| 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 | 39.4 | Very low | 43.3 | Very low | 246 Ų | 246 | 184.8 Ų | 184.8 | 100% | 1.212 | 85% | 0.854 | S | S | * | * | 0 | 125.8 | 0 | -75.6 | -167.9 | 155.6 | 0 | 0 | 108 | |||||
| 2 | T | 45.4 | Very low | 43.6 | Very low | 139 Ų | 139 | 188.8 Ų | 188.8 | 85% | 0.853 | 86% | 0.856 | S | S | * | * | trans | -84.5 | 130.1 | -169.1 | 41.5 | 0 | 0 | 0 | 0 | 111.6 | Q4 | T2-Q4 PolarHBondContact O-N 3.4Š| ||
| 3 | T | 43.3 | Very low | 43.7 | Very low | 139 Ų | 139 | 182.8 Ų | 182.8 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | -71.8 | 115.6 | -179.3 | 42.9 | 0 | 0 | 0 | 0 | 111.3 | Q5 | T3-Q5 PolarHBondContact O-N 3.46Š| ||
| 4 | Q | 44.7 | Very low | 43.5 | Very low | 179 Ų | 179 | 178.1 Ų | 178.1 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | trans | -80.9 | 108.9 | 174.6 | -64.9 | -173 | 11 | 0 | 0 | 110 | T2 T6 | T2-Q4 PolarHBondContact O-N 3.4Å; Q4-T6 PolarHBondContact O-N 3.37Å | ||
| 5 | Q | 42.6 | Very low | 43.6 | Very low | 161 Ų | 161 | 172.2 Ų | 172.2 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -70.5 | 111.8 | 165.1 | -88.7 | 180 | -12.6 | 0 | 0 | 109.2 | T3 F7 | T3-Q5 PolarHBondContact O-N 3.46Å; Q5-F7 HydrophobicContact CB-CD2 4.47Å; Q5-F7 HydrophobicContact CB-CE2 4.08Å | ||
| 6 | T | 44.3 | Very low | 43.7 | Very low | 106 Ų | 106 | 172.5 Ų | 172.5 | 65% | 0.65 | 84% | 0.839 | S | S | * | * | trans | -93.6 | 99.2 | 172.7 | 46.9 | 0 | 0 | 0 | 0 | 109.8 | Q4 F8 | Q4-T6 PolarHBondContact O-N 3.37Å; T6-F8 PolarHBondContact O-N 2.79Å | ||
| 7 | F | 45.2 | Very low | 43.8 | Very low | 167 Ų | 167 | 168.1 Ų | 168.1 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | trans | -71.3 | 114 | 169.2 | -71.5 | -90.4 | 0 | 0 | 0 | 109.2 | Q5 R9 | Q5-F7 HydrophobicContact CB-CD2 4.47Å; Q5-F7 HydrophobicContact CB-CE2 4.08Å; F7-R9 PolarHBondContact O-N 3.31Å | ||
| 8 | F | 43.3 | Very low | 43.9 | Very low | 202 Ų | 202 | 166.1 Ų | 166.1 | 89% | 0.886 | 83% | 0.829 | S | S | * | * | trans | -68.1 | 79 | 171 | -72.2 | -81.8 | 0 | 0 | 0 | 110.4 | T6 R10 | T6-F8 PolarHBondContact O-N 2.79Å; F8-R10 PolarHBondContact O-N 2.89Å | ||
| 9 | R | 41.1 | Very low | 44.1 | Very low | 233 Ų | 233 | 165.2 Ų | 165.2 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -72.3 | 110.5 | 169.7 | -155.5 | 177.8 | -165.6 | 175.2 | 4.2 | 107.5 | F7 R11 | F7-R9 PolarHBondContact O-N 3.31Å; R9-R11 PolarHBondContact O-N 3.23Å | ||
| 10 | R | 41.7 | Very low | 44.2 | Very low | 231 Ų | 231 | 162.8 Ų | 162.8 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -50.4 | 104.2 | 173.6 | -174 | -176.1 | -61.7 | -131.4 | 1.1 | 108.7 | F8 R12 | F8-R10 PolarHBondContact O-N 2.89Å; R10-R12 PolarHBondContact O-N 3.02Å | ||
| 11 | R | 45.9 | Very low | 44.5 | Very low | 230 Ų | 230 | 159.8 Ų | 159.8 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -60.7 | 110.8 | 170.7 | -75.4 | -174.8 | -174 | -177 | 1.9 | 106.3 | R9 S13 | R9-R11 PolarHBondContact O-N 3.23Å; R11-S13 PolarHBondContact O-N 3.12Å; R11-S13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | R | 45.9 | Very low | 44.8 | Very low | 232 Ų | 232 | 153.9 Ų | 153.9 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 110 | 159.1 | -68.3 | 178 | 119.5 | 161.7 | 0.3 | 104.2 | R10 S14 | R10-R12 PolarHBondContact O-N 3.02Å; R12-S14 PolarHBondContact O-N 2.77Å | ||
| 13 | S | 45.1 | Very low | 44.9 | Very low | 112 Ų | 112 | 158 Ų | 158 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -63 | 88.2 | 172.1 | -43.2 | 0 | 0 | 0 | 0 | 107.1 | R11 S15 | R11-S13 PolarHBondContact O-N 3.12Å; R11-S13 VanDerWaalsContact O-N 3.12Å; S13-S15 VanDerWaalsContact C-N 3.26Å; S13-S15 PolarHBondContact O-N 2.84Å; S13-S15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | S | 41.6 | Very low | 45.1 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -81.3 | 83.7 | 167.9 | 56.6 | 0 | 0 | 0 | 0 | 106.8 | R12 | R12-S14 PolarHBondContact O-N 2.77Š| ||
| 15 | S | 44.9 | Very low | 45.6 | Very low | 89 Ų | 89 | 153.6 Ų | 153.6 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | -127.3 | 94.5 | 152.6 | 52.4 | 0 | 0 | 0 | 0 | 105.2 | S13 S17 | S13-S15 VanDerWaalsContact C-N 3.26Å; S13-S15 PolarHBondContact O-N 2.84Å; S13-S15 VanDerWaalsContact O-N 3.16Å; S15-S17 PolarHBondContact O-N 3.44Å | ||
