| 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 | 57.6 | Low | 57.2 | Low | 213 Ų | 213 | 131.5 Ų | 131.5 | 100% | 1.049 | 64% | 0.642 | S | S | * | * | 0 | -37.3 | 0 | -72.8 | -65.5 | 174.7 | 0 | 0 | 113.2 | L3 | M1-L3 PolarHBondContact O-N 3.4Š| |||
| 2 | L | 58.3 | Low | 57 | Low | 151 Ų | 151 | 127.8 Ų | 127.8 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.1 | -30.3 | -177.9 | -90.9 | 148.7 | 0 | 0 | 0 | 116.3 | I4 Y5 F6 | L2-I4 PolarHBondContact O-N 3.18Å; L2-Y5 PolarHBondContact O-N 3.28Å; L2-F6 PolarHBondContact O-N 2.92Å |
| 3 | L | 56.3 | Low | 56.5 | Low | 154 Ų | 154 | 123.2 Ų | 123.2 | 81% | 0.806 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.6 | -33.5 | -176 | -72.7 | 168.9 | 0 | 0 | 0 | 114 | M1 Y5 F6 Y7 | M1-L3 PolarHBondContact O-N 3.4Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; L3-F6 PolarHBondContact O-N 2.81Å; L3-Y7 PolarHBondContact O-N 2.85Å |
| 4 | I | 63.5 | Low | 56 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 59% | 0.585 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.5 | -36 | 180 | -72 | 166.2 | 0 | 0 | 0 | 111 | L2 Y7 L8 | L2-I4 PolarHBondContact O-N 3.18Å; I4-Y7 PolarHBondContact O-N 2.91Å; I4-L8 HydrophobicContact CG2-CD1 4.14Å; I4-L8 PolarHBondContact O-N 2.77Å |
| 5 | Y | 55.4 | Low | 55.5 | Low | 166 Ų | 166 | 119.7 Ų | 119.7 | 65% | 0.651 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.7 | -40.3 | 178.7 | -113.2 | -86.6 | 0 | 0 | 0 | 112.1 | L2 L3 Y7 L8 I9 | L2-Y5 PolarHBondContact O-N 3.28Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; Y5-Y7 VanDerWaalsContact C-N 3.31Å; Y5-Y7 PolarHBondContact O-N 3.39Å; Y5-L8 PolarHBondContact O-N 2.93Å; Y5-I9 HydrophobicContact CD1-CD1 4.2Å; Y5-I9 WeakPolarHBondContact O-CG1 3.48Å; Y5-I9 PolarHBondContact O-N 3.11Å |
| 6 | F | 56.1 | Low | 54.7 | Low | 155 Ų | 155 | 123.3 Ų | 123.3 | 68% | 0.68 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | 175.1 | -120.6 | -86.9 | 0 | 0 | 0 | 111.3 | L2 L3 T10 | L2-F6 PolarHBondContact O-N 2.92Å; L3-F6 PolarHBondContact O-N 2.81Å; F6-T10 VanDerWaalsContact O-CB 3.31Å; F6-T10 WeakPolarHBondContact O-CB 3.19Å; F6-T10 PolarHBondContact O-N 3.26Å; F6-T10 PolarHBondContact O-OG1 2.96Å |
| 7 | Y | 56.6 | Low | 53.9 | Low | 172 Ų | 172 | 121.1 Ų | 121.1 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.3 | -46.6 | 176 | -166.9 | -99.5 | 0 | 0 | 0 | 112 | L3 I4 Y5 I9 T10 C11 | L3-Y7 PolarHBondContact O-N 2.85Å; I4-Y7 PolarHBondContact O-N 2.91Å; Y5-Y7 VanDerWaalsContact C-N 3.31Å; Y5-Y7 PolarHBondContact O-N 3.39Å; Y7-I9 PolarHBondContact O-N 2.55Å; Y7-T10 PolarHBondContact O-N 2.97Å; Y7-C11 WeakPolarHBondContact CE1-SG 3.38Å; Y7-C11 VanDerWaalsContact CZ-SG 3.54Å; Y7-C11 VanDerWaalsContact O-CB 3.28Å; Y7-C11 WeakPolarHBondContact O-CB 3.46Å; Y7-C11 PolarHBondContact O-N 3.31Å; Y7-C11 PolarHBondContact O-SG 3.26Å |
| 8 | L | 55 | Low | 53.1 | Low | 90 Ų | 90 | 120.7 Ų | 120.7 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.7 | -45.2 | 178.2 | -84 | 163.4 | 0 | 0 | 0 | 112.6 | I4 Y5 C11 I12 | I4-L8 HydrophobicContact CG2-CD1 4.14Å; I4-L8 PolarHBondContact O-N 2.77Å; Y5-L8 PolarHBondContact O-N 2.93Å; L8-C11 PolarHBondContact O-N 3.03Å; L8-I12 HydrophobicContact CD2-CD1 4.47Å; L8-I12 WeakPolarHBondContact O-CB 3.26Å; L8-I12 VanDerWaalsContact O-CD1 3.3Å; L8-I12 WeakPolarHBondContact O-CD1 3.44Å; L8-I12 WeakPolarHBondContact O-CG1 3.42Å; L8-I12 PolarHBondContact O-N 2.88Å |
| 9 | I | 57.3 | Low | 52.5 | Low | 100 Ų | 100 | 123.1 Ų | 123.1 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 178.9 | -65.6 | 168.2 | 0 | 0 | 0 | 110.5 | Y5 Y7 C11 I12 S13 | Y5-I9 HydrophobicContact CD1-CD1 4.2Å; Y5-I9 WeakPolarHBondContact O-CG1 3.48Å; Y5-I9 PolarHBondContact O-N 3.11Å; Y7-I9 PolarHBondContact O-N 2.55Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 3.37Å; I9-I12 PolarHBondContact O-N 3.13Å; I9-S13 WeakPolarHBondContact O-CB 3.29Å; I9-S13 PolarHBondContact O-N 3.3Å; I9-S13 PolarHBondContact O-OG 3.21Å |
| 10 | T | 57.5 | Low | 51.9 | Low | 84 Ų | 84 | 128.3 Ų | 128.3 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.3 | -30.7 | -179.6 | -42.9 | 0 | 0 | 0 | 0 | 111.7 | F6 Y7 P14 | F6-T10 VanDerWaalsContact O-CB 3.31Å; F6-T10 WeakPolarHBondContact O-CB 3.19Å; F6-T10 PolarHBondContact O-N 3.26Å; F6-T10 PolarHBondContact O-OG1 2.96Å; Y7-T10 PolarHBondContact O-N 2.97Å; T10-P14 WeakPolarHBondContact O-CD 3.41Å |
| 11 | C | 56.1 | Low | 51.4 | Low | 48 Ų | 48 | 130.5 Ų | 130.5 | 32% | 0.324 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.8 | -30 | 174.8 | -70.8 | 0 | 0 | 0 | 0 | 113.1 | Y7 L8 I9 I15 | Y7-C11 WeakPolarHBondContact CE1-SG 3.38Å; Y7-C11 VanDerWaalsContact CZ-SG 3.54Å; Y7-C11 VanDerWaalsContact O-CB 3.28Å; Y7-C11 WeakPolarHBondContact O-CB 3.46Å; Y7-C11 PolarHBondContact O-N 3.31Å; Y7-C11 PolarHBondContact O-SG 3.26Å; L8-C11 PolarHBondContact O-N 3.03Å; I9-C11 VanDerWaalsContact C-N 3.34Å; I9-C11 PolarHBondContact O-N 3.37Å; C11-I15 VanDerWaalsContact O-CD1 3.22Å; C11-I15 WeakPolarHBondContact O-CD1 3.29Å; C11-I15 VanDerWaalsContact O-CG1 3.31Å; C11-I15 WeakPolarHBondContact O-CG1 3.43Å |
| 12 | I | 54 | Low | 50.6 | Low | 87 Ų | 87 | 125.5 Ų | 125.5 | 45% | 0.446 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -86.6 | -29.7 | -178.3 | -60.3 | 162.8 | 0 | 0 | 0 | 111.6 | L8 I9 I15 Y16 | L8-I12 HydrophobicContact CD2-CD1 4.47Å; L8-I12 WeakPolarHBondContact O-CB 3.26Å; L8-I12 VanDerWaalsContact O-CD1 3.3Å; L8-I12 WeakPolarHBondContact O-CD1 3.44Å; L8-I12 WeakPolarHBondContact O-CG1 3.42Å; L8-I12 PolarHBondContact O-N 2.88Å; I9-I12 PolarHBondContact O-N 3.13Å; I12-I15 WeakPolarHBondContact O-CB 3.42Å; I12-I15 PolarHBondContact O-N 3.42Å; I12-I15 VanDerWaalsContact O-N 3.08Å; I12-Y16 HydrophobicContact CG2-CD2 4.31Å; I12-Y16 PolarHBondContact O-N 2.93Å; I12-Y16 VanDerWaalsContact O-N 3.17Å |
| 13 | S | 51.2 | Low | 49.6 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 47% | 0.469 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60 | -41.1 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 115.3 | I9 I15 Y16 S17 | I9-S13 WeakPolarHBondContact O-CB 3.29Å; I9-S13 PolarHBondContact O-N 3.3Å; I9-S13 PolarHBondContact O-OG 3.21Å; S13-I15 VanDerWaalsContact C-N 3.29Å; S13-I15 PolarHBondContact O-N 3.4Å; S13-Y16 PolarHBondContact O-N 3.19Å; S13-S17 PolarHBondContact O-N 3.12Å; S13-S17 PolarHBondContact O-OG 2.83Å |
| 14 | P | 48.9 | Very low | 49 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 47% | 0.468 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71 | -26.6 | 173.7 | 25.7 | -31.8 | 0 | 0 | 0 | 112.1 | T10 Y16 | T10-P14 WeakPolarHBondContact O-CD 3.41Å; P14-Y16 VanDerWaalsContact C-N 3.32Å; P14-Y16 PolarHBondContact O-N 2.99Å |
| 15 | I | 49.4 | Very low | 47.9 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.1 | -33.5 | 179.4 | -53.6 | 172.3 | 0 | 0 | 0 | 110.5 | C11 I12 S13 | C11-I15 VanDerWaalsContact O-CD1 3.22Å; C11-I15 WeakPolarHBondContact O-CD1 3.29Å; C11-I15 VanDerWaalsContact O-CG1 3.31Å; C11-I15 WeakPolarHBondContact O-CG1 3.43Å; I12-I15 WeakPolarHBondContact O-CB 3.42Å; I12-I15 PolarHBondContact O-N 3.42Å; I12-I15 VanDerWaalsContact O-N 3.08Å; S13-I15 VanDerWaalsContact C-N 3.29Å; S13-I15 PolarHBondContact O-N 3.4Å |
| 16 | Y | 42.4 | Very low | 47.1 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 69% | 0.694 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -94.7 | -12.9 | -178.3 | -104.2 | -85.3 | 0 | 0 | 0 | 115.8 | I12 S13 P14 | I12-Y16 HydrophobicContact CG2-CD2 4.31Å; I12-Y16 PolarHBondContact O-N 2.93Å; I12-Y16 VanDerWaalsContact O-N 3.17Å; S13-Y16 PolarHBondContact O-N 3.19Å; P14-Y16 VanDerWaalsContact C-N 3.32Å; P14-Y16 PolarHBondContact O-N 2.99Å |
| 17 | S | 40.7 | Very low | 46.6 | Very low | 86 Ų | 86 | 129 Ų | 129 | 60% | 0.601 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -87 | -8.7 | 178 | 43.3 | 0 | 0 | 0 | 0 | 113.8 | S13 | S13-S17 PolarHBondContact O-N 3.12Å; S13-S17 PolarHBondContact O-OG 2.83Å |
| 18 | H | 39.2 | Very low | 46 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 53% | 0.528 | 64% | 0.641 | S | S | . | * | trans | -97.2 | 8.7 | -176 | -107.8 | -76 | 0 | 0 | 0 | 116.1 | R20 Y21 | H18-R20 PolarHBondContact O-N 3.34Å; H18-Y21 AromaticContact CE1-CD2 3.29Å; H18-Y21 WeakPolarHBondContact CE1-CD2 3.3Å; H18-Y21 AromaticContact CE1-CE2 3.13Å; H18-Y21 WeakPolarHBondContact CE1-CE2 3.5Å; H18-Y21 AromaticContact CE1-CZ 3.87Å; H18-Y21 AromaticContact ND1-CD2 2.98Å; H18-Y21 WeakPolarHBondContact ND1-CD2 3.36Å; H18-Y21 AromaticContact ND1-CE2 3.35Å; H18-Y21 VanDerWaalsContact ND1-CE2 3.35Å; H18-Y21 WeakPolarHBondContact ND1-CE2 3.29Å; H18-Y21 AromaticContact ND1-CG 3.81Å; H18-Y21 PolarHBondContact O-N 3.11Å | ||
| 19 | E | 42.3 | Very low | 45.4 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 12.9 | 173.4 | -72.2 | -166.1 | 163.6 | 0 | 0 | 114.4 | ||
| 20 | R | 40.7 | Very low | 44.5 | Very low | 228 Ų | 228 | 137.9 Ų | 137.9 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | 17.3 | 171.1 | -71.3 | -157.6 | -171.8 | -167 | 4.9 | 114.8 | H18 | H18-R20 PolarHBondContact O-N 3.34Š|
| 21 | Y | 41.6 | Very low | 43.7 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 69% | 0.686 | 67% | 0.668 | S | S | * | * | trans | -98.7 | 102.1 | 168.9 | -77 | -93.5 | 0 | 0 | 0 | 109.6 | H18 Y23 | H18-Y21 AromaticContact CE1-CD2 3.29Å; H18-Y21 WeakPolarHBondContact CE1-CD2 3.3Å; H18-Y21 AromaticContact CE1-CE2 3.13Å; H18-Y21 WeakPolarHBondContact CE1-CE2 3.5Å; H18-Y21 AromaticContact CE1-CZ 3.87Å; H18-Y21 AromaticContact ND1-CD2 2.98Å; H18-Y21 WeakPolarHBondContact ND1-CD2 3.36Å; H18-Y21 AromaticContact ND1-CE2 3.35Å; H18-Y21 VanDerWaalsContact ND1-CE2 3.35Å; H18-Y21 WeakPolarHBondContact ND1-CE2 3.29Å; H18-Y21 AromaticContact ND1-CG 3.81Å; H18-Y21 PolarHBondContact O-N 3.11Å; Y21-Y23 PolarHBondContact O-N 2.95Å | ||
| 22 | S | 39.6 | Very low | 43.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | trans | -37.9 | 117 | 159.6 | -33.1 | 0 | 0 | 0 | 0 | 108.9 | D24 | S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.39Å | ||
| 23 | Y | 38.5 | Very low | 42.9 | Very low | 247 Ų | 247 | 141.1 Ų | 141.1 | 97% | 0.969 | 69% | 0.692 | S | S | * | * | trans | -58.4 | 97 | 163.4 | -102 | -100.4 | 0 | 0 | 0 | 107.4 | Y21 | Y21-Y23 PolarHBondContact O-N 2.95Š| ||
| 24 | D | 42.2 | Very low | 42.6 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -125.2 | 125.5 | 168.2 | -159.5 | 23.9 | 0 | 0 | 0 | 106 | S22 | S22-D24 VanDerWaalsContact C-N 3.3Å; S22-D24 PolarHBondContact O-N 3.39Å | ||
| 25 | D | 40.3 | Very low | 42.5 | Very low | 131 Ų | 131 | 148 Ų | 148 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | 24.3 | 109.6 | 171.6 | -74.7 | -26.1 | 0 | 0 | 0 | 118.3 | ||||
| 26 | H | 40.3 | Very low | 42.3 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 73% | 0.731 | 72% | 0.716 | S | S | * | * | 55.1 | 100.4 | 90.1 | -72.7 | -67.2 | 0 | 0 | 0 | 112.8 | |||||
| 27 | D | 44 | Very low | 42.6 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | 136.4 | 4.4 | 124.5 | -66.5 | -16.6 | 0 | 0 | 0 | 119.8 | |||||
| 28 | D | 45 | Very low | 42.7 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -118.6 | 23.7 | -176 | -68 | -26.5 | 0 | 0 | 0 | 117.1 | ||
| 29 | F | 41.3 | Very low | 42.8 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | trans | -143.4 | 56.4 | 167.1 | -140.9 | -100.1 | 0 | 0 | 0 | 113.6 | G31 | F29-G31 PolarHBondContact O-N 3.12Š| ||
| 30 | E | 40.1 | Very low | 42.8 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -63.6 | 59.4 | 134.3 | -74.6 | -173.7 | 157.6 | 0 | 0 | 109.3 | S32 | E30-S32 VanDerWaalsContact C-N 3.26Š| ||
