 T76 | V68-L72 HydrophobicContact CG1-CD1 3.91Å; V68-L72 HydrophobicContact CG1-CG 4.33Å; V68-L72 WeakPolarHBondContact O-CB 3.38Å; V68-L72 VanDerWaalsContact O-CG 3.28Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3Å; R69-L72 PolarHBondContact O-N 2.99Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 PolarHBondContact O-N 3.11Å; L72-S75 PolarHBondContact O-N 2.71Å; L72-T76 WeakPolarHBondContact O-CB 3.42Å; L72-T76 WeakPolarHBondContact O-CG2 3.46Å; L72-T76 PolarHBondContact O-N 3.36Å; L72-T76 PolarHBondContact O-OG1 3.42Å |
| 73 | M | 60.6 | Low | 57.8 | Low | 110 Ų | 110 | 82 Ų | 82 | 54% | 0.542 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.9 | -79.5 | -179.2 | 45.7 | 0 | 0 | 112.7 | R69 Q70 T76 R77 | R69-M73 WeakPolarHBondContact O-CB 3.44Å; R69-M73 WeakPolarHBondContact O-CG 3.41Å; R69-M73 PolarHBondContact O-N 2.84Å; Q70-M73 PolarHBondContact O-N 3.42Å; M73-T76 VanDerWaalsContact CA-OG1 3.26Å; M73-T76 WeakPolarHBondContact CA-OG1 3.18Å; M73-T76 PolarHBondContact O-OG1 3.23Å; M73-R77 WeakPolarHBondContact O-CG 3.33Å; M73-R77 PolarHBondContact O-N 3.13Å; M73-R77 VanDerWaalsContact O-N 3.11Å |
| 74 | E | 60.5 | Low | 56.8 | Low | 88 Ų | 88 | 83.8 Ų | 83.8 | 41% | 0.411 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.7 | -40.1 | 175.4 | -73.1 | -173.5 | 171.5 | 0 | 0 | 111.5 | M42 Q70 R77 T78 | M42-E74 WeakPolarHBondContact CE-OE2 3.31Å; Q70-E74 WeakPolarHBondContact O-CG 3.3Å; Q70-E74 PolarHBondContact O-N 3.03Å; E74-R77 PolarHBondContact O-N 3.21Å; E74-T78 PolarHBondContact O-N 3.13Å |
| 75 | S | 55.7 | Low | 55.9 | Low | 47 Ų | 47 | 87 Ų | 87 | 33% | 0.329 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | A71 L72 R77 T78 L79 | A71-S75 WeakPolarHBondContact O-CB 3.37Å; A71-S75 PolarHBondContact O-N 2.85Å; L72-S75 PolarHBondContact O-N 2.71Å; S75-R77 VanDerWaalsContact C-N 3.34Å; S75-R77 PolarHBondContact O-N 3.45Å; S75-T78 PolarHBondContact O-N 3.38Å; S75-T78 PolarHBondContact O-OG1 3.2Å; S75-L79 WeakPolarHBondContact O-CG 3.13Å; S75-L79 PolarHBondContact O-N 3.27Å |
| 76 | T | 52.4 | Low | 55 | Low | 30 Ų | 30 | 87.9 Ų | 87.9 | 18% | 0.184 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 175.8 | 42.1 | 0 | 0 | 0 | 0 | 112.1 | L72 M73 T78 L79 Q84 | L72-T76 WeakPolarHBondContact O-CB 3.42Å; L72-T76 WeakPolarHBondContact O-CG2 3.46Å; L72-T76 PolarHBondContact O-N 3.36Å; L72-T76 PolarHBondContact O-OG1 3.42Å; M73-T76 VanDerWaalsContact CA-OG1 3.26Å; M73-T76 WeakPolarHBondContact CA-OG1 3.18Å; M73-T76 PolarHBondContact O-OG1 3.23Å; T76-T78 PolarHBondContact O-N 3.2Å; T76-T78 VanDerWaalsContact O-N 3.16Å; T76-L79 PolarHBondContact O-N 3.31Å; T76-Q84 HydrophobicContact CG2-CG 4.47Å; T76-Q84 WeakPolarHBondContact O-CG 3.38Å; T76-Q84 PolarHBondContact O-NE2 3.16Å |
| 77 | R | 53 | Low | 54 | Low | 198 Ų | 198 | 85.4 Ų | 85.4 | 75% | 0.747 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.4 | -25.6 | 172.4 | -80.6 | 179.3 | 175 | 178.8 | -0.1 | 114.3 | M73 E74 S75 | M73-R77 WeakPolarHBondContact O-CG 3.33Å; M73-R77 PolarHBondContact O-N 3.13Å; M73-R77 VanDerWaalsContact O-N 3.11Å; E74-R77 PolarHBondContact O-N 3.21Å; S75-R77 VanDerWaalsContact C-N 3.34Å; S75-R77 PolarHBondContact O-N 3.45Å |
