| 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 | 29.2 | Very low | 37.7 | Very low | 246 Ų | 246 | 159.8 Ų | 159.8 | 100% | 1.212 | 85% | 0.852 | S | S | * | * | 0 | 62 | 0 | -72.1 | 172.9 | 156.6 | 0 | 0 | 111.1 | |||||
| 2 | V | 35.7 | Very low | 37.9 | Very low | 147 Ų | 147 | 158.2 Ų | 158.2 | 89% | 0.891 | 84% | 0.844 | S | S | * | * | trans | -140 | 83.9 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 106.5 | R4 | V2-R4 PolarHBondContact O-N 2.87Š| ||
| 3 | G | 35.3 | Very low | 39 | Very low | 67 Ų | 67 | 156.9 Ų | 156.9 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | -75.6 | 110.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L5 | G3-L5 PolarHBondContact O-N 3.3Š| ||
| 4 | R | 34.1 | Very low | 39.8 | Very low | 256 Ų | 256 | 152.6 Ų | 152.6 | 97% | 0.966 | 82% | 0.82 | S | S | * | * | trans | -3.7 | 99.4 | 160.6 | -68.1 | 176.2 | 171.1 | 153.5 | -3.2 | 115.5 | V2 | V2-R4 PolarHBondContact O-N 2.87Š| ||
| 5 | L | 37.4 | Very low | 40.7 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | trans | -109.4 | 13.8 | 177.5 | -99.4 | 166.5 | 0 | 0 | 0 | 114.6 | G3 | G3-L5 PolarHBondContact O-N 3.3Š| ||
| 6 | R | 36.4 | Very low | 41.1 | Very low | 222 Ų | 222 | 147.8 Ų | 147.8 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -131.1 | 65.2 | -171 | -75.5 | -169.8 | 177.1 | 164.1 | -1 | 115.1 | ||||
| 7 | L | 38.9 | Very low | 41.6 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -143.5 | 23.6 | 167.8 | -107.6 | 159.3 | 0 | 0 | 0 | 113.6 | ||
| 8 | A | 46.3 | Very low | 41.8 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -115.4 | 6.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G10 | A8-G10 VanDerWaalsContact C-N 3.28Å; A8-G10 PolarHBondContact O-N 3.21Å | ||
| 9 | E | 39.9 | Very low | 42.1 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 1.5 | 179.4 | -74.3 | -169.7 | 119.7 | 0 | 0 | 114.5 | ||
| 10 | G | 38.2 | Very low | 42.3 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -9.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117 | A8 N12 | A8-G10 VanDerWaalsContact C-N 3.28Å; A8-G10 PolarHBondContact O-N 3.21Å; G10-N12 PolarHBondContact O-N 3.33Å; G10-N12 VanDerWaalsContact O-N 3.1Å |
| 11 | L | 43 | Very low | 42.2 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -89.5 | 87.2 | -174.2 | -77.1 | 162.5 | 0 | 0 | 0 | 110.4 | I13 | L11-I13 PolarHBondContact O-N 3.14Š|
| 12 | N | 40.8 | Very low | 42.7 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -25.2 | 116.6 | 162.4 | -98.9 | -65.3 | 0 | 0 | 0 | 112.3 | G10 P14 | G10-N12 PolarHBondContact O-N 3.33Å; G10-N12 VanDerWaalsContact O-N 3.1Å; N12-P14 VanDerWaalsContact O-CD 3.3Å; N12-P14 WeakPolarHBondContact O-CD 3.45Å | ||
| 13 | I | 52.4 | Low | 43.2 | Very low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -1.2 | -166.7 | -67.6 | 168.1 | 0 | 0 | 0 | 116.6 | L11 S15 | L11-I13 PolarHBondContact O-N 3.14Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3.43Å |
| 14 | P | 50 | Low | 43.5 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.2 | -17 | 179.3 | 25.3 | -26.4 | 0 | 0 | 0 | 114.9 | N12 F16 | N12-P14 VanDerWaalsContact O-CD 3.3Å; N12-P14 WeakPolarHBondContact O-CD 3.45Å; P14-F16 PolarHBondContact O-N 3.26Å |
| 15 | S | 52.3 | Low | 43.6 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.1 | -30.2 | -177.3 | -52.7 | 0 | 0 | 0 | 0 | 114.2 | I13 L19 | I13-S15 VanDerWaalsContact C-N 3.34Å; I13-S15 PolarHBondContact O-N 3.43Å; S15-L19 WeakPolarHBondContact O-CG 3.33Å; S15-L19 PolarHBondContact O-N 3Å |
| 16 | F | 47.4 | Very low | 43.7 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -78.4 | -30.1 | -177.8 | -82.3 | -84.4 | 0 | 0 | 0 | 113.3 | P14 L19 A20 | P14-F16 PolarHBondContact O-N 3.26Å; F16-L19 PolarHBondContact O-N 3.35Å; F16-A20 WeakPolarHBondContact O-CB 3.41Å; F16-A20 PolarHBondContact O-N 3.48Å |
| 17 | L | 49.1 | Very low | 43.9 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.6 | -41.4 | 176.5 | -145.6 | 88 | 0 | 0 | 0 | 110.7 | A20 H21 | L17-A20 PolarHBondContact O-N 2.84Å; L17-H21 PolarHBondContact O-N 2.94Å |
| 18 | G | 46.3 | Very low | 44 | Very low | 42 Ų | 42 | 115.6 Ų | 115.6 | 43% | 0.433 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -63.4 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H21 Q22 | G18-H21 PolarHBondContact O-N 3.37Å; G18-Q22 PolarHBondContact O-N 3.46Å |
| 19 | L | 48.1 | Very low | 44.1 | Very low | 83 Ų | 83 | 116.4 Ų | 116.4 | 44% | 0.435 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 175.1 | -72.8 | 168.5 | 0 | 0 | 0 | 111.8 | S15 F16 H21 Q22 F23 | S15-L19 WeakPolarHBondContact O-CG 3.33Å; S15-L19 PolarHBondContact O-N 3Å; F16-L19 PolarHBondContact O-N 3.35Å; L19-H21 VanDerWaalsContact C-N 3.28Å; L19-H21 PolarHBondContact O-N 3.23Å; L19-Q22 PolarHBondContact O-N 2.83Å; L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.34Å; L19-F23 PolarHBondContact O-N 2.9Å |
| 20 | A | 45.5 | Very low | 44.4 | Very low | 46 Ų | 46 | 112.8 Ų | 112.8 | 38% | 0.38 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.5 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F16 L17 S24 | F16-A20 WeakPolarHBondContact O-CB 3.41Å; F16-A20 PolarHBondContact O-N 3.48Å; L17-A20 PolarHBondContact O-N 2.84Å; A20-S24 PolarHBondContact O-N 2.82Å |
| 21 | H | 39.2 | Very low | 44.9 | Very low | 140 Ų | 140 | 116.2 Ų | 116.2 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.8 | -40 | 175.5 | -163.6 | -99.7 | 0 | 0 | 0 | 112.2 | L17 G18 L19 F23 S24 | L17-H21 PolarHBondContact O-N 2.94Å; G18-H21 PolarHBondContact O-N 3.37Å; L19-H21 VanDerWaalsContact C-N 3.28Å; L19-H21 PolarHBondContact O-N 3.23Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 3.41Å; H21-S24 PolarHBondContact O-N 3.49Å |