| 31 | G | 40.6 | Very low | 42.8 | Very low | 28 Ų | 28 | 145 Ų | 145 | 29% | 0.289 | 73% | 0.732 | S | S | . | * | trans | -100.1 | 66 | 154.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | F29 F33 | F29-G31 PolarHBondContact O-N 3.12Å; G31-F33 PolarHBondContact O-N 2.84Å | ||
| 32 | S | 45.8 | Very low | 42.6 | Very low | 55 Ų | 55 | 139.4 Ų | 139.4 | 39% | 0.385 | 73% | 0.727 | S | S | . | * | trans | -49 | 113.7 | 170.2 | 35.7 | 0 | 0 | 0 | 0 | 106.9 | E30 F34 D35 | E30-S32 VanDerWaalsContact C-N 3.26Å; S32-F34 CarbonylContact O-C 3.39Å; S32-F34 PolarHBondContact O-N 3Å; S32-D35 PolarHBondContact O-N 3.24Å; S32-D35 VanDerWaalsContact O-OD2 3.14Å | ||
| 33 | F | 47.3 | Very low | 42.5 | Very low | 204 Ų | 204 | 136.7 Ų | 136.7 | 90% | 0.895 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -5 | 163.9 | -176.7 | -99.2 | 0 | 0 | 0 | 112.2 | G31 | G31-F33 PolarHBondContact O-N 2.84Š|
| 34 | F | 43.8 | Very low | 42.6 | Very low | 164 Ų | 164 | 136 Ų | 136 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 31.1 | 164.2 | -56.1 | -74.7 | 0 | 0 | 0 | 112.7 | S32 D36 | S32-F34 CarbonylContact O-C 3.39Å; S32-F34 PolarHBondContact O-N 3Å; F34-D36 VanDerWaalsContact C-N 3.34Å; F34-D36 PolarHBondContact O-N 3.12Å |
| 35 | D | 47.7 | Very low | 42.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | trans | -65 | 105.5 | 164.5 | -95.6 | -61 | 0 | 0 | 0 | 107.2 | S32 D37 | S32-D35 PolarHBondContact O-N 3.24Å; S32-D35 VanDerWaalsContact O-OD2 3.14Å; D35-D37 PolarHBondContact O-N 3.31Å | ||
| 36 | D | 45.1 | Very low | 43 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -67.5 | 63.2 | -172 | -70.2 | -61.3 | 0 | 0 | 0 | 111.9 | F34 Y38 G39 | F34-D36 VanDerWaalsContact C-N 3.34Å; F34-D36 PolarHBondContact O-N 3.12Å; D36-Y38 CarbonylContact O-C 3.47Å; D36-Y38 PolarHBondContact O-N 3.37Å; D36-G39 PolarHBondContact O-N 3.08Å | ||
| 37 | D | 47.7 | Very low | 42.7 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | trans | -69.9 | 11.6 | 161.1 | -96.3 | -10.7 | 0 | 0 | 0 | 112.1 | D35 G39 | D35-D37 PolarHBondContact O-N 3.31Å; D37-G39 PolarHBondContact O-N 3.12Å | ||
| 38 | Y | 43 | Very low | 42.4 | Very low | 198 Ų | 198 | 132.3 Ų | 132.3 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -70.5 | 52.7 | 143.2 | -83.6 | -88.1 | 0 | 0 | 0 | 110.1 | D36 S40 | D36-Y38 CarbonylContact O-C 3.47Å; D36-Y38 PolarHBondContact O-N 3.37Å; Y38-S40 VanDerWaalsContact C-N 3.29Å; Y38-S40 PolarHBondContact O-N 3.4Å | ||
| 39 | G | 41.8 | Very low | 42.2 | Very low | 60 Ų | 60 | 134.9 Ų | 134.9 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | trans | -53.4 | 101.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107 | D36 D37 | D36-G39 PolarHBondContact O-N 3.08Å; D37-G39 PolarHBondContact O-N 3.12Å | ||
| 40 | S | 42.6 | Very low | 42.7 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | 35.1 | 97.2 | 158.3 | -157.1 | 0 | 0 | 0 | 0 | 112.9 | Y38 G42 | Y38-S40 VanDerWaalsContact C-N 3.29Å; Y38-S40 PolarHBondContact O-N 3.4Å; S40-G42 PolarHBondContact O-N 3.03Å | ||
| 41 | H | 40.8 | Very low | 42.8 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | trans | -55.5 | 87.4 | 153.7 | -103.8 | -51.2 | 0 | 0 | 0 | 107.2 | G43 | H41-G43 PolarHBondContact O-N 2.74Š| ||
| 42 | G | 36.9 | Very low | 43.1 | Very low | 58 Ų | 58 | 134.9 Ų | 134.9 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | trans | -53 | 123.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | S40 Y44 | S40-G42 PolarHBondContact O-N 3.03Å; G42-Y44 PolarHBondContact O-N 3.48Å | ||
| 43 | G | 38.2 | Very low | 43.1 | Very low | 51 Ų | 51 | 137.4 Ų | 137.4 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | trans | -44.6 | 139.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | H41 H45 | H41-G43 PolarHBondContact O-N 2.74Å; G43-H45 PolarHBondContact O-N 3.11Å | ||
| 44 | Y | 40.4 | Very low | 43 | Very low | 234 Ų | 234 | 136.7 Ų | 136.7 | 92% | 0.918 | 73% | 0.733 | S | S | * | * | trans | -36.9 | 82 | 157.1 | -17.5 | -91.4 | 0 | 0 | 0 | 109.7 | G42 | G42-Y44 PolarHBondContact O-N 3.48Š| ||
| 45 | H | 44.5 | Very low | 42.8 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | -99.1 | 101.4 | 168.3 | -140.8 | 61 | 0 | 0 | 0 | 105.7 | G43 G47 | G43-H45 PolarHBondContact O-N 3.11Å; H45-G47 PolarHBondContact O-N 3.19Å | ||
| 46 | S | 45.3 | Very low | 42.5 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | -32.8 | 121.9 | 164.8 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | N48 | S46-N48 PolarHBondContact O-N 3.13Š| ||
| 47 | G | 33.7 | Very low | 42.6 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | -51 | 114.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H45 | H45-G47 PolarHBondContact O-N 3.19Š| ||
| 48 | N | 39 | Very low | 42.5 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -95.9 | 101.2 | 152.8 | -152.7 | 22.9 | 0 | 0 | 0 | 105.1 | S46 D50 | S46-N48 PolarHBondContact O-N 3.13Å; N48-D50 PolarHBondContact O-N 3.06Å | ||
| 49 | Y | 41.1 | Very low | 42.1 | Very low | 216 Ų | 216 | 132 Ų | 132 | 85% | 0.847 | 74% | 0.74 | S | S | * | * | trans | -70.4 | 78.3 | 175.5 | -67 | -91.9 | 0 | 0 | 0 | 108.5 | ||||
| 50 | D | 51.8 | Low | 42 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | -98.8 | 92.7 | 163.3 | -145.5 | -3.3 | 0 | 0 | 0 | 108.4 | N48 H52 | N48-D50 PolarHBondContact O-N 3.06Å; D50-H52 PolarHBondContact O-N 2.97Å; D50-H52 IonicContact OD1-CD2 3.6Å; D50-H52 IonicContact OD1-NE2 2.55Å; D50-H52 IonicContact OD2-CD2 2.83Å | ||
| 51 | N | 42.5 | Very low | 41.7 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -78 | 69.3 | -170.5 | -152.9 | -13.3 | 0 | 0 | 0 | 108.6 | P53 | N51-P53 WeakPolarHBondContact O-CD 3.48Š| ||
| 52 | H | 45.9 | Very low | 41.5 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -97.6 | 113.5 | 171.8 | -76.3 | -49.1 | 0 | 0 | 0 | 110.1 | D50 | D50-H52 PolarHBondContact O-N 2.97Å; D50-H52 IonicContact OD1-CD2 3.6Å; D50-H52 IonicContact OD1-NE2 2.55Å; D50-H52 IonicContact OD2-CD2 2.83Å | ||
| 53 | P | 46.2 | Very low | 41.3 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | -56.4 | 140.1 | 179.4 | -23.8 | 33.1 | 0 | 0 | 0 | 112.6 | N51 H55 | N51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-H55 PolarHBondContact O-N 3.02Å | ||
| 54 | Q | 46 | Very low | 41.1 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -47.8 | 130.2 | 172 | -66.5 | 169.7 | -23.2 | 0 | 0 | 112.4 | ||||
| 55 | H | 38.5 | Very low | 40.7 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -105.8 | 120.1 | 147.6 | -85.7 | -85.7 | 0 | 0 | 0 | 107.6 | P53 | P53-H55 PolarHBondContact O-N 3.02Š| ||
| 56 | P | 40.6 | Very low | 40.3 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -62.2 | 143.5 | 170.3 | 25.8 | -32 | 0 | 0 | 0 | 109.5 | A58 | P56-A58 PolarHBondContact O-N 2.95Š| ||
| 57 | P | 48.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -58.3 | 133.8 | 179.5 | 22.6 | -31.3 | 0 | 0 | 0 | 110.2 | H59 | P57-H59 PolarHBondContact O-N 2.96Š| ||
| 58 | A | 45 | Very low | 40.5 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -60.7 | 111.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | P56 N60 | P56-A58 PolarHBondContact O-N 2.95Å; A58-N60 VanDerWaalsContact C-N 3.26Å; A58-N60 PolarHBondContact O-N 2.88Å | ||
| 59 | H | 34.6 | Very low | 40.7 | Very low | 190 Ų | 190 | 135.2 Ų | 135.2 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | trans | -58.9 | 92.6 | 161.3 | -102.4 | -89.7 | 0 | 0 | 0 | 107.8 | P57 | P57-H59 PolarHBondContact O-N 2.96Š| ||
| 60 | N | 40.5 | Very low | 40.8 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -98.1 | 121.5 | 164 | -77 | -40.7 | 0 | 0 | 0 | 108 | A58 | A58-N60 VanDerWaalsContact C-N 3.26Å; A58-N60 PolarHBondContact O-N 2.88Å | ||
| 61 | S | 34.9 | Very low | 40.1 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -52.1 | 154.3 | -170.8 | -52.9 | 0 | 0 | 0 | 0 | 114.8 | G63 | S61-G63 PolarHBondContact O-N 3.46Š| ||
| 62 | P | 37.2 | Very low | 40 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -66.6 | 104.7 | 177.7 | 28.4 | -32.8 | 0 | 0 | 0 | 109.4 | E64 | P62-E64 PolarHBondContact O-N 2.78Š| ||
| 63 | G | 31.8 | Very low | 39.6 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 108.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S61 G65 | S61-G63 PolarHBondContact O-N 3.46Å; G63-G65 PolarHBondContact O-N 2.81Å; G63-G65 VanDerWaalsContact O-N 3.1Å | ||
| 64 | E | 34.3 | Very low | 39.4 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -65.1 | 100.4 | 175.2 | -48.3 | -168.4 | 175.8 | 0 | 0 | 108.6 | P62 | P62-E64 PolarHBondContact O-N 2.78Š| ||
| 65 | G | 33.6 | Very low | 39.2 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -102.1 | 116.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G63 | G63-G65 PolarHBondContact O-N 2.81Å; G63-G65 VanDerWaalsContact O-N 3.1Å | ||
| 66 | E | 35 | Very low | 39.4 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -42.7 | 150 | -174.1 | -83.9 | 172.8 | 114.2 | 0 | 0 | 117.4 | S68 | E66-S68 PolarHBondContact O-N 3.39Š| ||
| 67 | P | 41.7 | Very low | 39.6 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -72.8 | 115.3 | 173.3 | 29.8 | -31.6 | 0 | 0 | 0 | 111.1 | ||||
| 68 | S | 41.1 | Very low | 39.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -62.4 | 134.8 | 170.4 | -67.1 | 0 | 0 | 0 | 0 | 111 | E66 | E66-S68 PolarHBondContact O-N 3.39Š| ||
| 69 | P | 44.4 | Very low | 39.6 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 62% | 0.617 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 157.1 | -175.3 | 24.8 | -33.5 | 0 | 0 | 0 | 113.5 | Y71 | P69-Y71 PolarHBondContact O-N 3.34Å; P69-Y71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | P | 42.3 | Very low | 40.4 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 109.3 | -175 | 29.3 | -33 | 0 | 0 | 0 | 109.7 | ||||
| 71 | Y | 38.3 | Very low | 40.9 | Very low | 216 Ų | 216 | 134.7 Ų | 134.7 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | -72.8 | 127.8 | 165.9 | -87.4 | -89.8 | 0 | 0 | 0 | 109 | P69 | P69-Y71 PolarHBondContact O-N 3.34Å; P69-Y71 VanDerWaalsContact O-N 3.14Å | ||
| 72 | P | 40 | Very low | 41.5 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -75.4 | 146.5 | 177.3 | 30.7 | -32.2 | 0 | 0 | 0 | 111.3 | ||||
| 73 | D | 37.3 | Very low | 42 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -16.9 | 124.4 | 166.6 | -63.2 | -77.2 | 0 | 0 | 0 | 116.7 | ||||
| 74 | D | 41.4 | Very low | 43.1 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -163.2 | -7.6 | 138 | -117.2 | -35.8 | 0 | 0 | 0 | 115.9 | ||||
| 75 | D | 42.4 | Very low | 43.5 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -110.1 | 78.8 | 175.1 | -63.1 | -52 | 0 | 0 | 0 | 110.3 | E77 | D75-E77 PolarHBondContact O-N 3.28Š| ||
| 76 | Q | 42.1 | Very low | 44.4 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -63 | 73.7 | 152.9 | -76.1 | -171.1 | -3.4 | 0 | 0 | 108 | ||||
| 77 | E | 45.1 | Very low | 45.1 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 58% | 0.584 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 124.5 | 161.7 | -95.8 | -166.7 | 161.2 | 0 | 0 | 106.1 | D75 R80 | D75-E77 PolarHBondContact O-N 3.28Å; E77-R80 IonicContact OE2-CZ 2.74Å; E77-R80 IonicContact OE2-NE 3.49Å; E77-R80 PolarHBondContact OE2-NE 2.89Å; E77-R80 IonicContact OE2-NH2 2.69Å; E77-R80 PolarHBondContact OE2-NH2 2.98Å |
| 78 | P | 47.3 | Very low | 45.3 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 146.9 | 172.2 | 23.9 | -32.7 | 0 | 0 | 0 | 108.4 | R80 | P78-R80 PolarHBondContact O-N 3.33Š|