| 78 | T | 51.7 | Low | 53.2 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -92.2 | -6.4 | 175.8 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | Y38 E74 S75 T76 | Y38-T78 WeakPolarHBondContact OH-CG2 3.36Å; Y38-T78 PolarHBondContact OH-OG1 2.76Å; E74-T78 PolarHBondContact O-N 3.13Å; S75-T78 PolarHBondContact O-N 3.38Å; S75-T78 PolarHBondContact O-OG1 3.2Å; T76-T78 PolarHBondContact O-N 3.2Å; T76-T78 VanDerWaalsContact O-N 3.16Å |
| 79 | L | 45.4 | Very low | 52.3 | Low | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -90.1 | 137 | 177.8 | -72.5 | 171 | 0 | 0 | 0 | 110.3 | S75 T76 V81 A83 Q84 | S75-L79 WeakPolarHBondContact O-CG 3.13Å; S75-L79 PolarHBondContact O-N 3.27Å; T76-L79 PolarHBondContact O-N 3.31Å; L79-V81 PolarHBondContact O-N 3.31Å; L79-A83 HydrophobicContact CB-CB 3.99Å; L79-A83 HydrophobicContact CD1-CB 4.46Å; L79-A83 HydrophobicContact CD2-CB 4.19Å; L79-A83 HydrophobicContact CG-CB 4.44Å; L79-Q84 HydrophobicContact CB-CG 4.19Å; L79-Q84 PolarHBondContact O-NE2 3.23Å |
| 80 | P | 46.2 | Very low | 51.7 | Low | 88 Ų | 88 | 87 Ų | 87 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | trans | -54.6 | 141.8 | 171.1 | 23.1 | -31.1 | 0 | 0 | 0 | 109 | T82 A83 Q84 | P80-T82 PolarHBondContact O-N 3.09Å; P80-A83 HydrophobicContact CG-CB 4.35Å; P80-A83 PolarHBondContact O-N 3.16Å; P80-Q84 PolarHBondContact O-N 3.29Å | ||
| 81 | V | 50.8 | Low | 51 | Low | 107 Ų | 107 | 83.5 Ų | 83.5 | 65% | 0.648 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -46.4 | -30.6 | -170.2 | 177.4 | 0 | 0 | 0 | 0 | 113.9 | L79 Q84 L85 | L79-V81 PolarHBondContact O-N 3.31Å; V81-Q84 PolarHBondContact O-N 3.29Å; V81-L85 PolarHBondContact O-N 3.43Å |
| 82 | T | 46.8 | Very low | 50.5 | Low | 102 Ų | 102 | 87.9 Ų | 87.9 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.3 | -29.2 | 175.7 | 40.1 | 0 | 0 | 0 | 0 | 115 | P80 I86 | P80-T82 PolarHBondContact O-N 3.09Å; T82-I86 WeakPolarHBondContact O-CD1 3.16Å; T82-I86 WeakPolarHBondContact O-CG1 3.4Å |
| 83 | A | 46.4 | Very low | 50 | Low | 32 Ų | 32 | 89.5 Ų | 89.5 | 26% | 0.264 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -85.3 | -17.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | L79 P80 G87 | L79-A83 HydrophobicContact CB-CB 3.99Å; L79-A83 HydrophobicContact CD1-CB 4.46Å; L79-A83 HydrophobicContact CD2-CB 4.19Å; L79-A83 HydrophobicContact CG-CB 4.44Å; P80-A83 HydrophobicContact CG-CB 4.35Å; P80-A83 PolarHBondContact O-N 3.16Å; A83-G87 PolarHBondContact O-N 2.92Å |