| 22 | Q | 40.8 | Very low | 45.4 | Very low | 139 Ų | 139 | 112.9 Ų | 112.9 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.2 | -38.7 | 172.9 | -94.6 | -179.8 | -5.9 | 0 | 0 | 112.4 | G18 L19 S24 V25 | G18-Q22 PolarHBondContact O-N 3.46Å; L19-Q22 PolarHBondContact O-N 2.83Å; Q22-S24 PolarHBondContact O-N 3.26Å; Q22-V25 PolarHBondContact O-N 3.24Å |
| 23 | F | 46 | Very low | 45.8 | Very low | 123 Ų | 123 | 111.3 Ų | 111.3 | 54% | 0.539 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -11.9 | 177.7 | -88.3 | -76.1 | 0 | 0 | 0 | 114.1 | L19 H21 | L19-F23 VanDerWaalsContact O-CD2 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.34Å; L19-F23 PolarHBondContact O-N 2.9Å; H21-F23 VanDerWaalsContact C-N 3.33Å; H21-F23 PolarHBondContact O-N 3.41Å |
| 24 | S | 40.6 | Very low | 45.7 | Very low | 95 Ų | 95 | 108.3 Ų | 108.3 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -10 | 176.8 | -160.1 | 0 | 0 | 0 | 0 | 113.8 | A20 H21 Q22 | A20-S24 PolarHBondContact O-N 2.82Å; H21-S24 PolarHBondContact O-N 3.49Å; Q22-S24 PolarHBondContact O-N 3.26Å |
| 25 | V | 36.8 | Very low | 45.8 | Very low | 107 Ų | 107 | 109.3 Ų | 109.3 | 65% | 0.648 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -17.5 | -174.2 | -176.3 | 0 | 0 | 0 | 0 | 113.7 | Q22 K27 | Q22-V25 PolarHBondContact O-N 3.24Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 PolarHBondContact O-N 2.85Å |
| 26 | S | 40.4 | Very low | 45.7 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 62% | 0.622 | 61% | 0.612 | S | S | * | * | trans | -78.9 | 82.3 | 169.4 | -82.3 | 0 | 0 | 0 | 0 | 111.1 | D28 | S26-D28 PolarHBondContact O-N 3.39Š| ||
| 27 | K | 40.8 | Very low | 45.7 | Very low | 194 Ų | 194 | 110.3 Ų | 110.3 | 84% | 0.843 | 59% | 0.594 | S | S | * | * | trans | -82.1 | 12.7 | 169.5 | -101.7 | -165.6 | 178.2 | -179.7 | 0 | 114.1 | V25 | V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 PolarHBondContact O-N 2.85Å | ||
| 28 | D | 39.6 | Very low | 45.5 | Very low | 141 Ų | 141 | 107.5 Ų | 107.5 | 75% | 0.754 | 59% | 0.586 | S | S | * | * | trans | -115.8 | 58.5 | 177.9 | -52.2 | -65.4 | 0 | 0 | 0 | 109.6 | S26 D30 | S26-D28 PolarHBondContact O-N 3.39Å; D28-D30 VanDerWaalsContact C-N 3.29Å; D28-D30 PolarHBondContact O-N 3.2Å; D28-D30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | V | 49.8 | Very low | 46.1 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 61% | 0.606 | 60% | 0.603 | S | S | * | * | trans | -80.2 | 92 | 163.7 | 178.9 | 0 | 0 | 0 | 0 | 106.1 | L31 V34 | V29-L31 PolarHBondContact O-N 3.32Å; V29-V34 HydrophobicContact CG1-CG2 3.91Å | ||
| 30 | D | 44.4 | Very low | 46.3 | Very low | 112 Ų | 112 | 114 Ų | 114 | 60% | 0.599 | 61% | 0.606 | S | S | * | * | trans | -40.4 | 107.7 | 169.4 | -94.9 | -61.7 | 0 | 0 | 0 | 110.4 | D28 S32 L33 | D28-D30 VanDerWaalsContact C-N 3.29Å; D28-D30 PolarHBondContact O-N 3.2Å; D28-D30 VanDerWaalsContact O-N 3.14Å; D30-S32 PolarHBondContact O-N 3.24Å; D30-L33 WeakPolarHBondContact O-CB 3.34Å; D30-L33 PolarHBondContact O-N 2.87Å | ||
| 31 | L | 50.6 | Low | 46.8 | Very low | 138 Ų | 138 | 120.5 Ų | 120.5 | 72% | 0.723 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -53 | -29 | 176.7 | -103.5 | 76.9 | 0 | 0 | 0 | 111.5 | V29 L33 V34 D35 | V29-L31 PolarHBondContact O-N 3.32Å; L31-L33 VanDerWaalsContact C-N 3.26Å; L31-L33 PolarHBondContact O-N 3.47Å; L31-V34 WeakPolarHBondContact O-CB 3.4Å; L31-V34 PolarHBondContact O-N 3.48Å; L31-V34 VanDerWaalsContact O-N 3.12Å; L31-D35 PolarHBondContact O-N 3.2Å |
| 32 | S | 53 | Low | 47.7 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.6 | -31.7 | 177.4 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | D30 R36 | D30-S32 PolarHBondContact O-N 3.24Å; S32-R36 PolarHBondContact O-N 2.89Å |
| 33 | L | 49.3 | Very low | 48.2 | Very low | 107 Ų | 107 | 117 Ų | 117 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.7 | -37.2 | 175.3 | -149.7 | 99.8 | 0 | 0 | 0 | 110.6 | D30 L31 D35 R36 L37 | D30-L33 WeakPolarHBondContact O-CB 3.34Å; D30-L33 PolarHBondContact O-N 2.87Å; L31-L33 VanDerWaalsContact C-N 3.26Å; L31-L33 PolarHBondContact O-N 3.47Å; L33-D35 VanDerWaalsContact C-N 3.34Å; L33-R36 PolarHBondContact O-N 3.41Å; L33-L37 HydrophobicContact CD2-CD1 3.82Å; L33-L37 HydrophobicContact CG-CD1 4.28Å; L33-L37 VanDerWaalsContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CB 3.5Å; L33-L37 WeakPolarHBondContact O-CD1 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.11Å; L33-L37 PolarHBondContact O-N 3.4Å |
| 34 | V | 49.2 | Very low | 48.5 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 49% | 0.485 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64 | -41 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | V29 L31 L37 C38 | V29-V34 HydrophobicContact CG1-CG2 3.91Å; L31-V34 WeakPolarHBondContact O-CB 3.4Å; L31-V34 PolarHBondContact O-N 3.48Å; L31-V34 VanDerWaalsContact O-N 3.12Å; V34-L37 PolarHBondContact O-N 2.85Å; V34-C38 WeakPolarHBondContact O-CB 3.47Å; V34-C38 PolarHBondContact O-N 3.01Å |
| 35 | D | 52.5 | Low | 49.1 | Very low | 118 Ų | 118 | 112 Ų | 112 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.7 | -46.6 | 175.3 | -110.7 | -64.6 | 0 | 0 | 0 | 112.1 | L31 L33 L37 C38 Q39 | L31-D35 PolarHBondContact O-N 3.2Å; L33-D35 VanDerWaalsContact C-N 3.34Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 2.8Å; D35-C38 PolarHBondContact O-N 3.36Å; D35-Q39 PolarHBondContact O-N 2.98Å |
| 36 | R | 49.9 | Very low | 49.9 | Very low | 195 Ų | 195 | 110.2 Ų | 110.2 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -35.4 | 175.4 | -76.9 | -175.5 | 178.6 | -167.2 | 1.1 | 112.9 | S32 L33 | S32-R36 PolarHBondContact O-N 2.89Å; L33-R36 PolarHBondContact O-N 3.41Å |