| 16 | L | 45.1 | Very low | 46.2 | Very low | 177 Ų | 177 | 151 Ų | 151 | 93% | 0.927 | 76% | 0.755 | S | S | * | * | trans | -56 | 84.6 | 148.7 | -89 | 124.2 | 0 | 0 | 0 | 105.3 | T18 | L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 2.76Å | ||
| 17 | S | 45.7 | Very low | 46.8 | Very low | 98 Ų | 98 | 152 Ų | 152 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -69.3 | 103.7 | 167.2 | 50.8 | 0 | 0 | 0 | 0 | 104.9 | S15 I19 | S15-S17 PolarHBondContact O-N 3.44Å; S17-I19 PolarHBondContact O-N 2.85Å; S17-I19 VanDerWaalsContact O-N 3.17Å | ||
| 18 | T | 45.6 | Very low | 47.3 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | -44.9 | 124 | 164 | -28 | 0 | 0 | 0 | 0 | 106.7 | L16 N20 | L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 2.76Å; T18-N20 VanDerWaalsContact C-N 3.34Å; T18-N20 PolarHBondContact O-N 2.73Å | ||
| 19 | I | 47.8 | Very low | 48 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -60.6 | 102.1 | 179.8 | -59 | 170.4 | 0 | 0 | 0 | 106.1 | S17 T21 | S17-I19 PolarHBondContact O-N 2.85Å; S17-I19 VanDerWaalsContact O-N 3.17Å; I19-T21 HydrophobicContact CG2-CG2 3.69Å; I19-T21 PolarHBondContact O-N 2.92Å | ||
| 20 | N | 45.4 | Very low | 48.6 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | trans | -79.6 | 101.8 | 166.9 | -169.5 | 1.5 | 0 | 0 | 0 | 105.5 | T18 N22 | T18-N20 VanDerWaalsContact C-N 3.34Å; T18-N20 PolarHBondContact O-N 2.73Å; N20-N22 PolarHBondContact O-N 2.71Å; N20-N22 VanDerWaalsContact O-N 3.15Å; N20-N22 WeakPolarHBondContact OD1-CB 3.49Å; N20-N22 PolarHBondContact OD1-N 2.87Å; N20-N22 PolarHBondContact OD1-ND2 2.97Å; N20-N22 PolarHBondContact OD1-OD1 3.16Å | ||
| 21 | T | 51.1 | Low | 49.1 | Very low | 101 Ų | 101 | 140 Ų | 140 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | trans | -78.2 | 21.2 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 112 | I19 Y23 | I19-T21 HydrophobicContact CG2-CG2 3.69Å; I19-T21 PolarHBondContact O-N 2.92Å; T21-Y23 VanDerWaalsContact C-N 3.31Å; T21-Y23 VanDerWaalsContact O-CD2 3.32Å; T21-Y23 WeakPolarHBondContact O-CD2 3.36Å; T21-Y23 PolarHBondContact O-N 2.95Å | ||
| 22 | N | 45.7 | Very low | 49.4 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | trans | -68.8 | 101.1 | 166.9 | -73.5 | -8.2 | 0 | 0 | 0 | 106.5 | N20 S24 | N20-N22 PolarHBondContact O-N 2.71Å; N20-N22 VanDerWaalsContact O-N 3.15Å; N20-N22 WeakPolarHBondContact OD1-CB 3.49Å; N20-N22 PolarHBondContact OD1-N 2.87Å; N20-N22 PolarHBondContact OD1-ND2 2.97Å; N20-N22 PolarHBondContact OD1-OD1 3.16Å; N22-S24 VanDerWaalsContact C-N 3.32Å; N22-S24 PolarHBondContact O-N 3Å | ||
| 23 | Y | 48.1 | Very low | 49.2 | Very low | 225 Ų | 225 | 128 Ų | 128 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | trans | -44.4 | 95 | 170.8 | -65.8 | -94.5 | 0 | 0 | 0 | 109.4 | T21 | T21-Y23 VanDerWaalsContact C-N 3.31Å; T21-Y23 VanDerWaalsContact O-CD2 3.32Å; T21-Y23 WeakPolarHBondContact O-CD2 3.36Å; T21-Y23 PolarHBondContact O-N 2.95Å | ||
| 24 | S | 46.5 | Very low | 49.2 | Very low | 83 Ų | 83 | 128 Ų | 128 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | trans | -94.9 | 120.8 | 159.8 | -176.9 | 0 | 0 | 0 | 0 | 104 | N22 D26 | N22-S24 VanDerWaalsContact C-N 3.32Å; N22-S24 PolarHBondContact O-N 3Å; S24-D26 WeakPolarHBondContact CB-OD1 3.32Å; S24-D26 PolarHBondContact O-N 3.08Å; S24-D26 PolarHBondContact OG-OD1 2.7Å | ||
| 25 | D | 55.6 | Low | 49.4 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -63.8 | 69.1 | 176 | -77.2 | -30.1 | 0 | 0 | 0 | 109.4 | E27 | D25-E27 PolarHBondContact O-N 2.78Š| ||
| 26 | D | 55 | Low | 49.4 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | trans | -78.3 | 63.4 | 177.9 | -64.9 | -10.9 | 0 | 0 | 0 | 108.3 | S24 D28 F29 | S24-D26 WeakPolarHBondContact CB-OD1 3.32Å; S24-D26 PolarHBondContact O-N 3.08Å; S24-D26 PolarHBondContact OG-OD1 2.7Å; D26-D28 PolarHBondContact O-N 2.83Å; D26-F29 PolarHBondContact O-N 3.32Å; D26-F29 VanDerWaalsContact O-N 3.1Å | ||
| 27 | E | 56.5 | Low | 49.3 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 59% | 0.593 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -8 | 167.1 | -65.2 | -60.8 | 141.3 | 0 | 0 | 112 | D25 F29 W30 S31 | D25-E27 PolarHBondContact O-N 2.78Å; E27-F29 PolarHBondContact O-N 2.87Å; E27-W30 PolarHBondContact O-N 2.64Å; E27-S31 PolarHBondContact O-OG 2.8Å |