| 84 | Q | 40.8 | Very low | 49.6 | Very low | 56 Ų | 56 | 87.7 Ų | 87.7 | 26% | 0.262 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.6 | -44.6 | 171.8 | -65.8 | 179.5 | 30.2 | 0 | 0 | 110.8 | T76 L79 P80 V81 I86 G87 E88 | T76-Q84 HydrophobicContact CG2-CG 4.47Å; T76-Q84 WeakPolarHBondContact O-CG 3.38Å; T76-Q84 PolarHBondContact O-NE2 3.16Å; L79-Q84 HydrophobicContact CB-CG 4.19Å; L79-Q84 PolarHBondContact O-NE2 3.23Å; P80-Q84 PolarHBondContact O-N 3.29Å; V81-Q84 PolarHBondContact O-N 3.29Å; Q84-I86 PolarHBondContact O-N 3.41Å; Q84-G87 PolarHBondContact O-N 2.94Å; Q84-E88 PolarHBondContact O-N 3.36Å |
| 85 | L | 46.4 | Very low | 49.3 | Very low | 113 Ų | 113 | 88.2 Ų | 88.2 | 59% | 0.592 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 177.9 | -72.5 | 163.9 | 0 | 0 | 0 | 113.1 | V81 G87 E89 | V81-L85 PolarHBondContact O-N 3.43Å; L85-G87 VanDerWaalsContact C-N 3.32Å; L85-E89 PolarHBondContact O-N 3.02Å |
| 86 | I | 46 | Very low | 49.1 | Very low | 125 Ų | 125 | 91.2 Ų | 91.2 | 64% | 0.641 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -73.6 | -28.3 | 177.8 | -61 | 169.8 | 0 | 0 | 0 | 111.1 | T82 Q84 S90 | T82-I86 WeakPolarHBondContact O-CD1 3.16Å; T82-I86 WeakPolarHBondContact O-CG1 3.4Å; Q84-I86 PolarHBondContact O-N 3.41Å; I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.28Å; I86-S90 PolarHBondContact O-N 3.49Å |
| 87 | G | 46.3 | Very low | 49 | Very low | 24 Ų | 24 | 96.3 Ų | 96.3 | 25% | 0.247 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -75.7 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | A83 Q84 L85 S91 | A83-G87 PolarHBondContact O-N 2.92Å; Q84-G87 PolarHBondContact O-N 2.94Å; L85-G87 VanDerWaalsContact C-N 3.32Å; G87-S91 VanDerWaalsContact O-CB 3.24Å; G87-S91 WeakPolarHBondContact O-CB 3.46Å; G87-S91 PolarHBondContact O-N 2.94Å; G87-S91 PolarHBondContact O-OG 3.35Å |
| 88 | E | 48.9 | Very low | 48.9 | Very low | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -46.6 | 178.6 | -76.5 | 178.4 | 137.5 | 0 | 0 | 111.6 | Q84 S90 S91 E92 | Q84-E88 PolarHBondContact O-N 3.36Å; E88-S90 PolarHBondContact O-N 3.42Å; E88-S91 PolarHBondContact O-N 3.34Å; E88-E92 PolarHBondContact O-N 3.47Å |
| 89 | E | 46.9 | Very low | 48.9 | Very low | 146 Ų | 146 | 95.1 Ų | 95.1 | 68% | 0.682 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -39.4 | 179.4 | -165.7 | 175.9 | 174.6 | 0 | 0 | 112.2 | L85 | L85-E89 PolarHBondContact O-N 3.02Å |
| 90 | S | 51.2 | Low | 49.1 | Very low | 62 Ų | 62 | 97.1 Ų | 97.1 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.3 | -30.3 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 113.3 | I86 E88 L94 | I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.28Å; I86-S90 PolarHBondContact O-N 3.49Å; E88-S90 PolarHBondContact O-N 3.42Å; S90-L94 WeakPolarHBondContact O-CB 3.33Å; S90-L94 PolarHBondContact O-N 3.38Å; S90-L94 VanDerWaalsContact O-N 3.15Å |
| 91 | S | 50.9 | Low | 49.2 | Very low | 39 Ų | 39 | 101 Ų | 101 | 27% | 0.273 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.1 | -39.6 | -175.7 | -60.4 | 0 | 0 | 0 | 0 | 112.3 | G87 E88 I95 | G87-S91 VanDerWaalsContact O-CB 3.24Å; G87-S91 WeakPolarHBondContact O-CB 3.46Å; G87-S91 PolarHBondContact O-N 2.94Å; G87-S91 PolarHBondContact O-OG 3.35Å; E88-S91 PolarHBondContact O-N 3.34Å; S91-I95 WeakPolarHBondContact O-CB 3.2Å; S91-I95 VanDerWaalsContact O-CD1 3.3Å; S91-I95 WeakPolarHBondContact O-CD1 3.19Å; S91-I95 WeakPolarHBondContact O-CG1 3.43Å; S91-I95 PolarHBondContact O-N 2.88Å; S91-I95 VanDerWaalsContact O-N 3.1Å |