| 79 | P | 46.7 | Very low | 45.9 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 116.1 | -173.4 | 19.5 | -32.6 | 0 | 0 | 0 | 109.2 | A81 | P79-A81 PolarHBondContact O-N 2.91Å; P79-A81 VanDerWaalsContact O-N 3.09Å |
| 80 | R | 51.9 | Low | 46.1 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 125 | 173.8 | -83.1 | -179 | -177.1 | -144 | -3.1 | 106.8 | E77 P78 | E77-R80 IonicContact OE2-CZ 2.74Å; E77-R80 IonicContact OE2-NE 3.49Å; E77-R80 PolarHBondContact OE2-NE 2.89Å; E77-R80 IonicContact OE2-NH2 2.69Å; E77-R80 PolarHBondContact OE2-NH2 2.98Å; P78-R80 PolarHBondContact O-N 3.33Å |
| 81 | A | 49.9 | Very low | 46.3 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 137.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | P79 | P79-A81 PolarHBondContact O-N 2.91Å; P79-A81 VanDerWaalsContact O-N 3.09Å |
| 82 | P | 47.4 | Very low | 46.8 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 143.3 | -177.5 | 21.6 | -32.9 | 0 | 0 | 0 | 109.3 | E84 | P82-E84 PolarHBondContact O-N 3.21Š|
| 83 | P | 48 | Very low | 47.2 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -48 | 128.9 | -179.8 | 19.7 | -31.7 | 0 | 0 | 0 | 108.7 | K85 | P83-K85 PolarHBondContact O-N 3.07Š|
| 84 | E | 55 | Low | 47.2 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 116.4 | 174.6 | -75.1 | -177.5 | 160.8 | 0 | 0 | 107.1 | P82 | P82-E84 PolarHBondContact O-N 3.21Š|
| 85 | K | 43.4 | Very low | 47.3 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 129 | -178.4 | -171.9 | 177.4 | -176.1 | 178.6 | 0 | 106.3 | P83 E87 | P83-K85 PolarHBondContact O-N 3.07Å; K85-E87 PolarHBondContact O-N 2.81Å |
| 86 | P | 52.4 | Low | 47.6 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 122.3 | -176.6 | -1.5 | -8.4 | 0 | 0 | 0 | 108.3 | A88 | P86-A88 PolarHBondContact O-N 2.73Š|
| 87 | E | 49.4 | Very low | 47.7 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | trans | -49.4 | 107.8 | 180 | -143.1 | 168.5 | -173.3 | 0 | 0 | 105.9 | K85 | K85-E87 PolarHBondContact O-N 2.81Š| ||
| 88 | A | 46.5 | Very low | 47.7 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | -57.4 | 138.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | P86 H90 | P86-A88 PolarHBondContact O-N 2.73Å; A88-H90 PolarHBondContact O-N 3.29Å | ||
| 89 | P | 53 | Low | 47.1 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -46.2 | 122.9 | -177.2 | -25.7 | 31.7 | 0 | 0 | 0 | 109 | E91 | P89-E91 PolarHBondContact O-N 3.44Š| ||
| 90 | H | 47.4 | Very low | 46.9 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -47.1 | 106.4 | 179.8 | -148.6 | -62.5 | 0 | 0 | 0 | 107.3 | A88 P92 | A88-H90 PolarHBondContact O-N 3.29Å; H90-P92 WeakPolarHBondContact O-CD 3.38Å; H90-P92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | E | 47 | Very low | 46.7 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -60.4 | 122.3 | 175.7 | -75.2 | -172.1 | 174.7 | 0 | 0 | 105.1 | P89 D93 | P89-E91 PolarHBondContact O-N 3.44Å; E91-D93 PolarHBondContact O-N 3.2Å; E91-D93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | P | 48.3 | Very low | 46.6 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | trans | -61.2 | 124.2 | 178.5 | 23.2 | -29.9 | 0 | 0 | 0 | 106.8 | H90 G94 | H90-P92 WeakPolarHBondContact O-CD 3.38Å; H90-P92 VanDerWaalsContact O-N 3.11Å; P92-G94 PolarHBondContact O-N 3.47Å | ||
| 93 | D | 49.1 | Very low | 46.4 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -67.1 | 56.2 | 163.4 | -68.5 | -49.7 | 0 | 0 | 0 | 108.6 | E91 | E91-D93 PolarHBondContact O-N 3.2Å; E91-D93 VanDerWaalsContact O-N 3.12Å | ||
| 94 | G | 37.2 | Very low | 46.4 | Very low | 42 Ų | 42 | 137.7 Ų | 137.7 | 43% | 0.433 | 72% | 0.716 | S | S | . | * | trans | -105.5 | 87.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | P92 E96 | P92-G94 PolarHBondContact O-N 3.47Å; G94-E96 PolarHBondContact O-N 3.45Å | ||
| 95 | D | 44.8 | Very low | 45.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -60.8 | 38 | 157.8 | 63 | -9.8 | 0 | 0 | 0 | 112.4 | N97 | D95-N97 PolarHBondContact O-N 3.25Š| ||
| 96 | E | 47 | Very low | 46.3 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 62% | 0.621 | 69% | 0.688 | S | S | * | * | trans | -71.1 | 78.4 | 178.1 | -68 | -173.6 | 161.8 | 0 | 0 | 108.5 | G94 Y98 | G94-E96 PolarHBondContact O-N 3.45Å; E96-Y98 HydrophobicContact CB-CD2 3.86Å; E96-Y98 HydrophobicContact CB-CE2 3.71Å; E96-Y98 HydrophobicContact CG-CE2 4.39Å; E96-Y98 PolarHBondContact O-N 3.19Å; E96-Y98 VanDerWaalsContact OE2-CE2 3.3Å; E96-Y98 WeakPolarHBondContact OE2-CE2 3.33Å | ||
| 97 | N | 45.5 | Very low | 46.4 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -49.8 | 68.4 | 153.7 | -179 | 23 | 0 | 0 | 0 | 109.1 | D95 G99 | D95-N97 PolarHBondContact O-N 3.25Å; N97-G99 PolarHBondContact O-N 3.49Å | ||
| 98 | Y | 45.3 | Very low | 46.4 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | trans | -69.4 | 77.2 | 156.7 | -74.2 | -71.6 | 0 | 0 | 0 | 106.9 | E96 R100 | E96-Y98 HydrophobicContact CB-CD2 3.86Å; E96-Y98 HydrophobicContact CB-CE2 3.71Å; E96-Y98 HydrophobicContact CG-CE2 4.39Å; E96-Y98 PolarHBondContact O-N 3.19Å; E96-Y98 VanDerWaalsContact OE2-CE2 3.3Å; E96-Y98 WeakPolarHBondContact OE2-CE2 3.33Å; Y98-R100 PolarHBondContact O-N 3.39Å | ||
| 99 | G | 33.5 | Very low | 46.4 | Very low | 60 Ų | 60 | 136.9 Ų | 136.9 | 62% | 0.619 | 68% | 0.68 | S | S | * | * | trans | -60.2 | 80.8 | 160 | 0 | 0 | 0 | 0 | 0 | 109.2 | N97 P101 | N97-G99 PolarHBondContact O-N 3.49Å; G99-P101 WeakPolarHBondContact O-CD 3.37Å | ||
| 100 | R | 42.8 | Very low | 46.1 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 65% | 0.649 | 67% | 0.666 | S | S | * | * | trans | -106.9 | 92.3 | 147.9 | -158.8 | 168.1 | -167.4 | -82 | 0.3 | 106.7 | Y98 H102 | Y98-R100 PolarHBondContact O-N 3.39Å; R100-H102 VanDerWaalsContact C-N 3.3Å; R100-H102 PolarHBondContact O-CD2 3.46Å; R100-H102 VanDerWaalsContact O-CD2 3.27Å; R100-H102 PolarHBondContact O-N 3Å | ||
| 101 | P | 47.8 | Very low | 46.2 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 51% | 0.506 | 66% | 0.662 | S | S | . | * | trans | -57.1 | 106.5 | 164.4 | 24.5 | -31.6 | 0 | 0 | 0 | 105.7 | G99 Y103 | G99-P101 WeakPolarHBondContact O-CD 3.37Å; P101-Y103 HydrophobicContact CB-CD2 3.9Å; P101-Y103 HydrophobicContact CB-CE2 3.66Å; P101-Y103 HydrophobicContact CG-CD2 3.88Å; P101-Y103 HydrophobicContact CG-CE2 3.47Å; P101-Y103 VanDerWaalsContact CG-CE2 3.47Å; P101-Y103 WeakPolarHBondContact O-CD2 3.31Å; P101-Y103 PolarHBondContact O-N 3.36Å | ||
| 102 | H | 47.1 | Very low | 46.2 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 60% | 0.597 | 66% | 0.659 | S | S | * | * | trans | -66.5 | 86.7 | 168.1 | -75.9 | -97.1 | 0 | 0 | 0 | 105.7 | R100 N104 | R100-H102 VanDerWaalsContact C-N 3.3Å; R100-H102 PolarHBondContact O-CD2 3.46Å; R100-H102 VanDerWaalsContact O-CD2 3.27Å; R100-H102 PolarHBondContact O-N 3Å; H102-N104 PolarHBondContact O-N 2.98Å | ||
| 103 | Y | 44.5 | Very low | 46.5 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | trans | -66.4 | 26.4 | 161.6 | -72.9 | -77.4 | 0 | 0 | 0 | 111.4 | P101 H105 | P101-Y103 HydrophobicContact CB-CD2 3.9Å; P101-Y103 HydrophobicContact CB-CE2 3.66Å; P101-Y103 HydrophobicContact CG-CD2 3.88Å; P101-Y103 HydrophobicContact CG-CE2 3.47Å; P101-Y103 VanDerWaalsContact CG-CE2 3.47Å; P101-Y103 WeakPolarHBondContact O-CD2 3.31Å; P101-Y103 PolarHBondContact O-N 3.36Å; Y103-H105 PolarHBondContact O-N 3.03Å | ||
| 104 | N | 48.5 | Very low | 46.8 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 60% | 0.599 | 64% | 0.637 | S | S | * | * | trans | -74.7 | 59 | 154.9 | -64 | -16.5 | 0 | 0 | 0 | 107.4 | H102 S106 | H102-N104 PolarHBondContact O-N 2.98Å; N104-S106 PolarHBondContact O-N 2.79Å | ||
| 105 | H | 44.4 | Very low | 47.5 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | trans | -63.8 | 73.4 | 141.4 | -67.4 | -55.8 | 0 | 0 | 0 | 105.6 | Y103 R107 | Y103-H105 PolarHBondContact O-N 3.03Å; H105-R107 PolarHBondContact O-N 3.23Å; H105-R107 VanDerWaalsContact O-N 3.12Å | ||
| 106 | S | 51.5 | Low | 48.2 | Very low | 58 Ų | 58 | 132.6 Ų | 132.6 | 41% | 0.406 | 63% | 0.632 | S | S | . | * | trans | -49.6 | 126.3 | 157.4 | 70.5 | 0 | 0 | 0 | 0 | 103.9 | N104 Y108 H109 | N104-S106 PolarHBondContact O-N 2.79Å; S106-Y108 PolarHBondContact O-N 3.35Å; S106-H109 PolarHBondContact O-CD2 3.31Å; S106-H109 PolarHBondContact O-N 3.02Å; S106-H109 PolarHBondContact OG-CD2 3.32Å; S106-H109 VanDerWaalsContact OG-CD2 3.27Å; S106-H109 PolarHBondContact OG-NE2 2.61Å | ||
| 107 | R | 53.4 | Low | 48.8 | Very low | 251 Ų | 251 | 132.2 Ų | 132.2 | 95% | 0.947 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 15.9 | -176.9 | -152.3 | 179.4 | -84.1 | 175.2 | -6.6 | 112.2 | H105 | H105-R107 PolarHBondContact O-N 3.23Å; H105-R107 VanDerWaalsContact O-N 3.12Å |
| 108 | Y | 50 | Low | 49.1 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 13.3 | -170.5 | -87.8 | -81.5 | 0 | 0 | 0 | 113.1 | S106 G110 Y111 | S106-Y108 PolarHBondContact O-N 3.35Å; Y108-G110 PolarHBondContact O-N 2.95Å; Y108-Y111 HydrophobicContact CD1-CD2 4.42Å; Y108-Y111 HydrophobicContact CD1-CE2 4.11Å; Y108-Y111 HydrophobicContact CE1-CE2 4.34Å |
| 109 | H | 47.5 | Very low | 49.9 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | 6.5 | 170.3 | -78.2 | -67.7 | 0 | 0 | 0 | 114.4 | S106 | S106-H109 PolarHBondContact O-CD2 3.31Å; S106-H109 PolarHBondContact O-N 3.02Å; S106-H109 PolarHBondContact OG-CD2 3.32Å; S106-H109 VanDerWaalsContact OG-CD2 3.27Å; S106-H109 PolarHBondContact OG-NE2 2.61Å |
| 110 | G | 46.2 | Very low | 51.1 | Low | 47 Ų | 47 | 125.2 Ų | 125.2 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -4.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y108 | Y108-G110 PolarHBondContact O-N 2.95Š|
| 111 | Y | 49.9 | Very low | 52 | Low | 174 Ų | 174 | 122 Ų | 122 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -12.2 | -174.4 | -62.7 | -70.3 | 0 | 0 | 0 | 114.4 | Y108 | Y108-Y111 HydrophobicContact CD1-CD2 4.42Å; Y108-Y111 HydrophobicContact CD1-CE2 4.11Å; Y108-Y111 HydrophobicContact CE1-CE2 4.34Å |
| 112 | Y | 45.9 | Very low | 52.5 | Low | 184 Ų | 184 | 122.6 Ų | 122.6 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -18.3 | -179.1 | -69.7 | -86.3 | 0 | 0 | 0 | 114.2 | D114 L115 | Y112-D114 PolarHBondContact O-N 3.34Å; Y112-L115 HydrophobicContact CD1-CD1 3.25Å; Y112-L115 HydrophobicContact CE1-CD1 3.84Å; Y112-L115 HydrophobicContact CG-CD1 4.17Å; Y112-L115 WeakPolarHBondContact O-CB 3.3Å; Y112-L115 PolarHBondContact O-N 3Å |
| 113 | D | 54.7 | Low | 53 | Low | 135 Ų | 135 | 123.4 Ų | 123.4 | 72% | 0.722 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -24.8 | 172.1 | -90 | -3.9 | 0 | 0 | 0 | 112 | L115 | D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.38Å |
| 114 | D | 55.7 | Low | 53.7 | Low | 73 Ų | 73 | 121.3 Ų | 121.3 | 39% | 0.39 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -11.6 | 180 | -57.5 | 0.4 | 0 | 0 | 0 | 112.2 | Y112 D116 K117 Y118 | Y112-D114 PolarHBondContact O-N 3.34Å; D114-D116 PolarHBondContact O-N 3.4Å; D114-K117 CarbonylContact O-C 3.49Å; D114-K117 WeakPolarHBondContact O-CA 3.14Å; D114-K117 VanDerWaalsContact O-CB 3.28Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 2.84Å; D114-Y118 HydrophobicContact CB-CD2 3.96Å; D114-Y118 HydrophobicContact CB-CE2 3.72Å; D114-Y118 WeakPolarHBondContact O-CD2 3.28Å; D114-Y118 PolarHBondContact O-N 3.19Å |