| 28 | D | 56.1 | Low | 49.3 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -66.9 | -20.6 | 171.8 | -71.7 | -20.2 | 0 | 0 | 0 | 113.2 | D26 W30 S31 | D26-D28 PolarHBondContact O-N 2.83Å; D28-W30 PolarHBondContact O-N 2.77Å; D28-S31 PolarHBondContact O-N 2.67Å |
| 29 | F | 57.5 | Low | 49.1 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -60.6 | -34.5 | 176.5 | -171.5 | -97.4 | 0 | 0 | 0 | 112 | D26 E27 | D26-F29 PolarHBondContact O-N 3.32Å; D26-F29 VanDerWaalsContact O-N 3.1Å; E27-F29 PolarHBondContact O-N 2.87Å |
| 30 | W | 53.9 | Low | 49.1 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -89.3 | -13.2 | 179.4 | -64.8 | 108.8 | 0 | 0 | 0 | 113.7 | E27 D28 A32 | E27-W30 PolarHBondContact O-N 2.64Å; D28-W30 PolarHBondContact O-N 2.77Å; W30-A32 PolarHBondContact O-N 3.44Å |
| 31 | S | 53.2 | Low | 49 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -83.5 | -8.5 | -172.5 | -65.1 | 0 | 0 | 0 | 0 | 114.3 | E27 D28 C33 | E27-S31 PolarHBondContact O-OG 2.8Å; D28-S31 PolarHBondContact O-N 2.67Å; S31-C33 VanDerWaalsContact C-N 3.28Å; S31-C33 PolarHBondContact O-N 3.4Å |
| 32 | A | 50.7 | Low | 48.9 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -3.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | W30 | W30-A32 PolarHBondContact O-N 3.44Š|
| 33 | C | 41.2 | Very low | 48.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -116 | 50.5 | -172.1 | -73.9 | 0 | 0 | 0 | 0 | 113.8 | S31 | S31-C33 VanDerWaalsContact C-N 3.28Å; S31-C33 PolarHBondContact O-N 3.4Å |
| 34 | S | 45.8 | Very low | 49.1 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -156.5 | 80.7 | 164.8 | -157.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 35 | S | 46.8 | Very low | 49 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -139.5 | 58.6 | 158.1 | -143.3 | 0 | 0 | 0 | 0 | 110.3 | K37 | S35-K37 PolarHBondContact O-N 3.35Š| ||
| 36 | R | 44.9 | Very low | 48.8 | Very low | 220 Ų | 220 | 149.1 Ų | 149.1 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -70.5 | 112 | 157 | -174.2 | 173.9 | -71.1 | -168.1 | -1.2 | 105.7 | T38 | R36-T38 HydrophobicContact CG-CG2 4.31Å; R36-T38 PolarHBondContact O-N 3.29Å | ||
| 37 | K | 42.6 | Very low | 48.8 | Very low | 207 Ų | 207 | 153.8 Ų | 153.8 | 90% | 0.9 | 78% | 0.779 | S | S | * | * | trans | -51.8 | 100.3 | 173.4 | -62.3 | -178 | 178.7 | -177.5 | 0 | 108.7 | S35 | S35-K37 PolarHBondContact O-N 3.35Š| ||
| 38 | T | 44.4 | Very low | 48.6 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | trans | -118.9 | 125.5 | 168 | 58.7 | 0 | 0 | 0 | 0 | 107.6 | R36 | R36-T38 HydrophobicContact CG-CG2 4.31Å; R36-T38 PolarHBondContact O-N 3.29Å | ||
| 39 | S | 41.7 | Very low | 48.2 | Very low | 113 Ų | 113 | 154 Ų | 154 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -32.3 | 142.1 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 40 | K | 47.8 | Very low | 47.7 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -45.9 | 143.5 | 166.8 | -62.9 | 176.1 | 178.4 | 178.7 | 0 | 108.8 | ||
| 41 | D | 42.8 | Very low | 47.5 | Very low | 159 Ų | 159 | 149.9 Ų | 149.9 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 102.9 | 62.6 | 170.2 | -45 | -22.6 | 0 | 0 | 0 | 116.1 | ||||
| 42 | S | 49.9 | Very low | 47.4 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | -139.6 | 74.7 | 149.9 | 76.8 | 0 | 0 | 0 | 0 | 110.6 | Y44 | S42-Y44 PolarHBondContact O-N 2.79Š| ||
| 43 | E | 46 | Very low | 47.2 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -76 | 47.9 | 179.2 | -161.5 | 179 | -167.2 | 0 | 0 | 112.3 | ||||
| 44 | Y | 52 | Low | 47 | Very low | 212 Ų | 212 | 155 Ų | 155 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -151.8 | 64 | 176.4 | -59.7 | -75.8 | 0 | 0 | 0 | 112.3 | S42 | S42-Y44 PolarHBondContact O-N 2.79Š| ||
| 45 | K | 44.7 | Very low | 46.8 | Very low | 198 Ų | 198 | 155.8 Ų | 155.8 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -95 | 104.1 | 169.2 | -82.9 | -168.8 | 174.2 | -177.3 | 0 | 111.2 | ||||
| 46 | K | 51.5 | Low | 46.8 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -44.7 | 129.1 | 173.8 | -79.3 | 172.9 | 170.6 | 175.9 | 0 | 112.3 | I48 | K46-I48 PolarHBondContact O-N 2.98Š| ||
| 47 | K | 54.6 | Low | 46.9 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 120.7 | 169.2 | -60.5 | 179.8 | -179.4 | -177.7 | 0 | 108.6 | ||
| 48 | I | 52.9 | Low | 47.1 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 119.5 | 173.4 | -53.7 | 170.7 | 0 | 0 | 0 | 106.6 | K46 | K46-I48 PolarHBondContact O-N 2.98Š|