| 37 | L | 47.4 | Very low | 50.7 | Low | 53 Ų | 53 | 110.3 Ų | 110.3 | 28% | 0.277 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.1 | -30.7 | 177 | -70.9 | 171.1 | 0 | 0 | 0 | 111.9 | L33 V34 D35 N40 L43 | L33-L37 HydrophobicContact CD2-CD1 3.82Å; L33-L37 HydrophobicContact CG-CD1 4.28Å; L33-L37 VanDerWaalsContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CB 3.5Å; L33-L37 WeakPolarHBondContact O-CD1 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.11Å; L33-L37 PolarHBondContact O-N 3.4Å; V34-L37 PolarHBondContact O-N 2.85Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 2.8Å; L37-N40 PolarHBondContact O-N 3.12Å; L37-L43 HydrophobicContact CD2-CB 4.49Å; L37-L43 HydrophobicContact CD2-CD1 3.53Å; L37-L43 HydrophobicContact CD2-CD2 4.45Å; L37-L43 HydrophobicContact CD2-CG 4.36Å |
| 38 | C | 45.9 | Very low | 51.6 | Low | 85 Ų | 85 | 110 Ų | 110 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.5 | -33.7 | 177.4 | -161.1 | 0 | 0 | 0 | 0 | 112.4 | V34 D35 N40 | V34-C38 WeakPolarHBondContact O-CB 3.47Å; V34-C38 PolarHBondContact O-N 3.01Å; D35-C38 PolarHBondContact O-N 3.36Å; C38-N40 PolarHBondContact O-N 3.38Å |
| 39 | Q | 57.7 | Low | 52.5 | Low | 167 Ų | 167 | 109.7 Ų | 109.7 | 78% | 0.78 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.8 | -27.7 | 171.7 | -89.9 | -178.3 | -20.1 | 0 | 0 | 112.7 | D35 K41 | D35-Q39 PolarHBondContact O-N 2.98Å; Q39-K41 PolarHBondContact O-N 3.33Å |
| 40 | N | 53.9 | Low | 52.9 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -89.3 | 88.8 | 171.9 | -76.2 | -24.8 | 0 | 0 | 0 | 110.3 | L37 C38 I42 L43 S44 | L37-N40 PolarHBondContact O-N 3.12Å; C38-N40 PolarHBondContact O-N 3.38Å; N40-I42 PolarHBondContact O-N 3.1Å; N40-L43 HydrophobicContact CB-CB 4.25Å; N40-L43 HydrophobicContact CB-CD1 3.67Å; N40-L43 HydrophobicContact CB-CG 4.31Å; N40-L43 PolarHBondContact O-N 2.94Å; N40-S44 PolarHBondContact O-N 2.99Å |
| 41 | K | 54.8 | Low | 53.7 | Low | 181 Ų | 181 | 108 Ų | 108 | 79% | 0.787 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -45.6 | -25.9 | 176.2 | -78.3 | -179.2 | 176.8 | 176.6 | 0 | 115.2 | Q39 S44 | Q39-K41 PolarHBondContact O-N 3.33Å; K41-S44 PolarHBondContact O-OG 2.95Å |
| 42 | I | 57.6 | Low | 54 | Low | 140 Ų | 140 | 103 Ų | 103 | 72% | 0.718 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.6 | -40 | 177.4 | -61.6 | 167.7 | 0 | 0 | 0 | 111.1 | N40 S45 V46 | N40-I42 PolarHBondContact O-N 3.1Å; I42-S45 PolarHBondContact O-N 3.49Å; I42-V46 WeakPolarHBondContact O-CG2 3.1Å; I42-V46 PolarHBondContact O-N 2.89Å; I42-V46 VanDerWaalsContact O-N 3.14Å |
| 43 | L | 51.6 | Low | 54.2 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73 | -34.3 | -176.3 | -81.1 | 158.7 | 0 | 0 | 0 | 112.3 | L37 N40 S45 V46 L47 | L37-L43 HydrophobicContact CD2-CB 4.49Å; L37-L43 HydrophobicContact CD2-CD1 3.53Å; L37-L43 HydrophobicContact CD2-CD2 4.45Å; L37-L43 HydrophobicContact CD2-CG 4.36Å; N40-L43 HydrophobicContact CB-CB 4.25Å; N40-L43 HydrophobicContact CB-CD1 3.67Å; N40-L43 HydrophobicContact CB-CG 4.31Å; N40-L43 PolarHBondContact O-N 2.94Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.32Å; L43-V46 PolarHBondContact O-N 3.24Å; L43-L47 WeakPolarHBondContact O-CB 3.39Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.24Å |
| 44 | S | 53 | Low | 54.6 | Low | 37 Ų | 37 | 108.4 Ų | 108.4 | 26% | 0.259 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 172.9 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | N40 K41 V46 L47 Y48 | N40-S44 PolarHBondContact O-N 2.99Å; K41-S44 PolarHBondContact O-OG 2.95Å; S44-V46 PolarHBondContact O-N 3.41Å; S44-L47 PolarHBondContact O-N 3.05Å; S44-Y48 WeakPolarHBondContact O-CD2 3.27Å; S44-Y48 PolarHBondContact O-N 3.14Å |
| 45 | S | 52.7 | Low | 55.1 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.8 | -169 | 0 | 0 | 0 | 0 | 112.1 | I42 L43 L47 Y48 F49 | I42-S45 PolarHBondContact O-N 3.49Å; L43-S45 VanDerWaalsContact C-N 3.32Å; L43-S45 PolarHBondContact O-N 3.32Å; S45-L47 PolarHBondContact O-N 2.96Å; S45-Y48 PolarHBondContact O-N 3.44Å; S45-F49 WeakPolarHBondContact O-CB 3.16Å; S45-F49 PolarHBondContact O-N 3.4Å |
| 46 | V | 53.3 | Low | 55.5 | Low | 68 Ų | 68 | 109.4 Ų | 109.4 | 41% | 0.412 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | I42 L43 S44 F49 L50 | I42-V46 WeakPolarHBondContact O-CG2 3.1Å; I42-V46 PolarHBondContact O-N 2.89Å; I42-V46 VanDerWaalsContact O-N 3.14Å; L43-V46 PolarHBondContact O-N 3.24Å; S44-V46 PolarHBondContact O-N 3.41Å; V46-F49 PolarHBondContact O-N 3.46Å; V46-L50 HydrophobicContact CG1-CD1 3.67Å; V46-L50 HydrophobicContact CG1-CG 4.36Å; V46-L50 WeakPolarHBondContact O-CB 3.35Å; V46-L50 WeakPolarHBondContact O-CG 3.49Å; V46-L50 PolarHBondContact O-N 3.14Å |
| 47 | L | 57.5 | Low | 56.3 | Low | 92 Ų | 92 | 104.6 Ų | 104.6 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 176.2 | -75.3 | 170 | 0 | 0 | 0 | 111.9 | L43 S44 S45 F49 L50 C51 | L43-L47 WeakPolarHBondContact O-CB 3.39Å; L43-L47 WeakPolarHBondContact O-CG 3.46Å; L43-L47 PolarHBondContact O-N 3.24Å; S44-L47 PolarHBondContact O-N 3.05Å; S45-L47 PolarHBondContact O-N 2.96Å; L47-F49 VanDerWaalsContact C-N 3.32Å; L47-F49 PolarHBondContact O-N 3.34Å; L47-L50 PolarHBondContact O-N 3.27Å; L47-C51 WeakPolarHBondContact O-CB 3.43Å; L47-C51 PolarHBondContact O-N 2.99Å |
| 48 | Y | 59.7 | Low | 57.1 | Low | 188 Ų | 188 | 110.1 Ų | 110.1 | 74% | 0.737 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -41.1 | 173.3 | -82.8 | -71.6 | 0 | 0 | 0 | 111.6 | S44 S45 C51 G52 | S44-Y48 WeakPolarHBondContact O-CD2 3.27Å; S44-Y48 PolarHBondContact O-N 3.14Å; S45-Y48 PolarHBondContact O-N 3.44Å; Y48-C51 PolarHBondContact O-N 2.97Å; Y48-G52 PolarHBondContact O-N 3.49Å |