| 92 | E | 50.4 | Low | 49.3 | Very low | 141 Ų | 141 | 102.3 Ų | 102.3 | 66% | 0.659 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.6 | -41.8 | 178.8 | -64.8 | -170.8 | 135.3 | 0 | 0 | 111.3 | E88 I95 L96 | E88-E92 PolarHBondContact O-N 3.47Å; E92-I95 PolarHBondContact O-N 3.46Å; E92-L96 WeakPolarHBondContact O-CG 3.15Å; E92-L96 PolarHBondContact O-N 2.59Å |
| 93 | D | 52 | Low | 49.4 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 176.5 | -97.8 | -29.3 | 0 | 0 | 0 | 112.9 | I95 Q97 | D93-I95 VanDerWaalsContact C-N 3.33Å; D93-I95 PolarHBondContact O-N 3.15Å; D93-Q97 WeakPolarHBondContact O-CB 3.37Å; D93-Q97 PolarHBondContact O-N 3.05Å |
| 94 | L | 53.3 | Low | 49.4 | Very low | 73 Ų | 73 | 107.3 Ų | 107.3 | 38% | 0.382 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.6 | -29.2 | 177.7 | -93.6 | 156.8 | 0 | 0 | 0 | 113.1 | S90 R98 | S90-L94 WeakPolarHBondContact O-CB 3.33Å; S90-L94 PolarHBondContact O-N 3.38Å; S90-L94 VanDerWaalsContact O-N 3.15Å; L94-R98 WeakPolarHBondContact O-CB 3.24Å; L94-R98 WeakPolarHBondContact O-CD 3.46Å; L94-R98 WeakPolarHBondContact O-CG 3.34Å; L94-R98 PolarHBondContact O-N 3.1Å |
| 95 | I | 53.4 | Low | 49.4 | Very low | 99 Ų | 99 | 117 Ų | 117 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.3 | -47.9 | 176.7 | -69.3 | 166.4 | 0 | 0 | 0 | 109.7 | S91 E92 D93 Q97 R98 V99 | S91-I95 WeakPolarHBondContact O-CB 3.2Å; S91-I95 VanDerWaalsContact O-CD1 3.3Å; S91-I95 WeakPolarHBondContact O-CD1 3.19Å; S91-I95 WeakPolarHBondContact O-CG1 3.43Å; S91-I95 PolarHBondContact O-N 2.88Å; S91-I95 VanDerWaalsContact O-N 3.1Å; E92-I95 PolarHBondContact O-N 3.46Å; D93-I95 VanDerWaalsContact C-N 3.33Å; D93-I95 PolarHBondContact O-N 3.15Å; I95-Q97 VanDerWaalsContact C-N 3.35Å; I95-Q97 PolarHBondContact O-N 3.46Å; I95-R98 PolarHBondContact O-N 3.34Å; I95-R98 VanDerWaalsContact O-N 3.16Å; I95-V99 WeakPolarHBondContact O-CG2 3.24Å; I95-V99 PolarHBondContact O-N 3.2Å |
| 96 | L | 52.2 | Low | 49.6 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.4 | -44.4 | 176.5 | -72.5 | 168.5 | 0 | 0 | 0 | 111.8 | E92 R98 V99 D100 | E92-L96 WeakPolarHBondContact O-CG 3.15Å; E92-L96 PolarHBondContact O-N 2.59Å; L96-R98 PolarHBondContact O-N 2.97Å; L96-V99 PolarHBondContact O-N 3.37Å; L96-D100 PolarHBondContact O-N 3.45Å; L96-D100 VanDerWaalsContact O-N 3.13Å |
| 97 | Q | 49.3 | Very low | 49.7 | Very low | 138 Ų | 138 | 116.7 Ų | 116.7 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.8 | -22.3 | 180 | -158.9 | -179.9 | 56.8 | 0 | 0 | 113.5 | D93 I95 | D93-Q97 WeakPolarHBondContact O-CB 3.37Å; D93-Q97 PolarHBondContact O-N 3.05Å; I95-Q97 VanDerWaalsContact C-N 3.35Å; I95-Q97 PolarHBondContact O-N 3.46Å |