| 49 | S | 47.2 | Very low | 47.4 | Very low | 100 Ų | 100 | 151.9 Ų | 151.9 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 124.7 | -179.1 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | S51 | S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.04Å |
| 50 | L | 47.6 | Very low | 48.1 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -78.2 | 11.1 | -173.3 | -83.2 | 155.4 | 0 | 0 | 0 | 115.6 | A52 | L50-A52 VanDerWaalsContact C-N 3.25Å; L50-A52 PolarHBondContact O-N 3.05Å | ||
| 51 | S | 48.9 | Very low | 48.2 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 22.7 | -168.3 | 63.5 | 0 | 0 | 0 | 0 | 116 | S49 | S49-S51 VanDerWaalsContact C-N 3.28Å; S49-S51 PolarHBondContact O-N 3.04Å |
| 52 | A | 51.6 | Low | 48.7 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 8.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L50 | L50-A52 VanDerWaalsContact C-N 3.25Å; L50-A52 PolarHBondContact O-N 3.05Å |
| 53 | V | 45.4 | Very low | 48.9 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -116.3 | 72.5 | -177.6 | -169.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 54 | Q | 36.9 | Very low | 49.5 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -166.7 | 134.6 | 162 | -108.6 | 159.6 | 31.5 | 0 | 0 | 111.3 | ||||
| 55 | S | 42.8 | Very low | 49.7 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | 69.3 | 125.9 | 177.5 | 70.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 56 | A | 47 | Very low | 50.1 | Low | 78 Ų | 78 | 135 Ų | 135 | 65% | 0.645 | 74% | 0.744 | S | S | * | * | cis | -147.3 | 112 | 29.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E58 | A56-E58 PolarHBondContact O-N 3Š| ||
| 57 | N | 46.5 | Very low | 50.3 | Low | 170 Ų | 170 | 129.8 Ų | 129.8 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -85.9 | 43.6 | 158.3 | -86.6 | -1.2 | 0 | 0 | 0 | 109.2 | L59 | N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 3.17Å; N57-L59 VanDerWaalsContact O-N 3.12Å | ||
| 58 | E | 47 | Very low | 50.3 | Low | 176 Ų | 176 | 123.9 Ų | 123.9 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | -80.8 | 94.2 | 167.6 | -73.5 | -173.9 | 174.8 | 0 | 0 | 106.5 | A56 D60 | A56-E58 PolarHBondContact O-N 3Å; E58-D60 VanDerWaalsContact C-N 3.28Å; E58-D60 PolarHBondContact O-N 3.29Å | ||
| 59 | L | 51.5 | Low | 50.5 | Low | 157 Ų | 157 | 121.3 Ų | 121.3 | 82% | 0.822 | 70% | 0.698 | S | S | * | * | trans | -61.8 | 93.1 | 169.7 | -68.8 | 169.9 | 0 | 0 | 0 | 107.7 | N57 L61 | N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 3.17Å; N57-L59 VanDerWaalsContact O-N 3.12Å; L59-L61 PolarHBondContact O-N 3.34Å; L59-L61 VanDerWaalsContact O-N 3.11Å | ||
| 60 | D | 54.5 | Low | 50.7 | Low | 124 Ų | 124 | 122.3 Ų | 122.3 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | trans | -61.3 | 110.7 | 167.6 | -168.6 | 20.5 | 0 | 0 | 0 | 107.8 | E58 M62 | E58-D60 VanDerWaalsContact C-N 3.28Å; E58-D60 PolarHBondContact O-N 3.29Å; D60-M62 PolarHBondContact O-N 3.47Å; D60-M62 WeakPolarHBondContact OD2-CE 3.45Å | ||
| 61 | L | 50.5 | Low | 51.1 | Low | 162 Ų | 162 | 118.9 Ų | 118.9 | 85% | 0.848 | 67% | 0.673 | S | S | * | * | trans | -71.4 | 83.8 | 176.1 | -108.4 | 77 | 0 | 0 | 0 | 107.7 | L59 N63 | L59-L61 PolarHBondContact O-N 3.34Å; L59-L61 VanDerWaalsContact O-N 3.11Å; L61-N63 PolarHBondContact O-N 2.7Å | ||
| 62 | M | 53.3 | Low | 51.3 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 58% | 0.581 | 66% | 0.664 | S | S | * | * | trans | -58.7 | 131 | 175.9 | -92.4 | -77.8 | 115.4 | 0 | 0 | 111.2 | D60 | D60-M62 PolarHBondContact O-N 3.47Å; D60-M62 WeakPolarHBondContact OD2-CE 3.45Å | ||
| 63 | N | 54.7 | Low | 51.3 | Low | 85 Ų | 85 | 123.1 Ų | 123.1 | 46% | 0.455 | 66% | 0.658 | S | S | . | * | trans | -69 | 127.1 | -179.1 | -175.9 | -5.2 | 0 | 0 | 0 | 109.9 | L61 N65 D66 | L61-N63 PolarHBondContact O-N 2.7Å; N63-N65 PolarHBondContact O-N 3.07Å; N63-D66 PolarHBondContact O-N 2.88Å; N63-D66 VanDerWaalsContact O-N 3.08Å | ||
| 64 | P | 58.4 | Low | 51.8 | Low | 88 Ų | 88 | 120.1 Ų | 120.1 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -61.6 | -16.2 | -173.7 | 21 | -33.9 | 0 | 0 | 0 | 115.5 | D66 I67 | P64-D66 VanDerWaalsContact C-N 3.27Å; P64-D66 PolarHBondContact O-N 2.96Å; P64-I67 HydrophobicContact CB-CD1 4.06Å; P64-I67 WeakPolarHBondContact O-CB 3.46Å; P64-I67 WeakPolarHBondContact O-CG1 3.22Å; P64-I67 PolarHBondContact O-N 2.83Å |