| 49 | F | 58 | Low | 57.9 | Low | 134 Ų | 134 | 111.3 Ų | 111.3 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.9 | -42.3 | 178.1 | -151.2 | -95.8 | 0 | 0 | 0 | 112.2 | S45 V46 L47 R53 | S45-F49 WeakPolarHBondContact O-CB 3.16Å; S45-F49 PolarHBondContact O-N 3.4Å; V46-F49 PolarHBondContact O-N 3.46Å; L47-F49 VanDerWaalsContact C-N 3.32Å; L47-F49 PolarHBondContact O-N 3.34Å; F49-R53 WeakPolarHBondContact O-CB 3.31Å; F49-R53 WeakPolarHBondContact O-CG 3.43Å; F49-R53 PolarHBondContact O-N 3.34Å |
| 50 | L | 58.2 | Low | 58.4 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.4 | -78.5 | 163.4 | 0 | 0 | 0 | 111.9 | V46 L47 R53 R54 | V46-L50 HydrophobicContact CG1-CD1 3.67Å; V46-L50 HydrophobicContact CG1-CG 4.36Å; V46-L50 WeakPolarHBondContact O-CB 3.35Å; V46-L50 WeakPolarHBondContact O-CG 3.49Å; V46-L50 PolarHBondContact O-N 3.14Å; L47-L50 PolarHBondContact O-N 3.27Å; L50-R53 PolarHBondContact O-N 3.33Å; L50-R54 PolarHBondContact O-N 2.96Å |
| 51 | C | 61.4 | Low | 59.2 | Low | 79 Ų | 79 | 105.8 Ų | 105.8 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 178.9 | -153.7 | 0 | 0 | 0 | 0 | 110.8 | L47 Y48 R53 R54 L55 | L47-C51 WeakPolarHBondContact O-CB 3.43Å; L47-C51 PolarHBondContact O-N 2.99Å; Y48-C51 PolarHBondContact O-N 2.97Å; C51-R53 VanDerWaalsContact C-N 3.33Å; C51-R53 PolarHBondContact O-N 3.44Å; C51-R54 PolarHBondContact O-N 3.32Å; C51-L55 WeakPolarHBondContact O-CB 3.44Å; C51-L55 PolarHBondContact O-N 3.36Å |
| 52 | G | 58 | Low | 59.9 | Low | 33 Ų | 33 | 100.8 Ų | 100.8 | 34% | 0.34 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y48 L55 L56 | Y48-G52 PolarHBondContact O-N 3.49Å; G52-L55 PolarHBondContact O-N 3.27Å; G52-L56 WeakPolarHBondContact O-CB 3.28Å; G52-L56 VanDerWaalsContact O-CG 3.27Å; G52-L56 WeakPolarHBondContact O-CG 3.3Å; G52-L56 PolarHBondContact O-N 3.39Å |
| 53 | R | 57.4 | Low | 60.4 | Low | 157 Ų | 157 | 96.8 Ų | 96.8 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -43 | 174.5 | -77.8 | -176.8 | 158 | -169.7 | -4.2 | 113 | F49 L50 C51 L55 L56 V57 | F49-R53 WeakPolarHBondContact O-CB 3.31Å; F49-R53 WeakPolarHBondContact O-CG 3.43Å; F49-R53 PolarHBondContact O-N 3.34Å; L50-R53 PolarHBondContact O-N 3.33Å; C51-R53 VanDerWaalsContact C-N 3.33Å; C51-R53 PolarHBondContact O-N 3.44Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.46Å; R53-L56 PolarHBondContact O-N 2.92Å; R53-V57 VanDerWaalsContact O-CG2 3.31Å; R53-V57 WeakPolarHBondContact O-CG2 3.47Å; R53-V57 PolarHBondContact O-N 3.34Å |
| 54 | R | 56.5 | Low | 61.2 | Low | 134 Ų | 134 | 97.4 Ų | 97.4 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.8 | -87.5 | -176.8 | 174.6 | -169 | -3.1 | 111.5 | L50 C51 R58 | L50-R54 PolarHBondContact O-N 2.96Å; C51-R54 PolarHBondContact O-N 3.32Å; R54-R58 PolarHBondContact O-N 3.41Å; R54-R58 VanDerWaalsContact O-N 3.14Å |
| 55 | L | 60.1 | Low | 61.8 | Low | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 177.8 | -145.9 | 94.9 | 0 | 0 | 0 | 111.1 | C51 G52 R53 V57 R58 L59 | C51-L55 WeakPolarHBondContact O-CB 3.44Å; C51-L55 PolarHBondContact O-N 3.36Å; G52-L55 PolarHBondContact O-N 3.27Å; R53-L55 VanDerWaalsContact C-N 3.3Å; R53-L55 PolarHBondContact O-N 3.46Å; L55-V57 PolarHBondContact O-N 3.01Å; L55-R58 PolarHBondContact O-N 3Å; L55-L59 PolarHBondContact O-N 3.32Å |
| 56 | L | 61.3 | Low | 62.6 | Low | 111 Ų | 111 | 106.9 Ų | 106.9 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 178.5 | -75.8 | 168.8 | 0 | 0 | 0 | 112.6 | G52 R53 L59 L60 | G52-L56 WeakPolarHBondContact O-CB 3.28Å; G52-L56 VanDerWaalsContact O-CG 3.27Å; G52-L56 WeakPolarHBondContact O-CG 3.3Å; G52-L56 PolarHBondContact O-N 3.39Å; R53-L56 PolarHBondContact O-N 2.92Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-L60 WeakPolarHBondContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.9Å |
| 57 | V | 66.5 | Low | 63.2 | Low | 93 Ų | 93 | 112.2 Ų | 112.2 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | R53 L55 L60 G61 | R53-V57 VanDerWaalsContact O-CG2 3.31Å; R53-V57 WeakPolarHBondContact O-CG2 3.47Å; R53-V57 PolarHBondContact O-N 3.34Å; L55-V57 PolarHBondContact O-N 3.01Å; V57-L60 PolarHBondContact O-N 2.98Å; V57-G61 PolarHBondContact O-N 3.38Å |
| 58 | R | 63.7 | Low | 63.8 | Low | 169 Ų | 169 | 116.1 Ų | 116.1 | 64% | 0.638 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.1 | -43.9 | 174.7 | -77.2 | -178.1 | 177.3 | 178.9 | -1.3 | 111.9 | R54 L55 G61 T62 | R54-R58 PolarHBondContact O-N 3.41Å; R54-R58 VanDerWaalsContact O-N 3.14Å; L55-R58 PolarHBondContact O-N 3Å; R58-G61 PolarHBondContact O-N 2.93Å; R58-T62 PolarHBondContact O-N 3.29Å; R58-T62 PolarHBondContact O-OG1 2.93Å |
| 59 | L | 63.7 | Low | 64.2 | Low | 111 Ų | 111 | 109.2 Ų | 109.2 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 178.6 | -117.2 | 131 | 0 | 0 | 0 | 112.4 | L55 L56 T62 A63 | L55-L59 PolarHBondContact O-N 3.32Å; L56-L59 PolarHBondContact O-N 3.49Å; L59-T62 PolarHBondContact O-OG1 3.38Å; L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 3.02Å |
| 60 | L | 68.4 | Low | 64.5 | Low | 114 Ų | 114 | 108.3 Ų | 108.3 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.4 | -42.2 | 173.8 | -80 | 161.8 | 0 | 0 | 0 | 111.5 | L56 V57 A63 V64 | L56-L60 WeakPolarHBondContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.9Å; V57-L60 PolarHBondContact O-N 2.98Å; L60-A63 PolarHBondContact O-N 3.01Å; L60-V64 VanDerWaalsContact O-CG2 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.18Å |