| 115 | L | 51.4 | Low | 54 | Low | 78 Ų | 78 | 119.4 Ų | 119.4 | 41% | 0.408 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -36.2 | -178.6 | -102.8 | 149 | 0 | 0 | 0 | 111.4 | Y112 D113 K117 Y118 D119 | Y112-L115 HydrophobicContact CD1-CD1 3.25Å; Y112-L115 HydrophobicContact CE1-CD1 3.84Å; Y112-L115 HydrophobicContact CG-CD1 4.17Å; Y112-L115 WeakPolarHBondContact O-CB 3.3Å; Y112-L115 PolarHBondContact O-N 3Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.38Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-Y118 PolarHBondContact O-N 3.47Å; L115-D119 WeakPolarHBondContact O-CB 3.44Å; L115-D119 PolarHBondContact O-N 3.02Å |
| 116 | D | 60.6 | Low | 54.6 | Low | 132 Ų | 132 | 117.8 Ų | 117.8 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -29.9 | 172.6 | -73.7 | -12.4 | 0 | 0 | 0 | 112.2 | D114 S120 | D114-D116 PolarHBondContact O-N 3.4Å; D116-S120 PolarHBondContact O-N 3.41Å |
| 117 | K | 58.4 | Low | 54.7 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 54% | 0.543 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.4 | -41.7 | 176.4 | -166.9 | -176 | 177.4 | -65 | 0 | 111.8 | D114 L115 D119 S120 E121 | D114-K117 CarbonylContact O-C 3.49Å; D114-K117 WeakPolarHBondContact O-CA 3.14Å; D114-K117 VanDerWaalsContact O-CB 3.28Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 2.84Å; L115-K117 PolarHBondContact O-N 3.49Å; K117-D119 PolarHBondContact O-N 2.82Å; K117-S120 PolarHBondContact O-N 3.41Å; K117-S120 PolarHBondContact O-OG 3.17Å; K117-E121 IonicContact NZ-OE1 3.44Å; K117-E121 PolarHBondContact NZ-OE1 3.01Å; K117-E121 PolarHBondContact O-N 3.08Å |
| 118 | Y | 52.8 | Low | 55 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 54% | 0.537 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.5 | -34.2 | 171.6 | -72.9 | -72.1 | 0 | 0 | 0 | 110.8 | D114 L115 S120 E121 L122 | D114-Y118 HydrophobicContact CB-CD2 3.96Å; D114-Y118 HydrophobicContact CB-CE2 3.72Å; D114-Y118 WeakPolarHBondContact O-CD2 3.28Å; D114-Y118 PolarHBondContact O-N 3.19Å; L115-Y118 PolarHBondContact O-N 3.47Å; Y118-S120 VanDerWaalsContact C-N 3.33Å; Y118-S120 PolarHBondContact O-N 2.68Å; Y118-E121 PolarHBondContact O-N 2.88Å; Y118-L122 WeakPolarHBondContact O-CB 3.42Å; Y118-L122 WeakPolarHBondContact O-CG 3.22Å; Y118-L122 PolarHBondContact O-N 2.98Å |
| 119 | D | 60.9 | Low | 55.1 | Low | 50 Ų | 50 | 107.2 Ų | 107.2 | 27% | 0.267 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 176.9 | -99.7 | 12.6 | 0 | 0 | 0 | 112.4 | L115 K117 R123 | L115-D119 WeakPolarHBondContact O-CB 3.44Å; L115-D119 PolarHBondContact O-N 3.02Å; K117-D119 PolarHBondContact O-N 2.82Å; D119-R123 WeakPolarHBondContact O-CA 3.31Å; D119-R123 WeakPolarHBondContact O-CB 2.86Å; D119-R123 VanDerWaalsContact O-CD 3.28Å; D119-R123 WeakPolarHBondContact O-CD 3.27Å; D119-R123 WeakPolarHBondContact O-CG 3.48Å; D119-R123 PolarHBondContact O-N 3.07Å; D119-R123 IonicContact OD2-CZ 3.95Å; D119-R123 IonicContact OD2-NE 3.69Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; D119-R123 IonicContact OD2-NH2 3.35Å; D119-R123 PolarHBondContact OD2-NH2 3.42Å |
| 120 | S | 59.4 | Low | 55.2 | Low | 67 Ų | 67 | 108.6 Ų | 108.6 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -43.5 | 177 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | D116 K117 Y118 E124 | D116-S120 PolarHBondContact O-N 3.41Å; K117-S120 PolarHBondContact O-N 3.41Å; K117-S120 PolarHBondContact O-OG 3.17Å; Y118-S120 VanDerWaalsContact C-N 3.33Å; Y118-S120 PolarHBondContact O-N 2.68Å; S120-E124 WeakPolarHBondContact O-CB 3.26Å; S120-E124 PolarHBondContact O-N 3.13Å |
| 121 | E | 61.4 | Low | 55.4 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.5 | -40.8 | 178.1 | -67 | 177.4 | -155 | 0 | 0 | 111.7 | K117 Y118 L125 | K117-E121 IonicContact NZ-OE1 3.44Å; K117-E121 PolarHBondContact NZ-OE1 3.01Å; K117-E121 PolarHBondContact O-N 3.08Å; Y118-E121 PolarHBondContact O-N 2.88Å; E121-L125 WeakPolarHBondContact O-CB 3.48Å; E121-L125 PolarHBondContact O-N 2.8Å |
| 122 | L | 58.7 | Low | 55.5 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 48% | 0.476 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.6 | -38 | 175.5 | -72.4 | 171.9 | 0 | 0 | 0 | 112.1 | Y118 E124 L125 V126 | Y118-L122 WeakPolarHBondContact O-CB 3.42Å; Y118-L122 WeakPolarHBondContact O-CG 3.22Å; Y118-L122 PolarHBondContact O-N 2.98Å; L122-E124 VanDerWaalsContact C-N 3.32Å; L122-L125 PolarHBondContact O-N 3.09Å; L122-V126 WeakPolarHBondContact O-CB 3.13Å; L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 3.24Å |
| 123 | R | 57 | Low | 55.6 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -42.8 | 172.6 | -76.2 | 168.7 | -152.4 | -134.6 | 12.1 | 110 | D119 L125 V126 L127 | D119-R123 WeakPolarHBondContact O-CA 3.31Å; D119-R123 WeakPolarHBondContact O-CB 2.86Å; D119-R123 VanDerWaalsContact O-CD 3.28Å; D119-R123 WeakPolarHBondContact O-CD 3.27Å; D119-R123 WeakPolarHBondContact O-CG 3.48Å; D119-R123 PolarHBondContact O-N 3.07Å; D119-R123 IonicContact OD2-CZ 3.95Å; D119-R123 IonicContact OD2-NE 3.69Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; D119-R123 IonicContact OD2-NH2 3.35Å; D119-R123 PolarHBondContact OD2-NH2 3.42Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-V126 PolarHBondContact O-N 3.5Å; R123-L127 HydrophobicContact CB-CD1 4.15Å; R123-L127 WeakPolarHBondContact O-CB 3.29Å; R123-L127 VanDerWaalsContact O-CD1 3.28Å; R123-L127 WeakPolarHBondContact O-CD1 3.36Å; R123-L127 WeakPolarHBondContact O-CG 2.98Å; R123-L127 PolarHBondContact O-N 3.49Å |
| 124 | E | 59.7 | Low | 55.5 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.1 | -40 | 176.1 | -167.9 | 175.6 | -168.8 | 0 | 0 | 111.3 | S120 L122 L127 S128 | S120-E124 WeakPolarHBondContact O-CB 3.26Å; S120-E124 PolarHBondContact O-N 3.13Å; L122-E124 VanDerWaalsContact C-N 3.32Å; E124-L127 PolarHBondContact O-N 3.48Å; E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 3.06Å; E124-S128 PolarHBondContact O-OG 2.69Å |
| 125 | L | 53.9 | Low | 55.2 | Low | 72 Ų | 72 | 121 Ų | 121 | 38% | 0.377 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.5 | -42.5 | 176.3 | -167.1 | 69.3 | 0 | 0 | 0 | 112.5 | E121 L122 R123 S128 Y132 | E121-L125 WeakPolarHBondContact O-CB 3.48Å; E121-L125 PolarHBondContact O-N 2.8Å; L122-L125 PolarHBondContact O-N 3.09Å; R123-L125 VanDerWaalsContact C-N 3.34Å; L125-S128 PolarHBondContact O-OG 3.21Å; L125-Y132 HydrophobicContact CD1-CD2 4.31Å; L125-Y132 HydrophobicContact CD2-CD2 4.28Å |
| 126 | V | 56.8 | Low | 55 | Low | 119 Ų | 119 | 126.5 Ų | 126.5 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.7 | -38.8 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L122 R123 | L122-V126 WeakPolarHBondContact O-CB 3.13Å; L122-V126 WeakPolarHBondContact O-CG2 3.35Å; L122-V126 PolarHBondContact O-N 3.24Å; R123-V126 PolarHBondContact O-N 3.5Å |
| 127 | L | 55.2 | Low | 54.2 | Low | 145 Ų | 145 | 130.6 Ų | 130.6 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -79 | -34.1 | -178.7 | -73.2 | 160.8 | 0 | 0 | 0 | 113 | R123 E124 G129 | R123-L127 HydrophobicContact CB-CD1 4.15Å; R123-L127 WeakPolarHBondContact O-CB 3.29Å; R123-L127 VanDerWaalsContact O-CD1 3.28Å; R123-L127 WeakPolarHBondContact O-CD1 3.36Å; R123-L127 WeakPolarHBondContact O-CG 2.98Å; R123-L127 PolarHBondContact O-N 3.49Å; E124-L127 PolarHBondContact O-N 3.48Å; L127-G129 PolarHBondContact O-N 3.17Å |
| 128 | S | 59 | Low | 53.6 | Low | 53 Ų | 53 | 134.2 Ų | 134.2 | 37% | 0.371 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -71.3 | -10.7 | -178.3 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | E124 L125 H130 | E124-S128 WeakPolarHBondContact O-CB 3.32Å; E124-S128 PolarHBondContact O-N 3.06Å; E124-S128 PolarHBondContact O-OG 2.69Å; L125-S128 PolarHBondContact O-OG 3.21Å; S128-H130 PolarHBondContact O-N 2.91Å |
| 129 | G | 52.5 | Low | 53 | Low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | trans | 60 | 5.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L127 R131 | L127-G129 PolarHBondContact O-N 3.17Å; G129-R131 PolarHBondContact O-N 2.97Å | ||
| 130 | H | 48.7 | Very low | 52.2 | Low | 145 Ų | 145 | 137.3 Ų | 137.3 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | trans | -82.5 | 101.2 | 177.3 | -75.8 | -27.6 | 0 | 0 | 0 | 106.9 | S128 Y132 | S128-H130 PolarHBondContact O-N 2.91Å; H130-Y132 PolarHBondContact O-N 3.01Å | ||
| 131 | R | 50.7 | Low | 51.2 | Low | 230 Ų | 230 | 136.4 Ų | 136.4 | 87% | 0.868 | 66% | 0.656 | S | S | * | * | trans | -34.7 | 112.4 | 161.2 | -70.8 | -177.3 | -91.8 | -147.2 | -3.4 | 107.4 | G129 K133 | G129-R131 PolarHBondContact O-N 2.97Å; R131-K133 PolarHBondContact O-N 2.87Å | ||
| 132 | Y | 51.3 | Low | 50.2 | Low | 172 Ų | 172 | 142.1 Ų | 142.1 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -48.1 | 104.3 | 175.3 | 174.7 | -97.4 | 0 | 0 | 0 | 107.6 | L125 H130 P134 | L125-Y132 HydrophobicContact CD1-CD2 4.31Å; L125-Y132 HydrophobicContact CD2-CD2 4.28Å; H130-Y132 PolarHBondContact O-N 3.01Å; Y132-P134 HydrophobicContact CE1-CB 3.89Å; Y132-P134 HydrophobicContact CE1-CG 4.28Å; Y132-P134 VanDerWaalsContact O-CD 3.26Å; Y132-P134 WeakPolarHBondContact O-CD 3.16Å | ||
| 133 | K | 47.8 | Very low | 49.3 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | trans | -91 | 104.9 | 168.6 | -85.5 | -171.4 | 173.1 | -172.3 | 0 | 104.4 | R131 R135 | R131-K133 PolarHBondContact O-N 2.87Å; K133-R135 PolarHBondContact O-N 3.38Å | ||
| 134 | P | 54.3 | Low | 48.9 | Very low | 53 Ų | 53 | 141.8 Ų | 141.8 | 34% | 0.344 | 70% | 0.699 | S | S | . | * | trans | -52.1 | 123.3 | 170 | 18.1 | -26.5 | 0 | 0 | 0 | 107.1 | Y132 Y136 | Y132-P134 HydrophobicContact CE1-CB 3.89Å; Y132-P134 HydrophobicContact CE1-CG 4.28Å; Y132-P134 VanDerWaalsContact O-CD 3.26Å; Y132-P134 WeakPolarHBondContact O-CD 3.16Å; P134-Y136 HydrophobicContact CB-CE2 4.39Å; P134-Y136 HydrophobicContact CG-CE2 3.8Å; P134-Y136 VanDerWaalsContact O-CD2 3.27Å; P134-Y136 WeakPolarHBondContact O-CD2 3.39Å; P134-Y136 PolarHBondContact O-N 3Å | ||
| 135 | R | 49 | Very low | 48.2 | Very low | 235 Ų | 235 | 142.6 Ų | 142.6 | 89% | 0.887 | 71% | 0.713 | S | S | * | * | trans | -69 | 92.5 | 168.5 | -71.5 | -175.2 | -177.2 | -173.3 | 1.3 | 105.1 | K133 Y137 | K133-R135 PolarHBondContact O-N 3.38Å; R135-Y137 PolarHBondContact O-N 3.17Å | ||
| 136 | Y | 46.7 | Very low | 47.8 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | -54.9 | 114.1 | 162.6 | -66 | -87.3 | 0 | 0 | 0 | 105.1 | P134 E138 | P134-Y136 HydrophobicContact CB-CE2 4.39Å; P134-Y136 HydrophobicContact CG-CE2 3.8Å; P134-Y136 VanDerWaalsContact O-CD2 3.27Å; P134-Y136 WeakPolarHBondContact O-CD2 3.39Å; P134-Y136 PolarHBondContact O-N 3Å; Y136-E138 PolarHBondContact O-N 2.8Å | ||
| 137 | Y | 44.6 | Very low | 47.2 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | trans | -55.1 | 112.8 | 168.4 | -93.2 | -102.2 | 0 | 0 | 0 | 105.7 | R135 G139 | R135-Y137 PolarHBondContact O-N 3.17Å; Y137-G139 PolarHBondContact O-N 2.94Å | ||
| 138 | E | 46 | Very low | 46.8 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 94% | 0.939 | 72% | 0.716 | S | S | * | * | trans | -68.2 | 38.4 | 160.2 | -67.7 | 176.9 | 172.5 | 0 | 0 | 109.8 | Y136 | Y136-E138 PolarHBondContact O-N 2.8Š| ||
| 139 | G | 40.4 | Very low | 46.3 | Very low | 46 Ų | 46 | 145.9 Ų | 145.9 | 47% | 0.474 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -84.7 | 111.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | Y137 G141 | Y137-G139 PolarHBondContact O-N 2.94Å; G139-G141 WeakPolarHBondContact O-CA 3.09Å; G139-G141 PolarHBondContact O-N 3.28Å |
| 140 | E | 42.1 | Very low | 46 | Very low | 206 Ų | 206 | 152 Ų | 152 | 96% | 0.963 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -30.4 | 94.4 | 169.7 | -60.4 | -179.7 | 168.9 | 0 | 0 | 111.5 | ||