| 65 | N | 56.5 | Low | 52.5 | Low | 120 Ų | 120 | 119.5 Ų | 119.5 | 64% | 0.642 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -73.8 | -16.5 | 176.8 | -68.9 | -26.9 | 0 | 0 | 0 | 113.7 | N63 S68 | N63-N65 PolarHBondContact O-N 3.07Å; N65-S68 PolarHBondContact O-OG 3.47Å |
| 66 | D | 53.3 | Low | 53 | Low | 80 Ų | 80 | 118.8 Ų | 118.8 | 43% | 0.428 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -84.7 | -15.7 | 177.8 | -62.5 | -38.2 | 0 | 0 | 0 | 112.1 | N63 P64 S68 N69 | N63-D66 PolarHBondContact O-N 2.88Å; N63-D66 VanDerWaalsContact O-N 3.08Å; P64-D66 VanDerWaalsContact C-N 3.27Å; P64-D66 PolarHBondContact O-N 2.96Å; D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.2Å; D66-N69 PolarHBondContact O-N 3.17Å |
| 67 | I | 54.7 | Low | 53.4 | Low | 89 Ų | 89 | 119.6 Ų | 119.6 | 46% | 0.456 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.7 | -34.2 | -178.8 | -59.3 | 172.7 | 0 | 0 | 0 | 111.6 | P64 N69 E70 I71 | P64-I67 HydrophobicContact CB-CD1 4.06Å; P64-I67 WeakPolarHBondContact O-CB 3.46Å; P64-I67 WeakPolarHBondContact O-CG1 3.22Å; P64-I67 PolarHBondContact O-N 2.83Å; I67-N69 VanDerWaalsContact C-N 3.27Å; I67-N69 PolarHBondContact O-N 3.45Å; I67-E70 PolarHBondContact O-N 3.28Å; I67-I71 HydrophobicContact CG2-CD1 3.87Å; I67-I71 HydrophobicContact CG2-CG1 4.26Å; I67-I71 WeakPolarHBondContact O-CG1 3.5Å; I67-I71 PolarHBondContact O-N 3.1Å |
| 68 | S | 55.4 | Low | 53.7 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 57% | 0.573 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.8 | -31.7 | -177.5 | 24 | 0 | 0 | 0 | 0 | 113.3 | N65 D66 | N65-S68 PolarHBondContact O-OG 3.47Å; D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.2Å |
| 69 | N | 55.8 | Low | 53.9 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -82.5 | -32.9 | 179 | -67.3 | -14.8 | 0 | 0 | 0 | 111.3 | D66 I67 I71 E72 Y73 | D66-N69 PolarHBondContact O-N 3.17Å; I67-N69 VanDerWaalsContact C-N 3.27Å; I67-N69 PolarHBondContact O-N 3.45Å; N69-I71 PolarHBondContact O-N 3.15Å; N69-E72 PolarHBondContact O-N 2.82Å; N69-Y73 VanDerWaalsContact O-CD2 3.29Å; N69-Y73 WeakPolarHBondContact O-CD2 3.43Å |
| 70 | E | 52.5 | Low | 53.7 | Low | 121 Ų | 121 | 116.4 Ų | 116.4 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.6 | -27.3 | -179.4 | -70.4 | -166.2 | 168.4 | 0 | 0 | 113.8 | I67 E72 Y73 S74 | I67-E70 PolarHBondContact O-N 3.28Å; E70-E72 VanDerWaalsContact C-N 3.27Å; E70-E72 PolarHBondContact O-N 3.38Å; E70-Y73 PolarHBondContact O-N 3.05Å; E70-S74 WeakPolarHBondContact O-CB 3.4Å; E70-S74 PolarHBondContact O-N 3.38Å; E70-S74 PolarHBondContact O-OG 3.19Å |
| 71 | I | 56.3 | Low | 53.6 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 47% | 0.472 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.9 | -33.1 | 178.5 | -65.7 | 167.5 | 0 | 0 | 0 | 111.3 | I67 N69 R75 | I67-I71 HydrophobicContact CG2-CD1 3.87Å; I67-I71 HydrophobicContact CG2-CG1 4.26Å; I67-I71 WeakPolarHBondContact O-CG1 3.5Å; I67-I71 PolarHBondContact O-N 3.1Å; N69-I71 PolarHBondContact O-N 3.15Å; I71-R75 PolarHBondContact O-N 3.37Å |
| 72 | E | 53.4 | Low | 53.6 | Low | 133 Ų | 133 | 118.5 Ų | 118.5 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -73.1 | -47.4 | 179 | -157.8 | 156.5 | -157.4 | 0 | 0 | 110.6 | N69 E70 S74 R75 E76 | N69-E72 PolarHBondContact O-N 2.82Å; E70-E72 VanDerWaalsContact C-N 3.27Å; E70-E72 PolarHBondContact O-N 3.38Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 3.27Å; E72-R75 PolarHBondContact O-N 3.42Å; E72-E76 PolarHBondContact O-N 3.46Å |
| 73 | Y | 51.9 | Low | 53.3 | Low | 168 Ų | 168 | 120.8 Ų | 120.8 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.7 | -32.8 | 174.1 | -75.1 | -73.2 | 0 | 0 | 0 | 113.9 | N69 E70 R75 E76 T77 | N69-Y73 VanDerWaalsContact O-CD2 3.29Å; N69-Y73 WeakPolarHBondContact O-CD2 3.43Å; E70-Y73 PolarHBondContact O-N 3.05Å; Y73-R75 VanDerWaalsContact C-N 3.3Å; Y73-R75 PolarHBondContact O-N 3.46Å; Y73-E76 PolarHBondContact O-N 3.14Å; Y73-T77 PolarHBondContact O-N 3.12Å; Y73-T77 VanDerWaalsContact O-N 3.17Å; Y73-T77 PolarHBondContact O-OG1 3.39Å |
| 74 | S | 54.5 | Low | 52.8 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.1 | -28.3 | 178.8 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | E70 E72 T77 L78 | E70-S74 WeakPolarHBondContact O-CB 3.4Å; E70-S74 PolarHBondContact O-N 3.38Å; E70-S74 PolarHBondContact O-OG 3.19Å; E72-S74 VanDerWaalsContact C-N 3.32Å; E72-S74 PolarHBondContact O-N 3.27Å; S74-T77 WeakPolarHBondContact CA-OG1 3.44Å; S74-T77 PolarHBondContact O-OG1 3.25Å; S74-L78 PolarHBondContact O-N 3.39Å |