| 61 | G | 69.1 | Low | 64.8 | Low | 32 Ų | 32 | 106.2 Ų | 106.2 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V57 R58 A63 V64 H65 | V57-G61 PolarHBondContact O-N 3.38Å; R58-G61 PolarHBondContact O-N 2.93Å; G61-A63 PolarHBondContact O-N 3.47Å; G61-V64 PolarHBondContact O-N 3.06Å; G61-H65 PolarHBondContact O-CD2 3.32Å; G61-H65 PolarHBondContact O-N 3.19Å |
| 62 | T | 69.7 | Low | 65.2 | Low | 75 Ų | 75 | 105.8 Ų | 105.8 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 178.3 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | R58 L59 V64 H65 Y66 | R58-T62 PolarHBondContact O-N 3.29Å; R58-T62 PolarHBondContact O-OG1 2.93Å; L59-T62 PolarHBondContact O-OG1 3.38Å; T62-V64 VanDerWaalsContact C-N 3.33Å; T62-V64 PolarHBondContact O-N 3.14Å; T62-H65 PolarHBondContact O-N 2.91Å; T62-H65 VanDerWaalsContact O-N 3.14Å; T62-Y66 WeakPolarHBondContact O-CD2 3.34Å; T62-Y66 PolarHBondContact O-N 3.36Å |
| 63 | A | 68.9 | Low | 65.3 | Low | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.7 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L59 L60 G61 Y66 W67 | L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 3.02Å; L60-A63 PolarHBondContact O-N 3.01Å; G61-A63 PolarHBondContact O-N 3.47Å; A63-Y66 PolarHBondContact O-N 3Å; A63-W67 WeakPolarHBondContact O-CB 3.5Å; A63-W67 PolarHBondContact O-N 3.3Å |
| 64 | V | 68.6 | Low | 65.7 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | L60 G61 T62 W67 R68 | L60-V64 VanDerWaalsContact O-CG2 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.18Å; G61-V64 PolarHBondContact O-N 3.06Å; T62-V64 VanDerWaalsContact C-N 3.33Å; T62-V64 PolarHBondContact O-N 3.14Å; V64-W67 PolarHBondContact O-N 3.39Å; V64-R68 PolarHBondContact O-N 3Å |
| 65 | H | 65.8 | Low | 66.2 | Low | 142 Ų | 142 | 105.2 Ų | 105.2 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -44.5 | 174.1 | -84.7 | -79.4 | 0 | 0 | 0 | 112.1 | G61 T62 W67 R68 G69 | G61-H65 PolarHBondContact O-CD2 3.32Å; G61-H65 PolarHBondContact O-N 3.19Å; T62-H65 PolarHBondContact O-N 2.91Å; T62-H65 VanDerWaalsContact O-N 3.14Å; H65-W67 VanDerWaalsContact C-N 3.32Å; H65-W67 PolarHBondContact O-N 3.46Å; H65-R68 PolarHBondContact O-N 3.37Å; H65-G69 PolarHBondContact O-N 3Å |
| 66 | Y | 70 | Confident | 66.4 | Low | 173 Ų | 173 | 106.2 Ų | 106.2 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.5 | -42 | 174.4 | -84.1 | -75.8 | 0 | 0 | 0 | 111.5 | T62 A63 G69 L70 | T62-Y66 WeakPolarHBondContact O-CD2 3.34Å; T62-Y66 PolarHBondContact O-N 3.36Å; A63-Y66 PolarHBondContact O-N 3Å; Y66-G69 PolarHBondContact O-N 2.91Å; Y66-L70 WeakPolarHBondContact O-CB 3.16Å; Y66-L70 WeakPolarHBondContact O-CG 3.48Å; Y66-L70 PolarHBondContact O-N 3.5Å |
| 67 | W | 64.3 | Low | 66.6 | Low | 180 Ų | 180 | 108.4 Ų | 108.4 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.4 | -47.6 | 176.9 | -172.7 | -97.3 | 0 | 0 | 0 | 112.5 | A63 V64 H65 G69 L70 C71 | A63-W67 WeakPolarHBondContact O-CB 3.5Å; A63-W67 PolarHBondContact O-N 3.3Å; V64-W67 PolarHBondContact O-N 3.39Å; H65-W67 VanDerWaalsContact C-N 3.32Å; H65-W67 PolarHBondContact O-N 3.46Å; W67-G69 PolarHBondContact O-N 3.32Å; W67-L70 PolarHBondContact O-N 3.37Å; W67-C71 PolarHBondContact O-N 2.95Å; W67-C71 PolarHBondContact O-SG 3.01Å; W67-C71 VanDerWaalsContact O-SG 3.39Å |
| 68 | R | 70 | Confident | 66.7 | Low | 174 Ų | 174 | 106.8 Ų | 106.8 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 177.2 | -80.1 | -176.8 | 174.5 | 172.7 | -0.8 | 112.6 | V64 H65 C71 S72 | V64-R68 PolarHBondContact O-N 3Å; H65-R68 PolarHBondContact O-N 3.37Å; R68-C71 PolarHBondContact O-N 3.35Å; R68-S72 PolarHBondContact O-N 3.26Å; R68-S72 PolarHBondContact O-OG 3.4Å |
| 69 | G | 69.3 | Low | 66.9 | Low | 43 Ų | 43 | 103.5 Ų | 103.5 | 44% | 0.443 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.3 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H65 Y66 W67 S72 M73 | H65-G69 PolarHBondContact O-N 3Å; Y66-G69 PolarHBondContact O-N 2.91Å; W67-G69 PolarHBondContact O-N 3.32Å; G69-S72 PolarHBondContact O-N 3.38Å; G69-M73 PolarHBondContact O-N 2.86Å |
| 70 | L | 64.7 | Low | 67.2 | Low | 115 Ų | 115 | 99.6 Ų | 99.6 | 60% | 0.602 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | -71.7 | 169.6 | 0 | 0 | 0 | 112.2 | Y66 W67 M73 A74 | Y66-L70 WeakPolarHBondContact O-CB 3.16Å; Y66-L70 WeakPolarHBondContact O-CG 3.48Å; Y66-L70 PolarHBondContact O-N 3.5Å; W67-L70 PolarHBondContact O-N 3.37Å; L70-M73 PolarHBondContact O-N 3.17Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 2.93Å |
| 71 | C | 63.7 | Low | 67.4 | Low | 53 Ų | 53 | 99.8 Ų | 99.8 | 36% | 0.358 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.5 | -73.8 | 0 | 0 | 0 | 0 | 112.7 | W67 R68 M73 A74 L75 | W67-C71 PolarHBondContact O-N 2.95Å; W67-C71 PolarHBondContact O-SG 3.01Å; W67-C71 VanDerWaalsContact O-SG 3.39Å; R68-C71 PolarHBondContact O-N 3.35Å; C71-M73 VanDerWaalsContact C-N 3.35Å; C71-M73 PolarHBondContact O-N 3.01Å; C71-A74 PolarHBondContact O-N 3.46Å; C71-L75 WeakPolarHBondContact O-CB 3.34Å; C71-L75 PolarHBondContact O-N 3.4Å |
| 72 | S | 69.5 | Low | 67.7 | Low | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 177.3 | -64.7 | 0 | 0 | 0 | 0 | 112 | R68 G69 A74 L75 L76 | R68-S72 PolarHBondContact O-N 3.26Å; R68-S72 PolarHBondContact O-OG 3.4Å; G69-S72 PolarHBondContact O-N 3.38Å; S72-A74 VanDerWaalsContact C-N 3.35Å; S72-L75 PolarHBondContact O-N 2.83Å; S72-L76 WeakPolarHBondContact O-CB 3.33Å; S72-L76 PolarHBondContact O-N 3.05Å |
| 73 | M | 60.9 | Low | 68 | Low | 139 Ų | 139 | 108.9 Ų | 108.9 | 69% | 0.685 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.8 | -38.1 | 176.8 | -160.5 | 116.9 | 100.9 | 0 | 0 | 111.7 | G69 L70 C71 K77 | G69-M73 PolarHBondContact O-N 2.86Å; L70-M73 PolarHBondContact O-N 3.17Å; C71-M73 VanDerWaalsContact C-N 3.35Å; C71-M73 PolarHBondContact O-N 3.01Å; M73-K77 WeakPolarHBondContact O-CB 3.32Å; M73-K77 PolarHBondContact O-N 3.38Å |