| 141 | G | 38.8 | Very low | 46.2 | Very low | 48 Ų | 48 | 151.6 Ų | 151.6 | 50% | 0.495 | 73% | 0.733 | S | S | . | * | trans | -171.4 | 72 | -161.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G139 G143 | G139-G141 WeakPolarHBondContact O-CA 3.09Å; G139-G141 PolarHBondContact O-N 3.28Å; G141-G143 PolarHBondContact O-N 2.98Å | ||
| 142 | Y | 41.6 | Very low | 46.3 | Very low | 224 Ų | 224 | 148.5 Ų | 148.5 | 88% | 0.878 | 73% | 0.726 | S | S | * | * | trans | 37.3 | 63.6 | 154.7 | -44.1 | -86.7 | 0 | 0 | 0 | 113.3 | L144 | Y142-L144 PolarHBondContact O-N 2.91Š| ||
| 143 | G | 39.7 | Very low | 46.6 | Very low | 65 Ų | 65 | 149.4 Ų | 149.4 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | trans | -51.8 | 117.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | G141 V145 | G141-G143 PolarHBondContact O-N 2.98Å; G143-V145 WeakPolarHBondContact O-CG2 3.2Å; G143-V145 PolarHBondContact O-N 3.23Å | ||
| 144 | L | 48.6 | Very low | 47.1 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | trans | -60.9 | 92.5 | 177.9 | -71.6 | 173.6 | 0 | 0 | 0 | 107.2 | Y142 G146 | Y142-L144 PolarHBondContact O-N 2.91Å; L144-G146 PolarHBondContact O-N 3.27Å | ||
| 145 | V | 45.3 | Very low | 47.5 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 95% | 0.952 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 90.2 | 168.5 | -177.3 | 0 | 0 | 0 | 0 | 105.5 | G143 | G143-V145 WeakPolarHBondContact O-CG2 3.2Å; G143-V145 PolarHBondContact O-N 3.23Å |
| 146 | G | 43.8 | Very low | 48.4 | Very low | 25 Ų | 25 | 143.5 Ų | 143.5 | 26% | 0.258 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -168.7 | -25.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | L144 E148 T149 | L144-G146 PolarHBondContact O-N 3.27Å; G146-E148 VanDerWaalsContact C-N 3.27Å; G146-E148 PolarHBondContact O-N 3.4Å; G146-T149 PolarHBondContact O-N 3.33Å; G146-T149 PolarHBondContact O-OG1 3.12Å |
| 147 | E | 44.8 | Very low | 49.4 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -64.6 | -28.2 | -177.1 | -80 | -158.7 | 170.5 | 0 | 0 | 114.4 | T149 Y150 | E147-T149 PolarHBondContact O-N 2.62Å; E147-Y150 HydrophobicContact CB-CD2 4.36Å; E147-Y150 HydrophobicContact CB-CE2 4.39Å; E147-Y150 HydrophobicContact CG-CD2 4.25Å; E147-Y150 HydrophobicContact CG-CE2 3.89Å; E147-Y150 WeakPolarHBondContact O-CD2 3.34Å |
| 148 | E | 48 | Very low | 51 | Low | 197 Ų | 197 | 133.1 Ų | 133.1 | 92% | 0.921 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -73 | -9.4 | 177.2 | -68.2 | -175.6 | 171.5 | 0 | 0 | 113.7 | G146 | G146-E148 VanDerWaalsContact C-N 3.27Å; G146-E148 PolarHBondContact O-N 3.4Å |
| 149 | T | 48.1 | Very low | 52.6 | Low | 76 Ų | 76 | 125.9 Ų | 125.9 | 47% | 0.466 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -102 | 3.9 | -180 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | G146 E147 V151 K152 | G146-T149 PolarHBondContact O-N 3.33Å; G146-T149 PolarHBondContact O-OG1 3.12Å; E147-T149 PolarHBondContact O-N 2.62Å; T149-V151 PolarHBondContact O-N 2.76Å; T149-K152 WeakPolarHBondContact O-CB 3.4Å; T149-K152 PolarHBondContact O-N 3.38Å |
| 150 | Y | 46.1 | Very low | 54.6 | Low | 192 Ų | 192 | 127.8 Ų | 127.8 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 3.8 | 177.3 | -75.4 | -76.6 | 0 | 0 | 0 | 115.1 | E147 | E147-Y150 HydrophobicContact CB-CD2 4.36Å; E147-Y150 HydrophobicContact CB-CE2 4.39Å; E147-Y150 HydrophobicContact CG-CD2 4.25Å; E147-Y150 HydrophobicContact CG-CE2 3.89Å; E147-Y150 WeakPolarHBondContact O-CD2 3.34Å |
| 151 | V | 52.7 | Low | 56.5 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 83% | 0.83 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 3.6 | 166.8 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | T149 K153 | T149-V151 PolarHBondContact O-N 2.76Å; V151-K153 PolarHBondContact O-N 3.41Å |
| 152 | K | 52.9 | Low | 58.5 | Low | 165 Ų | 165 | 126.3 Ų | 126.3 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -73.4 | 103.6 | 166.6 | -81.1 | -178.9 | 176.3 | 173.9 | 0 | 107.9 | T149 | T149-K152 WeakPolarHBondContact O-CB 3.4Å; T149-K152 PolarHBondContact O-N 3.38Å |
| 153 | K | 56.5 | Low | 60.4 | Low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.826 | 64% | 0.635 | S | S | * | * | trans | -38.9 | 135.2 | 159.8 | -70.6 | -179.3 | 178.8 | 178.9 | 0 | 108.5 | V151 K155 | V151-K153 PolarHBondContact O-N 3.41Å; K153-K155 PolarHBondContact O-N 3.25Å | ||
| 154 | P | 59.3 | Low | 62.2 | Low | 55 Ų | 55 | 123 Ų | 123 | 36% | 0.357 | 63% | 0.626 | S | S | . | * | trans | -51.3 | 135.5 | -179.9 | -7.9 | 9 | 0 | 0 | 0 | 109.7 | D156 Y160 | P154-D156 PolarHBondContact O-N 3.49Å; P154-D156 VanDerWaalsContact O-N 3.08Å; P154-Y160 HydrophobicContact CB-CD2 3.34Å; P154-Y160 HydrophobicContact CB-CE2 3.55Å; P154-Y160 HydrophobicContact CB-CG 3.98Å; P154-Y160 HydrophobicContact CG-CD2 4.02Å; P154-Y160 HydrophobicContact CG-CG 4.16Å | ||
| 155 | K | 62.4 | Low | 63.8 | Low | 205 Ų | 205 | 119.7 Ų | 119.7 | 89% | 0.891 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -50.6 | -36.2 | -179.2 | -86 | 175.1 | 174.5 | 176.1 | 0 | 111.8 | K153 | K153-K155 PolarHBondContact O-N 3.25Š|
| 156 | D | 67.5 | Low | 65.6 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 48% | 0.476 | 59% | 0.588 | S | S | . | * | trans | -129.7 | 100.1 | 176.9 | -63.7 | -49.5 | 0 | 0 | 0 | 109.5 | P154 S158 K159 Y160 | P154-D156 PolarHBondContact O-N 3.49Å; P154-D156 VanDerWaalsContact O-N 3.08Å; D156-S158 PolarHBondContact O-N 2.87Å; D156-S158 VanDerWaalsContact O-N 3.12Å; D156-K159 HydrophobicContact CB-CB 4.2Å; D156-K159 HydrophobicContact CB-CG 3.62Å; D156-K159 WeakPolarHBondContact O-CB 3.34Å; D156-K159 PolarHBondContact O-N 3.02Å; D156-Y160 WeakPolarHBondContact O-CD2 2.94Å | ||
| 157 | P | 69 | Low | 67.4 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -62.7 | -19 | -179.7 | 23.8 | -32.6 | 0 | 0 | 0 | 113 | K159 Y160 | P157-K159 VanDerWaalsContact C-N 3.3Å; P157-Y160 PolarHBondContact O-N 2.67Å |
| 158 | S | 77.7 | Confident | 69 | Low | 94 Ų | 94 | 116 Ų | 116 | 66% | 0.657 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -72.3 | -22.4 | 174.4 | 59 | 0 | 0 | 0 | 0 | 113.8 | D156 Y160 | D156-S158 PolarHBondContact O-N 2.87Å; D156-S158 VanDerWaalsContact O-N 3.12Å; S158-Y160 PolarHBondContact O-N 3.06Å |
| 159 | K | 80.4 | Confident | 70.2 | Confident | 49 Ų | 49 | 109.7 Ų | 109.7 | 21% | 0.213 | 55% | 0.549 | C | S | . | . | G | 310 helix | trans | -81.4 | -3.7 | 176.5 | -63.4 | -68 | 179.7 | 173.9 | 0 | 112.7 | D156 P157 Y166 I167 D169 | D156-K159 HydrophobicContact CB-CB 4.2Å; D156-K159 HydrophobicContact CB-CG 3.62Å; D156-K159 WeakPolarHBondContact O-CB 3.34Å; D156-K159 PolarHBondContact O-N 3.02Å; P157-K159 VanDerWaalsContact C-N 3.3Å; K159-Y166 HydrophobicContact CB-CD2 4.1Å; K159-Y166 HydrophobicContact CB-CE2 3.86Å; K159-Y166 HydrophobicContact CD-CE2 4.23Å; K159-Y166 HydrophobicContact CG-CE2 4.4Å; K159-Y166 CarbonylContact O-C 3.48Å; K159-Y166 VanDerWaalsContact O-CA 3.29Å; K159-Y166 WeakPolarHBondContact O-CA 3.2Å; K159-Y166 VanDerWaalsContact O-CD2 3.29Å; K159-Y166 WeakPolarHBondContact O-CD2 3.49Å; K159-I167 PolarHBondContact O-N 3.21Å; K159-D169 IonicContact NZ-OD1 3.88Å; K159-D169 PolarHBondContact NZ-OD1 2.92Å; K159-D169 IonicContact NZ-OD2 3.5Å; K159-D169 PolarHBondContact NZ-OD2 2.88Å |
| 160 | Y | 81.9 | Confident | 71 | Confident | 86 Ų | 86 | 115.9 Ų | 115.9 | 34% | 0.337 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -128.7 | 144.8 | -177.4 | -66 | -94 | 0 | 0 | 0 | 109.6 | P154 D156 P157 S158 G164 N165 Y166 | P154-Y160 HydrophobicContact CB-CD2 3.34Å; P154-Y160 HydrophobicContact CB-CE2 3.55Å; P154-Y160 HydrophobicContact CB-CG 3.98Å; P154-Y160 HydrophobicContact CG-CD2 4.02Å; P154-Y160 HydrophobicContact CG-CG 4.16Å; D156-Y160 WeakPolarHBondContact O-CD2 2.94Å; P157-Y160 PolarHBondContact O-N 2.67Å; S158-Y160 PolarHBondContact O-N 3.06Å; Y160-G164 VanDerWaalsContact CD1-O 3.29Å; Y160-G164 WeakPolarHBondContact CD1-O 3.32Å; Y160-N165 CarbonylContact C-O 3.51Å; Y160-N165 WeakPolarHBondContact CA-O 3.28Å; Y160-Y166 HydrophobicContact CE1-CD2 4.29Å; Y160-Y166 HydrophobicContact CE2-CD2 4.32Å |
| 161 | D | 80.7 | Confident | 71.8 | Confident | 54 Ų | 54 | 115.6 Ų | 115.6 | 29% | 0.289 | 57% | 0.571 | S | S | . | * | trans | -73.2 | 174.4 | 169.4 | 72.5 | 9.3 | 0 | 0 | 0 | 110.6 | Y163 G164 N165 I167 | D161-Y163 PolarHBondContact O-N 2.82Å; D161-Y163 VanDerWaalsContact OD1-C 3.31Å; D161-Y163 VanDerWaalsContact OD1-CA 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CA 2.97Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.2Å; D161-Y163 PolarHBondContact OD1-N 3.48Å; D161-G164 PolarHBondContact O-N 2.79Å; D161-G164 PolarHBondContact OD1-N 3.23Å; D161-N165 PolarHBondContact N-O 3.12Å; D161-N165 PolarHBondContact OD1-N 3.41Å; D161-N165 PolarHBondContact OD1-ND2 2.72Å; D161-N165 WeakPolarHBondContact OD2-CB 3.28Å; D161-N165 PolarHBondContact OD2-ND2 2.8Å; D161-I167 HydrophobicContact CB-CD1 4.23Å; D161-I167 HydrophobicContact CB-CG1 4.22Å | ||
| 162 | Q | 81.9 | Confident | 72.1 | Confident | 169 Ų | 169 | 113.1 Ų | 113.1 | 79% | 0.79 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -15.3 | 177 | 66.2 | -173.4 | -38.9 | 0 | 0 | 114.3 | ||
| 163 | Y | 80.3 | Confident | 72.5 | Confident | 174 Ų | 174 | 110.6 Ų | 110.6 | 68% | 0.682 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -1.5 | 179.3 | -52.8 | -69.9 | 0 | 0 | 0 | 112.3 | D161 | D161-Y163 PolarHBondContact O-N 2.82Å; D161-Y163 VanDerWaalsContact OD1-C 3.31Å; D161-Y163 VanDerWaalsContact OD1-CA 3.3Å; D161-Y163 WeakPolarHBondContact OD1-CA 2.97Å; D161-Y163 WeakPolarHBondContact OD1-CB 3.2Å; D161-Y163 PolarHBondContact OD1-N 3.48Å |
| 164 | G | 78.4 | Confident | 72.8 | Confident | 45 Ų | 45 | 109.4 Ų | 109.4 | 46% | 0.464 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 81.9 | 16.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y160 D161 | Y160-G164 VanDerWaalsContact CD1-O 3.29Å; Y160-G164 WeakPolarHBondContact CD1-O 3.32Å; D161-G164 PolarHBondContact O-N 2.79Å; D161-G164 PolarHBondContact OD1-N 3.23Å |
| 165 | N | 81.9 | Confident | 73.3 | Confident | 95 Ų | 95 | 112 Ų | 112 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | trans | -86.2 | 136.6 | 171.9 | -52.1 | -55.8 | 0 | 0 | 0 | 110.3 | Y160 D161 I167 | Y160-N165 CarbonylContact C-O 3.51Å; Y160-N165 WeakPolarHBondContact CA-O 3.28Å; D161-N165 PolarHBondContact N-O 3.12Å; D161-N165 PolarHBondContact OD1-N 3.41Å; D161-N165 PolarHBondContact OD1-ND2 2.72Å; D161-N165 WeakPolarHBondContact OD2-CB 3.28Å; D161-N165 PolarHBondContact OD2-ND2 2.8Å; N165-I167 PolarHBondContact O-N 2.82Å | ||
| 166 | Y | 83.8 | Confident | 73.6 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 51% | 0.51 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -64.9 | 128.5 | 178.7 | -177.4 | -102.2 | 0 | 0 | 0 | 111.3 | K159 Y160 P168 | K159-Y166 HydrophobicContact CB-CD2 4.1Å; K159-Y166 HydrophobicContact CB-CE2 3.86Å; K159-Y166 HydrophobicContact CD-CE2 4.23Å; K159-Y166 HydrophobicContact CG-CE2 4.4Å; K159-Y166 CarbonylContact O-C 3.48Å; K159-Y166 VanDerWaalsContact O-CA 3.29Å; K159-Y166 WeakPolarHBondContact O-CA 3.2Å; K159-Y166 VanDerWaalsContact O-CD2 3.29Å; K159-Y166 WeakPolarHBondContact O-CD2 3.49Å; Y160-Y166 HydrophobicContact CE1-CD2 4.29Å; Y160-Y166 HydrophobicContact CE2-CD2 4.32Å; Y166-P168 HydrophobicContact CE1-CB 4.48Å; Y166-P168 WeakPolarHBondContact O-CD 3.1Å |