| 75 | R | 53 | Low | 51.8 | Low | 173 Ų | 173 | 125 Ų | 125 | 65% | 0.653 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.8 | -39.6 | 175.9 | -87.3 | -174.2 | 165.4 | 135.5 | -1.1 | 112 | I71 E72 Y73 L78 Y79 | I71-R75 PolarHBondContact O-N 3.37Å; E72-R75 PolarHBondContact O-N 3.42Å; Y73-R75 VanDerWaalsContact C-N 3.3Å; Y73-R75 PolarHBondContact O-N 3.46Å; R75-L78 PolarHBondContact O-N 3.1Å; R75-Y79 WeakPolarHBondContact O-CD2 3.46Å |
| 76 | E | 53 | Low | 51.1 | Low | 113 Ų | 113 | 125.3 Ų | 125.3 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.5 | -35.3 | 178.7 | -72.5 | 137.8 | -171.5 | 0 | 0 | 112.3 | E72 Y73 | E72-E76 PolarHBondContact O-N 3.46Å; Y73-E76 PolarHBondContact O-N 3.14Å |
| 77 | T | 54.9 | Low | 50.5 | Low | 96 Ų | 96 | 127.8 Ų | 127.8 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.3 | -27.1 | 177.9 | 44.5 | 0 | 0 | 0 | 0 | 113.7 | Y73 S74 N80 | Y73-T77 PolarHBondContact O-N 3.12Å; Y73-T77 VanDerWaalsContact O-N 3.17Å; Y73-T77 PolarHBondContact O-OG1 3.39Å; S74-T77 WeakPolarHBondContact CA-OG1 3.44Å; S74-T77 PolarHBondContact O-OG1 3.25Å; T77-N80 PolarHBondContact O-N 3.26Å |
| 78 | L | 53.5 | Low | 50 | Low | 131 Ų | 131 | 133.9 Ų | 133.9 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.3 | -32.9 | 176.2 | -97.2 | 161.8 | 0 | 0 | 0 | 113.2 | S74 R75 N80 | S74-L78 PolarHBondContact O-N 3.39Å; R75-L78 PolarHBondContact O-N 3.1Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 3.26Å |
| 79 | Y | 49.4 | Very low | 49.4 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.3 | -18 | 177.8 | -72.6 | -71 | 0 | 0 | 0 | 113.3 | R75 | R75-Y79 WeakPolarHBondContact O-CD2 3.46Å |
| 80 | N | 49.3 | Very low | 49 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 56% | 0.561 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -93.1 | -4.7 | -176.8 | -132.3 | -0.4 | 0 | 0 | 0 | 114.1 | T77 L78 N82 | T77-N80 PolarHBondContact O-N 3.26Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 3.26Å; N80-N82 PolarHBondContact O-N 3.48Å |
| 81 | Y | 51.3 | Low | 48.6 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -70.4 | -16.7 | -180 | -164.8 | -99.5 | 0 | 0 | 0 | 113.3 | ||
| 82 | N | 49.6 | Very low | 48 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -96 | -13.3 | -177.1 | -70.8 | -31.1 | 0 | 0 | 0 | 115 | N80 | N80-N82 PolarHBondContact O-N 3.48Š|
| 83 | E | 48.1 | Very low | 47.5 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -99.2 | -5.8 | -168.8 | -164.7 | 154.5 | -163.7 | 0 | 0 | 115.1 | ||
| 84 | S | 43.5 | Very low | 47 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -119.1 | 64.5 | 178 | 43.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 85 | H | 38.7 | Very low | 46.5 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | trans | -61 | 141.4 | 153.1 | -91.3 | 45 | 0 | 0 | 0 | 110.1 | ||||
| 86 | T | 40.7 | Very low | 46 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 86 | 73.4 | 149.4 | 70.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 87 | V | 40.4 | Very low | 45.6 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | -155.8 | 113.7 | 129.1 | -148 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 88 | R | 45 | Very low | 45.2 | Very low | 216 Ų | 216 | 151.7 Ų | 151.7 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | -170.9 | 131.5 | 70 | -74.3 | 171.2 | 99.2 | 96.8 | 0.8 | 107.8 | S90 | R88-S90 PolarHBondContact O-N 3.04Š| |||
| 89 | E | 43.6 | Very low | 44.8 | Very low | 199 Ų | 199 | 151.9 Ų | 151.9 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | trans | -52.3 | 99.9 | 173.8 | -59.9 | 168.4 | -175.1 | 0 | 0 | 111.4 | ||||
| 90 | S | 45.8 | Very low | 44.8 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -114.5 | 77.6 | 166.6 | -62.8 | 0 | 0 | 0 | 0 | 108.2 | R88 T92 | R88-S90 PolarHBondContact O-N 3.04Å; S90-T92 PolarHBondContact O-N 3.42Å | ||
| 91 | R | 43.8 | Very low | 44.6 | Very low | 242 Ų | 242 | 150.9 Ų | 150.9 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | trans | 26.3 | 84.5 | 155.1 | -66.4 | 178.5 | 170.3 | 145.6 | -1.8 | 114 | N93 | R91-N93 PolarHBondContact O-N 3.26Š| ||