| 74 | A | 65.1 | Low | 68.2 | Low | 59 Ų | 59 | 110.8 Ų | 110.8 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L70 C71 S72 K77 A78 | L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 2.93Å; C71-A74 PolarHBondContact O-N 3.46Å; S72-A74 VanDerWaalsContact C-N 3.35Å; A74-K77 PolarHBondContact O-N 3.38Å; A74-A78 WeakPolarHBondContact O-CB 3.45Å; A74-A78 PolarHBondContact O-N 3.34Å |
| 75 | L | 66.6 | Low | 68.4 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 60% | 0.597 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -47 | 174.4 | -88.8 | 156.8 | 0 | 0 | 0 | 111.8 | C71 S72 K77 A78 E79 | C71-L75 WeakPolarHBondContact O-CB 3.34Å; C71-L75 PolarHBondContact O-N 3.4Å; S72-L75 PolarHBondContact O-N 2.83Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 2.93Å; L75-A78 PolarHBondContact O-N 2.96Å; L75-A78 VanDerWaalsContact O-N 3.17Å; L75-E79 WeakPolarHBondContact O-CB 3.43Å; L75-E79 WeakPolarHBondContact O-CG 3.34Å; L75-E79 PolarHBondContact O-N 3.42Å |
| 76 | L | 65.4 | Low | 69 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 68% | 0.675 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.7 | -41.3 | 174.8 | -86.6 | 155.3 | 0 | 0 | 0 | 112.1 | S72 G80 | S72-L76 WeakPolarHBondContact O-CB 3.33Å; S72-L76 PolarHBondContact O-N 3.05Å; L76-G80 PolarHBondContact O-N 2.98Å |
| 77 | K | 64.2 | Low | 69.1 | Low | 157 Ų | 157 | 109.7 Ų | 109.7 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.4 | -38.6 | 176.5 | -168.2 | 167.3 | -175.7 | 170.2 | 0 | 111.8 | M73 A74 L75 M81 | M73-K77 WeakPolarHBondContact O-CB 3.32Å; M73-K77 PolarHBondContact O-N 3.38Å; A74-K77 PolarHBondContact O-N 3.38Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 2.93Å; K77-M81 WeakPolarHBondContact O-CB 3.38Å; K77-M81 WeakPolarHBondContact O-CG 3.48Å; K77-M81 PolarHBondContact O-N 3.08Å |
| 78 | A | 69.2 | Low | 69.6 | Low | 59 Ų | 59 | 105.4 Ų | 105.4 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A74 L75 M81 Y82 | A74-A78 WeakPolarHBondContact O-CB 3.45Å; A74-A78 PolarHBondContact O-N 3.34Å; L75-A78 PolarHBondContact O-N 2.96Å; L75-A78 VanDerWaalsContact O-N 3.17Å; A78-M81 PolarHBondContact O-N 2.91Å; A78-Y82 PolarHBondContact O-N 3.5Å |
| 79 | E | 68.3 | Low | 69.7 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.9 | -48.7 | 173.1 | -75.8 | -69.4 | 157.4 | 0 | 0 | 110.9 | L75 M81 Y82 Y83 | L75-E79 WeakPolarHBondContact O-CB 3.43Å; L75-E79 WeakPolarHBondContact O-CG 3.34Å; L75-E79 PolarHBondContact O-N 3.42Å; E79-M81 VanDerWaalsContact C-N 3.32Å; E79-M81 PolarHBondContact O-N 2.97Å; E79-Y82 WeakPolarHBondContact O-CB 3.12Å; E79-Y82 PolarHBondContact O-N 3.39Å; E79-Y82 VanDerWaalsContact O-N 3.08Å; E79-Y83 WeakPolarHBondContact O-CD2 3.37Å; E79-Y83 PolarHBondContact O-N 3.28Å |
| 80 | G | 70.4 | Confident | 69.7 | Low | 30 Ų | 30 | 109.2 Ų | 109.2 | 31% | 0.309 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.1 | -43.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L76 Y82 Y83 I84 | L76-G80 PolarHBondContact O-N 2.98Å; G80-Y82 VanDerWaalsContact C-N 3.35Å; G80-Y83 PolarHBondContact O-N 3.01Å; G80-I84 WeakPolarHBondContact O-CD1 3.33Å; G80-I84 VanDerWaalsContact O-CG1 3.27Å; G80-I84 WeakPolarHBondContact O-CG1 3.27Å; G80-I84 PolarHBondContact O-N 2.85Å; G80-I84 VanDerWaalsContact O-N 3.09Å |
| 81 | M | 71 | Confident | 70 | Confident | 118 Ų | 118 | 106.4 Ų | 106.4 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -36.2 | 175.7 | -71.1 | -67.2 | -69 | 0 | 0 | 112.4 | K77 A78 E79 I84 F85 | K77-M81 WeakPolarHBondContact O-CB 3.38Å; K77-M81 WeakPolarHBondContact O-CG 3.48Å; K77-M81 PolarHBondContact O-N 3.08Å; A78-M81 PolarHBondContact O-N 2.91Å; E79-M81 VanDerWaalsContact C-N 3.32Å; E79-M81 PolarHBondContact O-N 2.97Å; M81-I84 PolarHBondContact O-N 2.91Å; M81-I84 HydrophobicContact SD-CD1 4.49Å; M81-F85 WeakPolarHBondContact O-CB 3.49Å; M81-F85 PolarHBondContact O-N 2.92Å |
| 82 | Y | 77.2 | Confident | 70.4 | Confident | 147 Ų | 147 | 108.7 Ų | 108.7 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 175.1 | 176.7 | -99.9 | 0 | 0 | 0 | 111.7 | A78 E79 G80 I84 F85 F86 | A78-Y82 PolarHBondContact O-N 3.5Å; E79-Y82 WeakPolarHBondContact O-CB 3.12Å; E79-Y82 PolarHBondContact O-N 3.39Å; E79-Y82 VanDerWaalsContact O-N 3.08Å; G80-Y82 VanDerWaalsContact C-N 3.35Å; Y82-I84 PolarHBondContact O-N 3.45Å; Y82-F85 PolarHBondContact O-N 3.49Å; Y82-F86 WeakPolarHBondContact O-CB 3.21Å; Y82-F86 PolarHBondContact O-N 3.34Å |
| 83 | Y | 74.7 | Confident | 70.6 | Confident | 151 Ų | 151 | 107.8 Ų | 107.8 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 176.4 | -74.8 | -70.7 | 0 | 0 | 0 | 112.4 | E79 G80 F85 F86 F87 | E79-Y83 WeakPolarHBondContact O-CD2 3.37Å; E79-Y83 PolarHBondContact O-N 3.28Å; G80-Y83 PolarHBondContact O-N 3.01Å; Y83-F85 VanDerWaalsContact C-N 3.35Å; Y83-F85 PolarHBondContact O-N 3.47Å; Y83-F86 PolarHBondContact O-N 3.41Å; Y83-F87 WeakPolarHBondContact O-CB 3.5Å; Y83-F87 PolarHBondContact O-N 2.93Å |
| 84 | I | 73.4 | Confident | 70.9 | Confident | 96 Ų | 96 | 104.7 Ų | 104.7 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.9 | -66.6 | 164.5 | 0 | 0 | 0 | 110.2 | G80 M81 Y82 F86 F87 L88 | G80-I84 WeakPolarHBondContact O-CD1 3.33Å; G80-I84 VanDerWaalsContact O-CG1 3.27Å; G80-I84 WeakPolarHBondContact O-CG1 3.27Å; G80-I84 PolarHBondContact O-N 2.85Å; G80-I84 VanDerWaalsContact O-N 3.09Å; M81-I84 PolarHBondContact O-N 2.91Å; M81-I84 HydrophobicContact SD-CD1 4.49Å; Y82-I84 PolarHBondContact O-N 3.45Å; I84-F86 PolarHBondContact O-N 2.88Å; I84-F87 PolarHBondContact O-N 3.27Å; I84-L88 HydrophobicContact CG2-CD1 4.08Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 3.12Å |