| 167 | I | 82.2 | Confident | 73.9 | Confident | 77 Ų | 77 | 108.6 Ų | 108.6 | 40% | 0.395 | 58% | 0.577 | S | S | . | * | trans | -88.6 | 111.7 | 172 | -58.2 | 171.6 | 0 | 0 | 0 | 106.9 | K159 D161 N165 D169 | K159-I167 PolarHBondContact O-N 3.21Å; D161-I167 HydrophobicContact CB-CD1 4.23Å; D161-I167 HydrophobicContact CB-CG1 4.22Å; N165-I167 PolarHBondContact O-N 2.82Å; I167-D169 PolarHBondContact O-N 3.28Å | ||
| 168 | P | 77.6 | Confident | 74.1 | Confident | 58 Ų | 58 | 109.2 Ų | 109.2 | 38% | 0.377 | 58% | 0.581 | S | S | . | * | trans | -65.2 | 127 | 177.7 | -17.8 | 31.2 | 0 | 0 | 0 | 111.1 | Y166 Y170 | Y166-P168 HydrophobicContact CE1-CB 4.48Å; Y166-P168 WeakPolarHBondContact O-CD 3.1Å; P168-Y170 HydrophobicContact CB-CE1 4.4Å; P168-Y170 HydrophobicContact CB-CE2 4.09Å; P168-Y170 HydrophobicContact CG-CE2 4.45Å; P168-Y170 VanDerWaalsContact O-CD2 3.26Å; P168-Y170 WeakPolarHBondContact O-CD2 3.45Å; P168-Y170 PolarHBondContact O-N 3.42Å; P168-Y170 VanDerWaalsContact O-N 3.11Å | ||
| 169 | D | 72.2 | Confident | 74.2 | Confident | 63 Ų | 63 | 110 Ų | 110 | 34% | 0.337 | 58% | 0.584 | S | S | . | * | trans | -70.6 | 102.5 | 165.3 | -85.6 | 34.1 | 0 | 0 | 0 | 109.4 | K159 I167 Q171 | K159-D169 IonicContact NZ-OD1 3.88Å; K159-D169 PolarHBondContact NZ-OD1 2.92Å; K159-D169 IonicContact NZ-OD2 3.5Å; K159-D169 PolarHBondContact NZ-OD2 2.88Å; I167-D169 PolarHBondContact O-N 3.28Å; D169-Q171 PolarHBondContact O-N 2.77Å | ||
| 170 | Y | 66.7 | Low | 74 | Confident | 207 Ų | 207 | 113.5 Ų | 113.5 | 81% | 0.812 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -3 | 173.1 | -64.2 | -77.6 | 0 | 0 | 0 | 113.4 | P168 | P168-Y170 HydrophobicContact CB-CE1 4.4Å; P168-Y170 HydrophobicContact CB-CE2 4.09Å; P168-Y170 HydrophobicContact CG-CE2 4.45Å; P168-Y170 VanDerWaalsContact O-CD2 3.26Å; P168-Y170 WeakPolarHBondContact O-CD2 3.45Å; P168-Y170 PolarHBondContact O-N 3.42Å; P168-Y170 VanDerWaalsContact O-N 3.11Å |
| 171 | Q | 63.1 | Low | 73.2 | Confident | 185 Ų | 185 | 117.6 Ų | 117.6 | 86% | 0.864 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13.5 | -180 | -80.6 | 163.4 | -3 | 0 | 0 | 113.6 | D169 P173 | D169-Q171 PolarHBondContact O-N 2.77Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å |
| 172 | T | 59 | Low | 72.5 | Confident | 86 Ų | 86 | 120.7 Ų | 120.7 | 53% | 0.528 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -90.4 | 119.4 | 176.5 | -36.3 | 0 | 0 | 0 | 0 | 109.1 | Q174 | T172-Q174 PolarHBondContact O-N 2.8Å; T172-Q174 VanDerWaalsContact O-N 3.13Å |
| 173 | P | 59.4 | Low | 71.5 | Confident | 112 Ų | 112 | 118.2 Ų | 118.2 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 124 | 167.4 | -20.3 | 30.6 | 0 | 0 | 0 | 108 | Q171 | Q171-P173 WeakPolarHBondContact O-CD 3.28Š|
| 174 | Q | 63.4 | Low | 70.4 | Confident | 164 Ų | 164 | 115.8 Ų | 115.8 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.8 | 174.6 | -72.5 | -69.4 | -48.6 | 0 | 0 | 107.8 | T172 S176 | T172-Q174 PolarHBondContact O-N 2.8Å; T172-Q174 VanDerWaalsContact O-N 3.13Å; Q174-S176 PolarHBondContact O-N 3.4Å |
| 175 | P | 69.1 | Low | 69.4 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.1 | 175.8 | 22.8 | -31 | 0 | 0 | 0 | 108.6 | ||
| 176 | S | 70.3 | Confident | 67.5 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 135.1 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 109.1 | Q174 | Q174-S176 PolarHBondContact O-N 3.4Š|
| 177 | P | 73.2 | Confident | 65.6 | Low | 113 Ų | 113 | 120.5 Ų | 120.5 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 142.5 | 178.5 | 22.5 | -32.2 | 0 | 0 | 0 | 109.5 | ||
| 178 | P | 73.7 | Confident | 63.7 | Low | 113 Ų | 113 | 124.2 Ų | 124.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 147.8 | 178.4 | 23.3 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 179 | P | 78.3 | Confident | 61.9 | Low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 144.4 | 178.3 | 23.2 | -32.5 | 0 | 0 | 0 | 110.1 | H181 | P179-H181 PolarHBondContact O-N 3.47Š|
| 180 | P | 76.6 | Confident | 60.4 | Low | 123 Ų | 123 | 130.3 Ų | 130.3 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.9 | 175.9 | 23.5 | -31.7 | 0 | 0 | 0 | 109.1 | ||
| 181 | H | 65.4 | Low | 59 | Low | 171 Ų | 171 | 129 Ų | 129 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.7 | 171.5 | -78.6 | -82.4 | 0 | 0 | 0 | 109.2 | P179 T183 | P179-H181 PolarHBondContact O-N 3.47Å; H181-T183 PolarHBondContact O-N 2.98Å |
| 182 | P | 66.7 | Low | 57.4 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -54.7 | 115.6 | 175.4 | 21 | -30.5 | 0 | 0 | 0 | 108.5 | ||||
| 183 | T | 60.3 | Low | 56.3 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 127.4 | 175.2 | 41.4 | 0 | 0 | 0 | 0 | 107.9 | H181 I185 | H181-T183 PolarHBondContact O-N 2.98Å; T183-I185 PolarHBondContact O-N 3.43Å | ||
| 184 | P | 58 | Low | 55.4 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -57.4 | 113.5 | 176.1 | 21.4 | -30.6 | 0 | 0 | 0 | 108.5 | ||||
| 185 | I | 56.4 | Low | 53.9 | Low | 146 Ų | 146 | 125.2 Ų | 125.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -64.7 | 127.6 | 171 | -59.4 | 174 | 0 | 0 | 0 | 105.5 | T183 S187 | T183-I185 PolarHBondContact O-N 3.43Å; I185-S187 PolarHBondContact O-N 3.32Å | ||
| 186 | P | 42.9 | Very low | 52.2 | Low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | trans | -57.8 | 112.9 | 175.6 | 22.6 | -30.9 | 0 | 0 | 0 | 108.2 | N188 | P186-N188 VanDerWaalsContact C-N 3.31Å; P186-N188 PolarHBondContact O-N 3.28Å | ||
| 187 | S | 43.6 | Very low | 50.5 | Low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -59.1 | 98 | 170.6 | -68.5 | 0 | 0 | 0 | 0 | 108 | I185 S189 | I185-S187 PolarHBondContact O-N 3.32Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.95Å | ||
| 188 | N | 42.5 | Very low | 48.5 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 99.8 | 160.2 | -85.4 | -19.7 | 0 | 0 | 0 | 106.4 | P186 N190 | P186-N188 VanDerWaalsContact C-N 3.31Å; P186-N188 PolarHBondContact O-N 3.28Å; N188-N190 PolarHBondContact O-N 2.74Å | ||
| 189 | S | 40 | Very low | 46.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -64.7 | 87.2 | 163 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | S187 | S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.95Å | ||
| 190 | N | 39.3 | Very low | 44.3 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -149.9 | 97.6 | 157.1 | -104.2 | -1.5 | 0 | 0 | 0 | 107.1 | N188 | N188-N190 PolarHBondContact O-N 2.74Š| ||
| 191 | E | 37.1 | Very low | 42.4 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 35.1 | 101.1 | 137 | -58.1 | -178.9 | 150.9 | 0 | 0 | 116.7 | ||||
| 192 | Q | 30.7 | Very low | 40.8 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | -167.2 | 123.9 | 116.9 | -103.4 | -160.9 | -87.6 | 0 | 0 | 110.8 | S194 | Q192-S194 PolarHBondContact O-N 2.69Š| |||
| 193 | P | 35.8 | Very low | 39.3 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -86 | 88.5 | 167.1 | 33.2 | -26.8 | 0 | 0 | 0 | 108.1 | ||||
| 194 | S | 40.4 | Very low | 38.2 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -97.6 | 115.6 | 172.6 | 64.7 | 0 | 0 | 0 | 0 | 110 | Q192 | Q192-S194 PolarHBondContact O-N 2.69Š| ||
| 195 | G | 31.2 | Very low | 36.9 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 51.8 | 96.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 196 | N | 33 | Very low | 35.8 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | 44.5 | 114.8 | 68.5 | -126.1 | 30.3 | 0 | 0 | 0 | 114.3 | |||||
| 197 | V | 34.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | 76.4 | 93.2 | 152.6 | -160.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 198 | G | 31.4 | Very low | 35.2 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -145.4 | 58.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | N200 | G198-N200 PolarHBondContact O-N 2.78Å; G198-N200 VanDerWaalsContact O-N 3.11Å | ||
| 199 | E | 33.7 | Very low | 35.2 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -62.1 | 103.4 | 158.9 | -100.1 | 179.9 | 140.8 | 0 | 0 | 107.1 | ||||
| 200 | N | 31.6 | Very low | 35.1 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -120.3 | 89.6 | 158.6 | -164.7 | 9.4 | 0 | 0 | 0 | 107.2 | G198 | G198-N200 PolarHBondContact O-N 2.78Å; G198-N200 VanDerWaalsContact O-N 3.11Å | ||
| 201 | V | 35.5 | Very low | 35.3 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 59% | 0.594 | 80% | 0.798 | S | S | * | * | trans | -84.4 | 139.7 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 202 | N | 32.5 | Very low | 35.5 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | 90.8 | 103.3 | 178.5 | -53.8 | -46.1 | 0 | 0 | 0 | 115.3 | ||||
| 203 | N | 35.8 | Very low | 36 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | -149.5 | 132.5 | 110.3 | -91.4 | -19.8 | 0 | 0 | 0 | 109.4 | |||||
| 204 | E | 35.4 | Very low | 36.4 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 147.2 | -176.4 | -69 | 161.2 | 143.5 | 0 | 0 | 112.8 | G206 | E204-G206 PolarHBondContact O-N 3.33Š| ||
| 205 | E | 30.8 | Very low | 36.8 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 4 | 92.4 | 140.1 | -66.3 | 174.5 | 163.3 | 0 | 0 | 115.9 | ||||
| 206 | G | 33.7 | Very low | 37.6 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -110 | 100.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E204 | E204-G206 PolarHBondContact O-N 3.33Š| ||
| 207 | E | 34.9 | Very low | 38.7 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -52.2 | 129.3 | 161.1 | -57.8 | 174.6 | 145.9 | 0 | 0 | 109.6 | ||||
| 208 | D | 40.4 | Very low | 39.4 | Very low | 153 Ų | 153 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -178.6 | 143.2 | 111.6 | -138.5 | -19.3 | 0 | 0 | 0 | 111.6 | K210 | D208-K210 PolarHBondContact O-N 3.32Š| |||
| 209 | N | 41.4 | Very low | 40.8 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 111.4 | -175.1 | -76.2 | -88.3 | 0 | 0 | 0 | 111.2 | ||||
| 210 | K | 38.5 | Very low | 41.6 | Very low | 198 Ų | 198 | 155.8 Ų | 155.8 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -155.8 | 95.2 | 154 | -129.4 | 179.8 | -174 | -174.1 | 0 | 111.8 | D208 D212 | D208-K210 PolarHBondContact O-N 3.32Å; K210-D212 PolarHBondContact O-N 3.45Å | ||
| 211 | P | 43.2 | Very low | 43.2 | Very low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -76.7 | 106.9 | 159 | 29.2 | -27 | 0 | 0 | 0 | 107.9 | ||||
| 212 | D | 40.5 | Very low | 44.7 | Very low | 131 Ų | 131 | 154.9 Ų | 154.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -50.1 | 132.3 | 170.4 | -141 | -12.9 | 0 | 0 | 0 | 110.4 | K210 T214 | K210-D212 PolarHBondContact O-N 3.45Å; D212-T214 PolarHBondContact O-N 2.85Å; D212-T214 PolarHBondContact O-OG1 2.76Å | ||
| 213 | E | 42.7 | Very low | 46.4 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -62.9 | 83.1 | 173.3 | -71 | 179 | 162.7 | 0 | 0 | 108.8 | E215 | E213-E215 PolarHBondContact O-N 2.84Š| ||
| 214 | T | 42.9 | Very low | 47.8 | Very low | 117 Ų | 117 | 162.8 Ų | 162.8 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -95.7 | 96.8 | -175.4 | 15.8 | 0 | 0 | 0 | 0 | 110.3 | D212 | D212-T214 PolarHBondContact O-N 2.85Å; D212-T214 PolarHBondContact O-OG1 2.76Å | ||
| 215 | E | 50.1 | Low | 49.5 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 31.7 | 121.5 | 148.4 | -85.2 | 177.5 | 153.6 | 0 | 0 | 118.9 | E213 N217 | E213-E215 PolarHBondContact O-N 2.84Å; E215-N217 VanDerWaalsContact C-N 3.35Å; E215-N217 PolarHBondContact O-N 2.9Å | ||
| 216 | E | 47.3 | Very low | 51.9 | Low | 190 Ų | 190 | 159.4 Ų | 159.4 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -48.7 | 91 | 162.1 | -64.1 | 180 | 157.3 | 0 | 0 | 111.1 | E218 | E216-E218 PolarHBondContact O-N 2.95Š| ||