| 92 | T | 44.1 | Very low | 44.4 | Very low | 121 Ų | 121 | 146 Ų | 146 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -61.5 | 100 | 169 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | S90 S94 | S90-T92 PolarHBondContact O-N 3.42Å; T92-S94 PolarHBondContact O-N 3.49Å | ||
| 93 | N | 43 | Very low | 44.4 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | -73.1 | 77.8 | 145.6 | -79.8 | -16.1 | 0 | 0 | 0 | 105.9 | R91 F95 | R91-N93 PolarHBondContact O-N 3.26Å; N93-F95 VanDerWaalsContact C-N 3.29Å; N93-F95 PolarHBondContact O-N 3.04Å | ||
| 94 | S | 42.3 | Very low | 44.7 | Very low | 98 Ų | 98 | 153.9 Ų | 153.9 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -64.8 | 93.7 | 174 | 47.9 | 0 | 0 | 0 | 0 | 107.8 | T92 Q96 | T92-S94 PolarHBondContact O-N 3.49Å; S94-Q96 PolarHBondContact O-N 2.87Å | ||
| 95 | F | 43.7 | Very low | 44.9 | Very low | 168 Ų | 168 | 157.5 Ų | 157.5 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | trans | -66.5 | 97.2 | 154.6 | -77.2 | -80.4 | 0 | 0 | 0 | 106.1 | N93 F97 | N93-F95 VanDerWaalsContact C-N 3.29Å; N93-F95 PolarHBondContact O-N 3.04Å; F95-F97 HydrophobicContact CB-CD2 4.18Å; F95-F97 HydrophobicContact CB-CE2 3.89Å; F95-F97 PolarHBondContact O-N 3.22Å | ||
| 96 | Q | 42.2 | Very low | 45.8 | Very low | 153 Ų | 153 | 155.1 Ų | 155.1 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -58.6 | 88.3 | 158.9 | -179.1 | 179.3 | -14.5 | 0 | 0 | 106 | S94 D98 | S94-Q96 PolarHBondContact O-N 2.87Å; Q96-D98 PolarHBondContact NE2-OD1 3Å; Q96-D98 PolarHBondContact O-N 2.98Å | ||
| 97 | F | 45.3 | Very low | 46.1 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | -69.7 | 95.5 | 154.2 | -73.5 | -77.6 | 0 | 0 | 0 | 104 | F95 N99 | F95-F97 HydrophobicContact CB-CD2 4.18Å; F95-F97 HydrophobicContact CB-CE2 3.89Å; F95-F97 PolarHBondContact O-N 3.22Å; F97-N99 PolarHBondContact O-N 2.84Å | ||
| 98 | D | 45.1 | Very low | 46.7 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 56% | 0.556 | 77% | 0.767 | S | S | * | * | trans | -41.7 | 122.5 | 158.2 | -73.8 | -35.2 | 0 | 0 | 0 | 105.5 | Q96 I100 | Q96-D98 PolarHBondContact NE2-OD1 3Å; Q96-D98 PolarHBondContact O-N 2.98Å; D98-I100 HydrophobicContact CB-CG1 4.19Å; D98-I100 PolarHBondContact O-N 2.71Å | ||
| 99 | N | 45.9 | Very low | 47 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -66.7 | 69.6 | 176.9 | -168 | 10.7 | 0 | 0 | 0 | 106.6 | F97 M101 | F97-N99 PolarHBondContact O-N 2.84Å; N99-M101 PolarHBondContact O-N 2.78Å | ||
| 100 | I | 49.2 | Very low | 47.3 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | trans | -70.1 | 83.7 | 164.3 | -44.8 | 176.5 | 0 | 0 | 0 | 101.8 | D98 C102 | D98-I100 HydrophobicContact CB-CG1 4.19Å; D98-I100 PolarHBondContact O-N 2.71Å; I100-C102 HydrophobicContact CG2-CB 4.45Å; I100-C102 WeakPolarHBondContact CG2-SG 3.46Å; I100-C102 PolarHBondContact O-N 2.81Å | ||
| 101 | M | 45 | Very low | 47.2 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -53 | 73.3 | 145.3 | -82.7 | -174.4 | -73.9 | 0 | 0 | 105.9 | N99 R103 | N99-M101 PolarHBondContact O-N 2.78Å; M101-R103 PolarHBondContact O-N 2.94Å | ||
| 102 | C | 48 | Very low | 47.4 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 64% | 0.635 | 74% | 0.741 | S | S | * | * | trans | -59.7 | 92 | 152.5 | -75.5 | 0 | 0 | 0 | 0 | 102 | I100 R104 | I100-C102 HydrophobicContact CG2-CB 4.45Å; I100-C102 WeakPolarHBondContact CG2-SG 3.46Å; I100-C102 PolarHBondContact O-N 2.81Å; C102-R104 VanDerWaalsContact C-N 3.28Å; C102-R104 PolarHBondContact O-N 3.27Å | ||
| 103 | R | 48.8 | Very low | 47.4 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -34.4 | 102.5 | 165.1 | -176.3 | -174 | -137.3 | 173 | 5 | 104.8 | M101 Q105 | M101-R103 PolarHBondContact O-N 2.94Å; R103-Q105 VanDerWaalsContact C-N 3.25Å; R103-Q105 PolarHBondContact O-N 3.49Å | ||
| 104 | R | 54.7 | Low | 47.7 | Very low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | -57.1 | 102.8 | -176.3 | -80.9 | -179.5 | 156.9 | -150.6 | -4 | 103.8 | C102 S106 | C102-R104 VanDerWaalsContact C-N 3.28Å; C102-R104 PolarHBondContact O-N 3.27Å; R104-S106 VanDerWaalsContact C-N 3.35Å; R104-S106 PolarHBondContact O-N 3.27Å | ||
| 105 | Q | 47.5 | Very low | 47.7 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -58.3 | 114.1 | 170.9 | -72.8 | -175 | -19.5 | 0 | 0 | 102.7 | R103 V107 | R103-Q105 VanDerWaalsContact C-N 3.25Å; R103-Q105 PolarHBondContact O-N 3.49Å; Q105-V107 PolarHBondContact O-N 3.12Å | ||