| 85 | F | 72.8 | Confident | 70.8 | Confident | 136 Ų | 136 | 106 Ų | 106 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -39.8 | -179.7 | -157.7 | -92.1 | 0 | 0 | 0 | 112.4 | M81 Y82 Y83 L88 R89 | M81-F85 WeakPolarHBondContact O-CB 3.49Å; M81-F85 PolarHBondContact O-N 2.92Å; Y82-F85 PolarHBondContact O-N 3.49Å; Y83-F85 VanDerWaalsContact C-N 3.35Å; Y83-F85 PolarHBondContact O-N 3.47Å; F85-L88 PolarHBondContact O-N 3.43Å; F85-R89 HydrophobicContact CE1-CG 4.4Å; F85-R89 WeakPolarHBondContact O-CB 3.47Å; F85-R89 PolarHBondContact O-N 3.09Å |
| 86 | F | 78.5 | Confident | 70.5 | Confident | 94 Ų | 94 | 104.9 Ų | 104.9 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 175 | -176.8 | -100.5 | 0 | 0 | 0 | 111.8 | Y82 Y83 I84 R89 K90 | Y82-F86 WeakPolarHBondContact O-CB 3.21Å; Y82-F86 PolarHBondContact O-N 3.34Å; Y83-F86 PolarHBondContact O-N 3.41Å; I84-F86 PolarHBondContact O-N 2.88Å; F86-R89 PolarHBondContact O-N 3.43Å; F86-K90 HydrophobicContact CD1-CD 4.38Å; F86-K90 HydrophobicContact CE1-CD 3.8Å; F86-K90 HydrophobicContact CE1-CG 4.33Å; F86-K90 HydrophobicContact CZ-CD 4.28Å; F86-K90 VanDerWaalsContact CZ-CE 3.48Å; F86-K90 PolarHBondContact O-N 2.86Å |
| 87 | F | 72.8 | Confident | 70.3 | Confident | 139 Ų | 139 | 106.6 Ų | 106.6 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 176.3 | -167.4 | -98 | 0 | 0 | 0 | 111.3 | Y83 I84 R89 K90 C91 | Y83-F87 WeakPolarHBondContact O-CB 3.5Å; Y83-F87 PolarHBondContact O-N 2.93Å; I84-F87 PolarHBondContact O-N 3.27Å; F87-R89 PolarHBondContact O-N 3.36Å; F87-K90 CarbonylContact O-C 3.53Å; F87-K90 WeakPolarHBondContact O-CB 3.34Å; F87-K90 PolarHBondContact O-N 3.25Å; F87-K90 VanDerWaalsContact O-N 3.12Å; F87-C91 WeakPolarHBondContact CE1-SG 3.35Å; F87-C91 PolarHBondContact O-N 2.81Å; F87-C91 PolarHBondContact O-SG 3.21Å; F87-C91 VanDerWaalsContact O-SG 3.33Å |
| 88 | L | 74.1 | Confident | 69.9 | Low | 91 Ų | 91 | 107.3 Ų | 107.3 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 174.2 | -72.5 | 172.5 | 0 | 0 | 0 | 112 | I84 F85 K90 C91 I92 | I84-L88 HydrophobicContact CG2-CD1 4.08Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 3.12Å; F85-L88 PolarHBondContact O-N 3.43Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 2.91Å; L88-C91 PolarHBondContact O-N 2.94Å; L88-I92 WeakPolarHBondContact O-CB 3.46Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 3.43Å |
| 89 | R | 71.4 | Confident | 69.3 | Low | 177 Ų | 177 | 111.3 Ų | 111.3 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59 | -42.5 | 173.5 | -98.1 | -172 | 167.8 | -164.9 | -1.3 | 112.1 | F85 F86 F87 S93 | F85-R89 HydrophobicContact CE1-CG 4.4Å; F85-R89 WeakPolarHBondContact O-CB 3.47Å; F85-R89 PolarHBondContact O-N 3.09Å; F86-R89 PolarHBondContact O-N 3.43Å; F87-R89 PolarHBondContact O-N 3.36Å; R89-S93 WeakPolarHBondContact O-CB 3.24Å; R89-S93 PolarHBondContact O-N 3.48Å |
| 90 | K | 69.9 | Low | 68.7 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 174.2 | -84 | -169.5 | 171.9 | -178.9 | 0 | 111.7 | F86 F87 L88 I92 S93 V94 | F86-K90 HydrophobicContact CD1-CD 4.38Å; F86-K90 HydrophobicContact CE1-CD 3.8Å; F86-K90 HydrophobicContact CE1-CG 4.33Å; F86-K90 HydrophobicContact CZ-CD 4.28Å; F86-K90 VanDerWaalsContact CZ-CE 3.48Å; F86-K90 PolarHBondContact O-N 2.86Å; F87-K90 CarbonylContact O-C 3.53Å; F87-K90 WeakPolarHBondContact O-CB 3.34Å; F87-K90 PolarHBondContact O-N 3.25Å; F87-K90 VanDerWaalsContact O-N 3.12Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 2.91Å; K90-I92 PolarHBondContact O-N 3.33Å; K90-S93 PolarHBondContact O-N 3.12Å; K90-V94 VanDerWaalsContact O-CG2 3.32Å; K90-V94 WeakPolarHBondContact O-CG2 3.32Å; K90-V94 PolarHBondContact O-N 3.32Å |
| 91 | C | 71.3 | Confident | 67.8 | Low | 57 Ų | 57 | 120.3 Ų | 120.3 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.7 | -44 | 177.9 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | F87 L88 V94 N95 | F87-C91 WeakPolarHBondContact CE1-SG 3.35Å; F87-C91 PolarHBondContact O-N 2.81Å; F87-C91 PolarHBondContact O-SG 3.21Å; F87-C91 VanDerWaalsContact O-SG 3.33Å; L88-C91 PolarHBondContact O-N 2.94Å; C91-V94 PolarHBondContact O-N 2.86Å; C91-N95 WeakPolarHBondContact O-CB 3.34Å; C91-N95 PolarHBondContact O-N 3.09Å |
| 92 | I | 72.2 | Confident | 66.6 | Low | 100 Ų | 100 | 119 Ų | 119 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.8 | -43.4 | 176.3 | -65.8 | 163.8 | 0 | 0 | 0 | 110.5 | L88 K90 V94 N95 N96 | L88-I92 WeakPolarHBondContact O-CB 3.46Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 3.43Å; K90-I92 PolarHBondContact O-N 3.33Å; I92-V94 VanDerWaalsContact C-N 3.33Å; I92-V94 PolarHBondContact O-N 3.05Å; I92-N95 PolarHBondContact O-N 3.37Å; I92-N96 WeakPolarHBondContact O-CB 3.48Å; I92-N96 PolarHBondContact O-N 3.31Å |
| 93 | S | 73 | Confident | 65.3 | Low | 52 Ų | 52 | 117.6 Ų | 117.6 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.3 | -39.9 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | R89 K90 R97 | R89-S93 WeakPolarHBondContact O-CB 3.24Å; R89-S93 PolarHBondContact O-N 3.48Å; K90-S93 PolarHBondContact O-N 3.12Å; S93-R97 WeakPolarHBondContact O-CG 3.47Å; S93-R97 PolarHBondContact O-N 3.37Å; S93-R97 VanDerWaalsContact O-N 3.12Å |