| 217 | N | 56.9 | Low | 53.9 | Low | 149 Ų | 149 | 165 Ų | 165 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 96.3 | 170.2 | -78.6 | -55.1 | 0 | 0 | 0 | 108.9 | E215 Y219 | E215-N217 VanDerWaalsContact C-N 3.35Å; E215-N217 PolarHBondContact O-N 2.9Å; N217-Y219 PolarHBondContact O-N 3.3Å | ||
| 218 | E | 48.5 | Very low | 55.9 | Low | 166 Ų | 166 | 165.6 Ų | 165.6 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -53.4 | 98.2 | 167.4 | -71.7 | -176.7 | 168.7 | 0 | 0 | 109.7 | E216 K220 | E216-E218 PolarHBondContact O-N 2.95Å; E218-K220 PolarHBondContact O-N 3.28Å | ||
| 219 | Y | 60.6 | Low | 57.9 | Low | 188 Ų | 188 | 167.8 Ų | 167.8 | 74% | 0.737 | 80% | 0.795 | S | S | * | * | trans | -68.6 | 95.4 | -179.4 | -174.4 | -97.6 | 0 | 0 | 0 | 109.9 | N217 P221 | N217-Y219 PolarHBondContact O-N 3.3Å; Y219-P221 WeakPolarHBondContact O-CD 3.15Å | ||
| 220 | K | 51.1 | Low | 59.4 | Low | 167 Ų | 167 | 169.6 Ų | 169.6 | 73% | 0.726 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 125.2 | 171.8 | -68.5 | -178.9 | -176.5 | 175.3 | 0 | 108.9 | E218 T222 | E218-K220 PolarHBondContact O-N 3.28Å; K220-T222 PolarHBondContact O-N 3.35Å |
| 221 | P | 65.2 | Low | 61.1 | Low | 113 Ų | 113 | 169.1 Ų | 169.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 128.6 | 179.1 | -24.2 | 32.3 | 0 | 0 | 0 | 111.1 | Y219 R223 | Y219-P221 WeakPolarHBondContact O-CD 3.15Å; P221-R223 PolarHBondContact O-N 3.5Å |
| 222 | T | 65.7 | Low | 62.4 | Low | 118 Ų | 118 | 167.8 Ų | 167.8 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 134.4 | 174 | 37.5 | 0 | 0 | 0 | 0 | 110.1 | K220 Y224 | K220-T222 PolarHBondContact O-N 3.35Å; T222-Y224 PolarHBondContact O-N 2.79Å |
| 223 | R | 68.3 | Low | 63.8 | Low | 238 Ų | 238 | 165.3 Ų | 165.3 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 133.9 | -175.3 | -69.9 | 179.8 | 178.4 | 173.1 | -0.1 | 111.1 | P221 V225 | P221-R223 PolarHBondContact O-N 3.5Å; R223-V225 PolarHBondContact O-N 3.32Å; R223-V225 VanDerWaalsContact O-N 3.12Å |
| 224 | Y | 65.3 | Low | 65 | Low | 218 Ų | 218 | 163.6 Ų | 163.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -50.6 | 114.5 | 179.8 | -154.1 | -95.8 | 0 | 0 | 0 | 111.4 | T222 K226 | T222-Y224 PolarHBondContact O-N 2.79Å; Y224-K226 PolarHBondContact O-N 3.05Å; Y224-K226 VanDerWaalsContact O-N 3.12Å | ||
| 225 | V | 72.4 | Confident | 66.1 | Low | 107 Ų | 107 | 166.6 Ų | 166.6 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 107.9 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | R223 Y227 | R223-V225 PolarHBondContact O-N 3.32Å; R223-V225 VanDerWaalsContact O-N 3.12Å; V225-Y227 WeakPolarHBondContact O-CD2 3.45Å; V225-Y227 PolarHBondContact O-N 2.94Å; V225-Y227 VanDerWaalsContact O-N 3.11Å | ||
| 226 | K | 79.5 | Confident | 66.7 | Low | 193 Ų | 193 | 170.1 Ų | 170.1 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 106.3 | 178.2 | -165.8 | 176.3 | -174 | 175.1 | 0 | 109.5 | Y224 | Y224-K226 PolarHBondContact O-N 3.05Å; Y224-K226 VanDerWaalsContact O-N 3.12Å | ||
| 227 | Y | 76 | Confident | 67.5 | Low | 192 Ų | 192 | 167.8 Ų | 167.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 137.5 | 173.4 | -62.3 | -84.7 | 0 | 0 | 0 | 111 | V225 K229 | V225-Y227 WeakPolarHBondContact O-CD2 3.45Å; V225-Y227 PolarHBondContact O-N 2.94Å; V225-Y227 VanDerWaalsContact O-N 3.11Å; Y227-K229 PolarHBondContact O-N 3.14Å |
| 228 | K | 77.6 | Confident | 67.6 | Low | 207 Ų | 207 | 165.7 Ų | 165.7 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 124 | 169.7 | -70.5 | -178 | 179.7 | 176 | 0 | 108.4 | Y230 | K228-Y230 PolarHBondContact O-N 2.87Š|
| 229 | K | 81.2 | Confident | 67.9 | Low | 199 Ų | 199 | 162.6 Ų | 162.6 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119.3 | 177 | -169.7 | 171.3 | -174.5 | 174 | 0 | 109.7 | Y227 K231 | Y227-K229 PolarHBondContact O-N 3.14Å; K229-K231 PolarHBondContact O-N 2.83Å |
| 230 | Y | 73.3 | Confident | 67.2 | Low | 188 Ų | 188 | 162.5 Ų | 162.5 | 74% | 0.737 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.1 | 175.8 | 179.2 | -102.6 | 0 | 0 | 0 | 110.5 | K228 P232 | K228-Y230 PolarHBondContact O-N 2.87Å; Y230-P232 HydrophobicContact CE1-CB 4.11Å |
| 231 | K | 74.2 | Confident | 67.1 | Low | 188 Ų | 188 | 160.2 Ų | 160.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | -100.7 | 112 | 171.6 | -73.6 | -99.4 | -176 | 172 | 0 | 107.4 | K229 S233 | K229-K231 PolarHBondContact O-N 2.83Å; K231-S233 PolarHBondContact O-N 2.9Å | ||
| 232 | P | 71.2 | Confident | 65.9 | Low | 96 Ų | 96 | 164.1 Ų | 164.1 | 62% | 0.623 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 130 | 176.2 | 22.6 | -30.4 | 0 | 0 | 0 | 110.2 | Y230 N234 | Y230-P232 HydrophobicContact CE1-CB 4.11Å; P232-N234 PolarHBondContact O-N 3.05Å | ||
| 233 | S | 69.6 | Low | 65.1 | Low | 79 Ų | 79 | 163.5 Ų | 163.5 | 55% | 0.552 | 78% | 0.783 | S | S | * | * | trans | -75 | 114.6 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 109.6 | K231 K235 | K231-S233 PolarHBondContact O-N 2.9Å; S233-K235 PolarHBondContact O-N 3.19Å; S233-K235 VanDerWaalsContact O-N 3.09Å; S233-K235 WeakPolarHBondContact OG-CG 3.46Å; S233-K235 PolarHBondContact OG-N 3.27Å | ||
| 234 | N | 68.4 | Low | 63.7 | Low | 159 Ų | 159 | 158.2 Ų | 158.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 25.9 | 173.1 | -79.4 | -9.7 | 0 | 0 | 0 | 113.1 | P232 R236 | P232-N234 PolarHBondContact O-N 3.05Å; N234-R236 VanDerWaalsContact C-N 3.33Å; N234-R236 PolarHBondContact O-N 2.86Å | ||
| 235 | K | 65.7 | Low | 62.6 | Low | 180 Ų | 180 | 157.4 Ų | 157.4 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -67.2 | 94 | 178 | -78.1 | -172.5 | 179.6 | -178.3 | 0 | 109.6 | S233 V237 | S233-K235 PolarHBondContact O-N 3.19Å; S233-K235 VanDerWaalsContact O-N 3.09Å; S233-K235 WeakPolarHBondContact OG-CG 3.46Å; S233-K235 PolarHBondContact OG-N 3.27Å; K235-V237 PolarHBondContact O-N 2.74Å | ||
| 236 | R | 62.8 | Low | 61.1 | Low | 237 Ų | 237 | 161.9 Ų | 161.9 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -59.1 | 105.7 | 167.1 | -120.2 | 173.8 | 78.1 | -164.2 | 6.8 | 107.8 | N234 S238 | N234-R236 VanDerWaalsContact C-N 3.33Å; N234-R236 PolarHBondContact O-N 2.86Å; R236-S238 PolarHBondContact O-N 3.25Å | ||
| 237 | V | 63.3 | Low | 59.1 | Low | 142 Ų | 142 | 156.7 Ų | 156.7 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -69.9 | 109.3 | 165 | -119.8 | 0 | 0 | 0 | 0 | 106.4 | K235 S239 | K235-V237 PolarHBondContact O-N 2.74Å; V237-S239 PolarHBondContact O-N 2.93Å | ||
| 238 | S | 59.4 | Low | 57.6 | Low | 104 Ų | 104 | 154 Ų | 154 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -75.8 | 102 | 174 | 55.7 | 0 | 0 | 0 | 0 | 108.5 | R236 K240 | R236-S238 PolarHBondContact O-N 3.25Å; S238-K240 PolarHBondContact O-N 2.94Å | ||
| 239 | S | 56 | Low | 55.9 | Low | 101 Ų | 101 | 153.9 Ų | 153.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 99.8 | 166.9 | 52.3 | 0 | 0 | 0 | 0 | 108.3 | V237 T241 | V237-S239 PolarHBondContact O-N 2.93Å; S239-T241 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.25Å | ||
| 240 | K | 45.2 | Very low | 53.8 | Low | 186 Ų | 186 | 148.1 Ų | 148.1 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | trans | -73.7 | 79.4 | 175.1 | -162.2 | 171.3 | -171.4 | 171.4 | 0 | 108.8 | S238 K242 | S238-K240 PolarHBondContact O-N 2.94Å; K240-K242 PolarHBondContact O-N 3.5Å; K240-K242 VanDerWaalsContact O-N 3.14Å | ||
| 241 | T | 49 | Very low | 52.5 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 102.9 | 171.1 | 36.4 | 0 | 0 | 0 | 0 | 109.1 | S239 S243 | S239-T241 VanDerWaalsContact C-N 3.26Å; S239-T241 PolarHBondContact O-N 3.25Å; T241-S243 PolarHBondContact O-N 3.16Å; T241-S243 VanDerWaalsContact O-N 3.16Å | ||
| 242 | K | 40.7 | Very low | 51.1 | Low | 195 Ų | 195 | 146.9 Ų | 146.9 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -72.6 | 95.2 | 167 | -70.8 | 178.2 | 179.6 | 175.2 | 0 | 108.1 | K240 | K240-K242 PolarHBondContact O-N 3.5Å; K240-K242 VanDerWaalsContact O-N 3.14Å | ||
| 243 | S | 47.6 | Very low | 49.5 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -122.8 | 81.1 | 167.3 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | T241 K245 | T241-S243 PolarHBondContact O-N 3.16Å; T241-S243 VanDerWaalsContact O-N 3.16Å; S243-K245 PolarHBondContact O-N 3.35Å | ||
| 244 | S | 38.6 | Very low | 48.3 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -76.1 | 92.5 | 158.7 | 58 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 245 | K | 42.5 | Very low | 47.3 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -130.8 | 105.7 | 165.5 | -149.9 | 163.2 | -175.2 | 170.7 | 0 | 108.9 | S243 G247 | S243-K245 PolarHBondContact O-N 3.35Å; K245-G247 PolarHBondContact O-N 2.82Å | ||
| 246 | K | 41.2 | Very low | 46 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -40 | 126.9 | 177.7 | -123.3 | 167.9 | 176.6 | 175.6 | 0 | 110.8 | T248 | K246-T248 PolarHBondContact O-N 3.02Š| ||
| 247 | G | 38 | Very low | 45.2 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | -66.6 | 111.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K245 | K245-G247 PolarHBondContact O-N 2.82Š| ||
| 248 | T | 44 | Very low | 44.4 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 122.8 | 166.9 | -32.4 | 0 | 0 | 0 | 0 | 107.6 | K246 G250 | K246-T248 PolarHBondContact O-N 3.02Å; T248-G250 PolarHBondContact O-N 3.1Å |
| 249 | K | 41.8 | Very low | 43.5 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 123.1 | 177.9 | -84.4 | 174.1 | 171.2 | 172.6 | 0 | 111 | T251 | K249-T251 PolarHBondContact O-N 3.37Š|
| 250 | G | 38.4 | Very low | 42.9 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 117.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T248 | T248-G250 PolarHBondContact O-N 3.1Š|
| 251 | T | 44.2 | Very low | 43 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 85% | 0.847 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.2 | 160.3 | 33.2 | 0 | 0 | 0 | 0 | 108.3 | K249 G253 | K249-T251 PolarHBondContact O-N 3.37Å; T251-G253 PolarHBondContact O-N 3.25Å |
| 252 | K | 46 | Very low | 42.6 | Very low | 212 Ų | 212 | 148.2 Ų | 148.2 | 92% | 0.922 | 84% | 0.84 | S | S | * | * | trans | -59.2 | 102 | 174.4 | -82.9 | 176.6 | 173.5 | 174.1 | 0 | 109 | ||||
| 253 | G | 38.1 | Very low | 42.8 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 84% | 0.842 | S | S | * | * | trans | -66.6 | 129.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T251 | T251-G253 PolarHBondContact O-N 3.25Š| ||
| 254 | T | 43.6 | Very low | 42.7 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | -60.9 | 142 | 174.5 | 33.6 | 0 | 0 | 0 | 0 | 111 | G256 | T254-G256 PolarHBondContact O-N 3.1Š| ||
| 255 | K | 47 | Very low | 43.1 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | trans | -55.8 | 103.2 | -180 | -69.7 | 178.5 | 177.7 | 176.4 | 0 | 110 | T257 | K255-T257 PolarHBondContact O-N 2.79Š| ||
| 256 | G | 39.6 | Very low | 43.5 | Very low | 75 Ų | 75 | 150.2 Ų | 150.2 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -63.4 | 123.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T254 K258 | T254-G256 PolarHBondContact O-N 3.1Å; G256-K258 PolarHBondContact O-N 2.82Å | ||
| 257 | T | 44.4 | Very low | 44 | Very low | 139 Ų | 139 | 149 Ų | 149 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -59.8 | 129.5 | 173.9 | 34.8 | 0 | 0 | 0 | 0 | 109.8 | K255 G259 | K255-T257 PolarHBondContact O-N 2.79Å; T257-G259 VanDerWaalsContact C-N 3.35Å; T257-G259 PolarHBondContact O-N 2.96Å | ||