| 98 | R | 52.2 | Low | 49.9 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -87.5 | -31.8 | 175.7 | -74.7 | 177.5 | -172 | -152.3 | 4 | 112.5 | L94 I95 L96 K101 I102 | L94-R98 WeakPolarHBondContact O-CB 3.24Å; L94-R98 WeakPolarHBondContact O-CD 3.46Å; L94-R98 WeakPolarHBondContact O-CG 3.34Å; L94-R98 PolarHBondContact O-N 3.1Å; I95-R98 PolarHBondContact O-N 3.34Å; I95-R98 VanDerWaalsContact O-N 3.16Å; L96-R98 PolarHBondContact O-N 2.97Å; R98-K101 PolarHBondContact O-N 3.24Å; R98-I102 WeakPolarHBondContact O-CD1 3.44Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 2.86Å |
| 99 | V | 50.5 | Low | 50 | Low | 81 Ų | 81 | 122.1 Ų | 122.1 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.9 | -40.1 | 173.5 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | I95 L96 K101 I102 S103 | I95-V99 WeakPolarHBondContact O-CG2 3.24Å; I95-V99 PolarHBondContact O-N 3.2Å; L96-V99 PolarHBondContact O-N 3.37Å; V99-K101 VanDerWaalsContact C-N 3.29Å; V99-K101 PolarHBondContact O-N 3.49Å; V99-I102 PolarHBondContact O-N 2.85Å; V99-S103 PolarHBondContact O-N 3.03Å; V99-S103 VanDerWaalsContact O-N 3.13Å; V99-S103 PolarHBondContact O-OG 3.38Å |
| 100 | D | 50.9 | Low | 50.2 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 58% | 0.578 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.2 | -33.7 | 174.8 | -82.6 | -15.6 | 0 | 0 | 0 | 112.7 | L96 I102 | L96-D100 PolarHBondContact O-N 3.45Å; L96-D100 VanDerWaalsContact O-N 3.13Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 2.75Å |
| 101 | K | 48.1 | Very low | 50.1 | Low | 171 Ų | 171 | 124.5 Ų | 124.5 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.6 | -21.2 | 178.2 | -119.7 | 175.9 | -176.1 | 172.1 | 0 | 113.7 | R98 V99 | R98-K101 PolarHBondContact O-N 3.24Å; V99-K101 VanDerWaalsContact C-N 3.29Å; V99-K101 PolarHBondContact O-N 3.49Å |
| 102 | I | 52.4 | Low | 50.1 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 68% | 0.682 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -90.3 | -26.5 | 178.6 | -65.7 | 166.2 | 0 | 0 | 0 | 110.7 | R98 V99 D100 L104 | R98-I102 WeakPolarHBondContact O-CD1 3.44Å; R98-I102 WeakPolarHBondContact O-CG1 3.48Å; R98-I102 PolarHBondContact O-N 2.86Å; V99-I102 PolarHBondContact O-N 2.85Å; D100-I102 VanDerWaalsContact C-N 3.3Å; D100-I102 PolarHBondContact O-N 2.75Å; I102-L104 VanDerWaalsContact C-N 3.35Å |
| 103 | S | 50.2 | Low | 50 | Low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 0.3 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | V99 | V99-S103 PolarHBondContact O-N 3.03Å; V99-S103 VanDerWaalsContact O-N 3.13Å; V99-S103 PolarHBondContact O-OG 3.38Å |
| 104 | L | 45.6 | Very low | 49.9 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 20.3 | -175.7 | -94.4 | 158.8 | 0 | 0 | 0 | 114.4 | I102 | I102-L104 VanDerWaalsContact C-N 3.35Š|
| 105 | K | 40.8 | Very low | 49.6 | Very low | 258 Ų | 258 | 137 Ų | 137 | 100% | 1.122 | 67% | 0.673 | S | S | * | * | trans | -142.8 | 0 | 176.3 | -116 | -175.6 | 179.8 | 179.7 | 0 | 112.3 |
Retrieved 105 of 105 residues in 17.3 ms
(Link to these results)