| 94 | V | 66.9 | Low | 64.2 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.8 | -46.9 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | K90 C91 I92 N96 R97 Y98 | K90-V94 VanDerWaalsContact O-CG2 3.32Å; K90-V94 WeakPolarHBondContact O-CG2 3.32Å; K90-V94 PolarHBondContact O-N 3.32Å; C91-V94 PolarHBondContact O-N 2.86Å; I92-V94 VanDerWaalsContact C-N 3.33Å; I92-V94 PolarHBondContact O-N 3.05Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-N96 PolarHBondContact O-N 2.87Å; V94-R97 WeakPolarHBondContact O-CB 3.37Å; V94-R97 PolarHBondContact O-N 2.9Å; V94-R97 VanDerWaalsContact O-N 3.09Å; V94-Y98 HydrophobicContact CG1-CD2 3.64Å; V94-Y98 HydrophobicContact CG1-CE2 3.66Å; V94-Y98 WeakPolarHBondContact O-CD2 3.45Å; V94-Y98 PolarHBondContact O-N 3.48Å |
| 95 | N | 63 | Low | 63 | Low | 87 Ų | 87 | 126.8 Ų | 126.8 | 47% | 0.465 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.2 | -41 | 178.5 | -163.5 | -10.9 | 0 | 0 | 0 | 112.1 | C91 I92 R97 Y98 K99 | C91-N95 WeakPolarHBondContact O-CB 3.34Å; C91-N95 PolarHBondContact O-N 3.09Å; I92-N95 PolarHBondContact O-N 3.37Å; N95-R97 PolarHBondContact O-N 3.13Å; N95-Y98 PolarHBondContact O-N 2.89Å; N95-K99 WeakPolarHBondContact O-CG 3.48Å; N95-K99 PolarHBondContact O-N 3.48Å |
| 96 | N | 61.7 | Low | 61.6 | Low | 89 Ų | 89 | 132.1 Ų | 132.1 | 48% | 0.476 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.4 | -36.6 | 174.8 | -75.5 | -14 | 0 | 0 | 0 | 112.7 | I92 V94 K99 N100 | I92-N96 WeakPolarHBondContact O-CB 3.48Å; I92-N96 PolarHBondContact O-N 3.31Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-N96 PolarHBondContact O-N 2.87Å; N96-K99 PolarHBondContact O-N 3.44Å; N96-N100 PolarHBondContact O-N 3.44Å |
| 97 | R | 59.3 | Low | 60.7 | Low | 166 Ų | 166 | 134 Ų | 134 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.3 | -43.4 | 171.2 | -72.8 | -175.3 | -154.4 | -178.2 | 6.1 | 111.2 | S93 V94 N95 K99 N100 F101 | S93-R97 WeakPolarHBondContact O-CG 3.47Å; S93-R97 PolarHBondContact O-N 3.37Å; S93-R97 VanDerWaalsContact O-N 3.12Å; V94-R97 WeakPolarHBondContact O-CB 3.37Å; V94-R97 PolarHBondContact O-N 2.9Å; V94-R97 VanDerWaalsContact O-N 3.09Å; N95-R97 PolarHBondContact O-N 3.13Å; R97-K99 PolarHBondContact O-N 3.18Å; R97-N100 CarbonylContact O-C 3.51Å; R97-N100 PolarHBondContact O-N 3.4Å; R97-F101 WeakPolarHBondContact O-CB 3.4Å; R97-F101 WeakPolarHBondContact O-CD2 3.49Å; R97-F101 PolarHBondContact O-N 3.46Å |
| 98 | Y | 55.9 | Low | 60.1 | Low | 172 Ų | 172 | 133.7 Ų | 133.7 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62 | -40.1 | 176.7 | -91.4 | -83.7 | 0 | 0 | 0 | 112.6 | V94 N95 N100 F101 S102 | V94-Y98 HydrophobicContact CG1-CD2 3.64Å; V94-Y98 HydrophobicContact CG1-CE2 3.66Å; V94-Y98 WeakPolarHBondContact O-CD2 3.45Å; V94-Y98 PolarHBondContact O-N 3.48Å; N95-Y98 PolarHBondContact O-N 2.89Å; Y98-N100 VanDerWaalsContact C-N 3.33Å; Y98-N100 PolarHBondContact O-N 2.89Å; Y98-F101 CarbonylContact O-C 3.59Å; Y98-F101 PolarHBondContact O-N 3.21Å; Y98-F101 VanDerWaalsContact O-N 3.13Å; Y98-S102 PolarHBondContact O-N 2.89Å |
| 99 | K | 56.6 | Low | 59.3 | Low | 143 Ų | 143 | 136.1 Ų | 136.1 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.2 | -36.9 | 173.6 | -72.8 | -178.4 | 178.6 | -177 | 0 | 112.6 | N95 N96 R97 F101 S102 | N95-K99 WeakPolarHBondContact O-CG 3.48Å; N95-K99 PolarHBondContact O-N 3.48Å; N96-K99 PolarHBondContact O-N 3.44Å; R97-K99 PolarHBondContact O-N 3.18Å; K99-F101 VanDerWaalsContact C-N 3.29Å; K99-S102 WeakPolarHBondContact O-CB 3.42Å; K99-S102 PolarHBondContact O-N 3.31Å |
| 100 | N | 55.9 | Low | 58.6 | Low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.4 | -16.5 | 173.4 | -80.5 | 0.9 | 0 | 0 | 0 | 113.7 | N96 R97 Y98 S102 | N96-N100 PolarHBondContact O-N 3.44Å; R97-N100 CarbonylContact O-C 3.51Å; R97-N100 PolarHBondContact O-N 3.4Å; Y98-N100 VanDerWaalsContact C-N 3.33Å; Y98-N100 PolarHBondContact O-N 2.89Å; N100-S102 VanDerWaalsContact C-N 3.29Å |
| 101 | F | 53.3 | Low | 57.9 | Low | 168 Ų | 168 | 134.6 Ų | 134.6 | 74% | 0.737 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 12.6 | 171.1 | -97.3 | -83.5 | 0 | 0 | 0 | 112.9 | R97 Y98 K99 P103 | R97-F101 WeakPolarHBondContact O-CB 3.4Å; R97-F101 WeakPolarHBondContact O-CD2 3.49Å; R97-F101 PolarHBondContact O-N 3.46Å; Y98-F101 CarbonylContact O-C 3.59Å; Y98-F101 PolarHBondContact O-N 3.21Å; Y98-F101 VanDerWaalsContact O-N 3.13Å; K99-F101 VanDerWaalsContact C-N 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.15Å |
| 102 | S | 45.5 | Very low | 57 | Low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | -57.2 | 112.1 | 167.6 | -157 | 0 | 0 | 0 | 0 | 107.7 | Y98 K99 N100 K104 | Y98-S102 PolarHBondContact O-N 2.89Å; K99-S102 WeakPolarHBondContact O-CB 3.42Å; K99-S102 PolarHBondContact O-N 3.31Å; N100-S102 VanDerWaalsContact C-N 3.29Å; S102-K104 PolarHBondContact O-N 2.92Å | ||
| 103 | P | 50 | Low | 55.9 | Low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 69% | 0.692 | S | S | * | * | trans | -63.9 | 109.5 | -174.7 | 25.2 | -31.1 | 0 | 0 | 0 | 107.1 | F101 R105 | F101-P103 WeakPolarHBondContact O-CD 3.15Å; P103-R105 PolarHBondContact O-N 2.93Å | ||
| 104 | K | 50.8 | Low | 54.6 | Low | 199 Ų | 199 | 149.6 Ų | 149.6 | 87% | 0.865 | 72% | 0.717 | S | S | * | * | trans | -55.4 | 107.4 | 167 | -108.6 | 173.4 | 174.5 | 175.1 | 0 | 106.8 | S102 L106 | S102-K104 PolarHBondContact O-N 2.92Å; K104-L106 PolarHBondContact O-N 3.32Å | ||
| 105 | R | 47.3 | Very low | 53.5 | Low | 242 Ų | 242 | 155.9 Ų | 155.9 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | 13.2 | 98.8 | 149.6 | -64 | 179.8 | -173.7 | 177.3 | 0.4 | 113.8 | P103 | P103-R105 PolarHBondContact O-N 2.93Š| ||
| 106 | L | 43.4 | Very low | 52.7 | Low | 247 Ų | 247 | 162.2 Ų | 162.2 | 100% | 1.293 | 76% | 0.764 | S | S | * | * | trans | -138.6 | 0 | 146.4 | -94.2 | 159.4 | 0 | 0 | 0 | 105.7 | K104 | K104-L106 PolarHBondContact O-N 3.32Š|
Retrieved 106 of 106 residues in 77.5 ms
(Link to these results)