| 258 | K | 47.8 | Very low | 44.6 | Very low | 210 Ų | 210 | 155 Ų | 155 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -56.6 | 94.8 | 174.1 | -86.6 | 178.5 | 173.2 | 172.7 | 0 | 109.2 | G256 K260 | G256-K258 PolarHBondContact O-N 2.82Å; K258-K260 PolarHBondContact O-N 3.44Å | ||
| 259 | G | 40.1 | Very low | 45.1 | Very low | 63 Ų | 63 | 158 Ų | 158 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | trans | -61.4 | 116 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | T257 R261 | T257-G259 VanDerWaalsContact C-N 3.35Å; T257-G259 PolarHBondContact O-N 2.96Å; G259-R261 PolarHBondContact O-N 3.02Å | ||
| 260 | K | 43.8 | Very low | 45.1 | Very low | 207 Ų | 207 | 151.4 Ų | 151.4 | 90% | 0.9 | 81% | 0.812 | S | S | * | * | trans | -57.8 | 98.8 | 170.7 | -67.5 | -178.3 | 178.9 | -178.9 | 0 | 108.1 | K258 G262 | K258-K260 PolarHBondContact O-N 3.44Å; K260-G262 PolarHBondContact O-N 3.48Å | ||
| 261 | R | 47.5 | Very low | 45.5 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -67.1 | 105.7 | 171.1 | -74.1 | -177.8 | 123.6 | 153.9 | -1.2 | 107.4 | G259 K263 | G259-R261 PolarHBondContact O-N 3.02Å; R261-K263 PolarHBondContact O-N 3.23Å | ||
| 262 | G | 39.2 | Very low | 45.8 | Very low | 70 Ų | 70 | 158.3 Ų | 158.3 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -53.2 | 133.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K260 G264 | K260-G262 PolarHBondContact O-N 3.48Å; G262-G264 PolarHBondContact O-N 2.79Å | ||
| 263 | K | 45.2 | Very low | 46.1 | Very low | 203 Ų | 203 | 157.7 Ų | 157.7 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -60.1 | 101.8 | 174.1 | -65.3 | -176.1 | 177.9 | -178.8 | 0 | 108.2 | R261 K265 | R261-K263 PolarHBondContact O-N 3.23Å; K263-K265 PolarHBondContact O-N 2.71Å | ||
| 264 | G | 44.9 | Very low | 46.9 | Very low | 46 Ų | 46 | 162.7 Ų | 162.7 | 47% | 0.474 | 80% | 0.802 | S | S | . | * | trans | -59.6 | 127.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | G262 Y266 | G262-G264 PolarHBondContact O-N 2.79Å; G264-Y266 WeakPolarHBondContact O-CE2 3.3Å; G264-Y266 PolarHBondContact O-N 2.67Å; G264-Y266 VanDerWaalsContact O-N 3.1Å | ||
| 265 | K | 48.4 | Very low | 47.3 | Very low | 204 Ų | 204 | 161.8 Ų | 161.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -68.4 | 102.5 | 176 | -63 | -179.6 | 179.5 | -179.1 | 0 | 108.5 | K263 K267 | K263-K265 PolarHBondContact O-N 2.71Å; K265-K267 PolarHBondContact O-N 2.92Å | ||
| 266 | Y | 49.8 | Very low | 47.3 | Very low | 216 Ų | 216 | 160.2 Ų | 160.2 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -66.6 | 117.1 | 172.8 | -42 | -79.8 | 0 | 0 | 0 | 108.9 | G264 K268 | G264-Y266 WeakPolarHBondContact O-CE2 3.3Å; G264-Y266 PolarHBondContact O-N 2.67Å; G264-Y266 VanDerWaalsContact O-N 3.1Å; Y266-K268 PolarHBondContact O-N 3.18Å | ||
| 267 | K | 51.4 | Low | 48.1 | Very low | 176 Ų | 176 | 162.5 Ų | 162.5 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 108.1 | 168.6 | -81 | 179.3 | 175 | 175.7 | 0 | 107.9 | K265 Y269 | K265-K267 PolarHBondContact O-N 2.92Å; K267-Y269 WeakPolarHBondContact O-CD2 3.35Å; K267-Y269 PolarHBondContact O-N 2.81Å; K267-Y269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | K | 51.9 | Low | 48.5 | Very low | 208 Ų | 208 | 161.6 Ų | 161.6 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 101.9 | 172.4 | -165.8 | 175.8 | -173.7 | 179.7 | 0 | 108 | Y266 G270 | Y266-K268 PolarHBondContact O-N 3.18Å; K268-G270 PolarHBondContact O-N 3.35Å | ||
| 269 | Y | 54.1 | Low | 48.6 | Very low | 202 Ų | 202 | 157.2 Ų | 157.2 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 98.6 | 171.4 | -67.4 | -84.6 | 0 | 0 | 0 | 108.3 | K267 N271 | K267-Y269 WeakPolarHBondContact O-CD2 3.35Å; K267-Y269 PolarHBondContact O-N 2.81Å; K267-Y269 VanDerWaalsContact O-N 3.12Å; Y269-N271 PolarHBondContact O-N 3.27Å | ||
| 270 | G | 40.8 | Very low | 48.9 | Very low | 63 Ų | 63 | 162.6 Ų | 162.6 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | -69 | 93.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K268 R272 | K268-G270 PolarHBondContact O-N 3.35Å; G270-R272 PolarHBondContact O-N 2.84Å | ||
| 271 | N | 48.8 | Very low | 49.5 | Very low | 134 Ų | 134 | 158.1 Ų | 158.1 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 88.2 | 166.9 | -102.9 | 1.8 | 0 | 0 | 0 | 108.4 | Y269 Y273 | Y269-N271 PolarHBondContact O-N 3.27Å; N271-Y273 HydrophobicContact CB-CD2 4.19Å; N271-Y273 PolarHBondContact O-N 2.84Å | ||
| 272 | R | 50.3 | Low | 49.7 | Very low | 229 Ų | 229 | 155.4 Ų | 155.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -75 | 73.9 | 167.5 | -70.7 | -170.5 | -79.3 | -155.5 | -2.7 | 108.6 | G270 K274 | G270-R272 PolarHBondContact O-N 2.84Å; R272-K274 PolarHBondContact O-N 3.04Å; R272-K274 VanDerWaalsContact O-N 3.13Å | ||
| 273 | Y | 50.9 | Low | 50.2 | Low | 199 Ų | 199 | 160.4 Ų | 160.4 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 99.2 | 160.7 | -89 | -87.9 | 0 | 0 | 0 | 107.1 | N271 | N271-Y273 HydrophobicContact CB-CD2 4.19Å; N271-Y273 PolarHBondContact O-N 2.84Å | ||
| 274 | K | 54.8 | Low | 50.5 | Low | 179 Ų | 179 | 156.5 Ų | 156.5 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 121.4 | 164.3 | -69.3 | -176 | 177.3 | -174.4 | 0 | 106.7 | R272 Q276 | R272-K274 PolarHBondContact O-N 3.04Å; R272-K274 VanDerWaalsContact O-N 3.13Å; K274-Q276 PolarHBondContact O-N 3.12Å |
| 275 | P | 52.6 | Low | 50.7 | Low | 121 Ų | 121 | 163 Ų | 163 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134.7 | 173.2 | 22.3 | -29.8 | 0 | 0 | 0 | 109.2 | ||
| 276 | Q | 48.2 | Very low | 50.6 | Low | 177 Ų | 177 | 159.8 Ų | 159.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67 | 142.4 | 174.7 | -75.4 | -159 | -8.2 | 0 | 0 | 109.8 | K274 T278 | K274-Q276 PolarHBondContact O-N 3.12Å; Q276-T278 PolarHBondContact O-N 2.72Å |
| 277 | P | 54.7 | Low | 50.5 | Low | 123 Ų | 123 | 156.8 Ų | 156.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.1 | 173.2 | -19.4 | 30.4 | 0 | 0 | 0 | 110.3 | ||
| 278 | T | 53.8 | Low | 50.2 | Low | 121 Ų | 121 | 153.9 Ų | 153.9 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 130.8 | 175.1 | -38.3 | 0 | 0 | 0 | 0 | 108.9 | Q276 H280 | Q276-T278 PolarHBondContact O-N 2.72Å; T278-H280 PolarHBondContact O-N 3.45Å |
| 279 | P | 49.9 | Very low | 49.8 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.2 | 174.7 | -19.3 | 30.7 | 0 | 0 | 0 | 109.3 | ||
| 280 | H | 45.8 | Very low | 49.1 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 140.5 | 171.1 | -92.8 | -88.5 | 0 | 0 | 0 | 109.3 | T278 E282 | T278-H280 PolarHBondContact O-N 3.45Å; H280-E282 PolarHBondContact O-N 3.36Å |
| 281 | P | 56.2 | Low | 49.1 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127.5 | 174.2 | 23.8 | -30.5 | 0 | 0 | 0 | 109.5 | E283 | P281-E283 PolarHBondContact O-N 2.94Š|
| 282 | E | 52.5 | Low | 49 | Very low | 185 Ų | 185 | 153.9 Ų | 153.9 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 124.1 | 171.4 | -77.9 | 175.8 | 150.1 | 0 | 0 | 109 | H280 | H280-E282 PolarHBondContact O-N 3.36Š|
| 283 | E | 49.7 | Very low | 48.8 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 141.2 | 170.5 | -73.2 | -176.5 | 168.9 | 0 | 0 | 109.5 | P281 Q285 | P281-E283 PolarHBondContact O-N 2.94Å; E283-Q285 PolarHBondContact O-N 2.96Å; E283-Q285 VanDerWaalsContact O-N 3.13Å |
| 284 | P | 50.7 | Low | 48.5 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 119.2 | -177.9 | 22.1 | -31 | 0 | 0 | 0 | 110.3 | T286 | P284-T286 PolarHBondContact O-N 3.14Š|
| 285 | Q | 49.6 | Very low | 47.7 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119.6 | 172.2 | -67.1 | -175.9 | -1.6 | 0 | 0 | 109 | E283 I287 | E283-Q285 PolarHBondContact O-N 2.96Å; E283-Q285 VanDerWaalsContact O-N 3.13Å; Q285-I287 PolarHBondContact O-N 3.32Å |
| 286 | T | 45.4 | Very low | 47.3 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.9 | 170.2 | 37 | 0 | 0 | 0 | 0 | 108.5 | P284 | P284-T286 PolarHBondContact O-N 3.14Š|
| 287 | I | 47.6 | Very low | 47.3 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.6 | 176.4 | -57.3 | 171.9 | 0 | 0 | 0 | 107.5 | Q285 Q289 | Q285-I287 PolarHBondContact O-N 3.32Å; I287-Q289 PolarHBondContact O-N 3.02Å |
| 288 | P | 46.1 | Very low | 47 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.7 | 179.8 | -21.6 | 31.7 | 0 | 0 | 0 | 110.2 | H290 | P288-H290 PolarHBondContact O-N 2.93Å; P288-H290 VanDerWaalsContact O-N 3.12Å |
| 289 | Q | 43.8 | Very low | 46.5 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118.6 | 169.9 | -74.4 | -176.6 | -35.4 | 0 | 0 | 107.7 | I287 G291 | I287-Q289 PolarHBondContact O-N 3.02Å; Q289-G291 PolarHBondContact O-N 3.17Å |
| 290 | H | 38.5 | Very low | 46.2 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -58.9 | 107.6 | 174.6 | -153.5 | -60.6 | 0 | 0 | 0 | 106.5 | P288 E292 | P288-H290 PolarHBondContact O-N 2.93Å; P288-H290 VanDerWaalsContact O-N 3.12Å; H290-E292 PolarHBondContact O-N 2.93Å | ||
| 291 | G | 40.2 | Very low | 45.8 | Very low | 58 Ų | 58 | 150.2 Ų | 150.2 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | trans | -56.5 | 123.3 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q289 D293 | Q289-G291 PolarHBondContact O-N 3.17Å; G291-D293 PolarHBondContact O-N 3.09Å | ||
| 292 | E | 47.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -64.3 | 104.6 | 158.8 | -66.1 | 172.4 | 168.4 | 0 | 0 | 104.7 | H290 D294 | H290-E292 PolarHBondContact O-N 2.93Å; E292-D294 PolarHBondContact O-N 3.44Å | ||
| 293 | D | 46.4 | Very low | 44.5 | Very low | 158 Ų | 158 | 156.3 Ų | 156.3 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -87.1 | 96.9 | 176 | -166 | 18.2 | 0 | 0 | 0 | 106.2 | G291 G295 | G291-D293 PolarHBondContact O-N 3.09Å; D293-G295 PolarHBondContact O-N 3.35Å | ||
| 294 | D | 43.3 | Very low | 44.2 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | -68.3 | 77.4 | 176.1 | -60.7 | -40.8 | 0 | 0 | 0 | 109.2 | E292 E296 | E292-D294 PolarHBondContact O-N 3.44Å; D294-E296 VanDerWaalsContact C-N 3.29Å; D294-E296 PolarHBondContact O-N 2.77Å | ||
| 295 | G | 39.7 | Very low | 43.8 | Very low | 70 Ų | 70 | 157.2 Ų | 157.2 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -78 | 75.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D293 | D293-G295 PolarHBondContact O-N 3.35Š| ||
| 296 | E | 43 | Very low | 43.5 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -80.2 | 100.9 | 156.8 | -67.7 | -171.8 | 173.8 | 0 | 0 | 108.2 | D294 | D294-E296 VanDerWaalsContact C-N 3.29Å; D294-E296 PolarHBondContact O-N 2.77Å | ||
| 297 | D | 49.7 | Very low | 43.4 | Very low | 168 Ų | 168 | 156.9 Ų | 156.9 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -127.6 | 96.1 | 160.4 | -86.2 | -35.4 | 0 | 0 | 0 | 108 | ||||
| 298 | E | 47.9 | Very low | 43.1 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | trans | -56.9 | 150.9 | 168.9 | -72.3 | 178.1 | 150.2 | 0 | 0 | 111.9 | ||||
| 299 | E | 42.8 | Very low | 42.9 | Very low | 159 Ų | 159 | 160.2 Ų | 160.2 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | trans | 62.3 | 99.4 | 146.8 | -68 | 177.3 | -177.7 | 0 | 0 | 118.3 | ||||
| 300 | N | 43.4 | Very low | 42.8 | Very low | 172 Ų | 172 | 157.8 Ų | 157.8 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | trans | -125 | 79.1 | 141.2 | -136.1 | -3.2 | 0 | 0 | 0 | 108.7 | ||||
| 301 | E | 37.8 | Very low | 43.2 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | trans | -74.4 | 110.5 | 157.4 | -77.7 | -170.7 | 141.9 | 0 | 0 | 108.8 | ||||
| 302 | Q | 36.5 | Very low | 43.5 | Very low | 270 Ų | 270 | 164.8 Ų | 164.8 | 100% | 1.262 | 85% | 0.845 | S | S | * | * | trans | 178.9 | 0 | 137.2 | -100.9 | 167.2 | 51.8 | 0 | 0 | 112.3 |
Retrieved 302 of 302 residues in 53.4 ms
(Link to these results)