| 106 | S | 56.9 | Low | 48 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -49.2 | 110.6 | -177.9 | 46.7 | 0 | 0 | 0 | 0 | 107 | R104 S108 | R104-S106 VanDerWaalsContact C-N 3.35Å; R104-S106 PolarHBondContact O-N 3.27Å; S106-S108 VanDerWaalsContact C-N 3.31Å; S106-S108 PolarHBondContact O-N 3.43Å | ||
| 107 | V | 48.5 | Very low | 48.3 | Very low | 135 Ų | 135 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -69.4 | 102.4 | 170.9 | -173.9 | 0 | 0 | 0 | 0 | 103.8 | Q105 L109 | Q105-V107 PolarHBondContact O-N 3.12Å; V107-L109 PolarHBondContact O-N 3.4Å | ||
| 108 | S | 52.7 | Low | 48.6 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -57.3 | 112.8 | 170.8 | 47.4 | 0 | 0 | 0 | 0 | 106.6 | S106 | S106-S108 VanDerWaalsContact C-N 3.31Å; S106-S108 PolarHBondContact O-N 3.43Å | ||
| 109 | L | 51.7 | Low | 48.9 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 140.2 | 170.8 | -77.5 | 158.7 | 0 | 0 | 0 | 107.9 | V107 G111 | V107-L109 PolarHBondContact O-N 3.4Å; L109-G111 PolarHBondContact O-N 3.05Å |
| 110 | P | 49.8 | Very low | 49.2 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 117.5 | -179.9 | -22.9 | 30.6 | 0 | 0 | 0 | 108 | F112 | P110-F112 PolarHBondContact O-N 3.4Å; P110-F112 VanDerWaalsContact O-N 3.08Å |
| 111 | G | 43.2 | Very low | 49.3 | Very low | 59 Ų | 59 | 137.8 Ų | 137.8 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 124.8 | -175 | 0 | 0 | 0 | 0 | 0 | 108 | L109 H113 | L109-G111 PolarHBondContact O-N 3.05Å; G111-H113 PolarHBondContact O-N 3.19Å |
| 112 | F | 47 | Very low | 49.7 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 77% | 0.768 | 74% | 0.736 | S | S | * | * | trans | -53.1 | 100.9 | 168.9 | -73.5 | -85.3 | 0 | 0 | 0 | 105.2 | P110 E114 L116 | P110-F112 PolarHBondContact O-N 3.4Å; P110-F112 VanDerWaalsContact O-N 3.08Å; F112-E114 VanDerWaalsContact C-N 3.31Å; F112-E114 PolarHBondContact O-N 3.28Å; F112-L116 HydrophobicContact CD1-CD1 4.24Å | ||
| 113 | H | 45.5 | Very low | 50 | Low | 175 Ų | 175 | 135.3 Ų | 135.3 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -57.8 | 107.5 | 174.4 | -99.2 | -80 | 0 | 0 | 0 | 104.5 | G111 G115 L116 | G111-H113 PolarHBondContact O-N 3.19Å; H113-G115 VanDerWaalsContact C-N 3.31Å; H113-G115 WeakPolarHBondContact O-CA 3.38Å; H113-G115 PolarHBondContact O-N 2.96Å; H113-L116 PolarHBondContact O-N 3.27Å | ||
| 114 | E | 48.6 | Very low | 50.3 | Low | 204 Ų | 204 | 134.4 Ų | 134.4 | 95% | 0.953 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.3 | 99.7 | 168 | -157.5 | 170.9 | -154.4 | 0 | 0 | 106.3 | F112 | F112-E114 VanDerWaalsContact C-N 3.31Å; F112-E114 PolarHBondContact O-N 3.28Å |
| 115 | G | 43.5 | Very low | 50.2 | Low | 54 Ų | 54 | 130.2 Ų | 130.2 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.5 | -11.9 | -153.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H113 N117 | H113-G115 VanDerWaalsContact C-N 3.31Å; H113-G115 WeakPolarHBondContact O-CA 3.38Å; H113-G115 PolarHBondContact O-N 2.96Å; G115-N117 PolarHBondContact O-N 2.95Å |
| 116 | L | 48.7 | Very low | 50.5 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 59% | 0.592 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -63.2 | 92.3 | 155 | -68.3 | -179.4 | 0 | 0 | 0 | 107.9 | F112 H113 T118 | F112-L116 HydrophobicContact CD1-CD1 4.24Å; H113-L116 PolarHBondContact O-N 3.27Å; L116-T118 VanDerWaalsContact C-N 3.35Å; L116-T118 WeakPolarHBondContact O-CG2 3.32Å; L116-T118 PolarHBondContact O-N 3.45Å |
| 117 | N | 48.5 | Very low | 50.4 | Low | 137 Ų | 137 | 128.4 Ų | 128.4 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | trans | -37.9 | 97.4 | 169.2 | -64.4 | -59.3 | 0 | 0 | 0 | 109.6 | G115 G119 K120 | G115-N117 PolarHBondContact O-N 2.95Å; N117-G119 PolarHBondContact O-N 3.48Å; N117-K120 PolarHBondContact O-N 3.42Å | ||
| 118 | T | 53 | Low | 50.9 | Low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -1.7 | -170.9 | 41.2 | 0 | 0 | 0 | 0 | 113.3 | L116 | L116-T118 VanDerWaalsContact C-N 3.35Å; L116-T118 WeakPolarHBondContact O-CG2 3.32Å; L116-T118 PolarHBondContact O-N 3.45Å |
| 119 | G | 51.5 | Low | 51.2 | Low | 56 Ų | 56 | 123 Ų | 123 | 58% | 0.577 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -23.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | N117 | N117-G119 PolarHBondContact O-N 3.48Š|
| 120 | K | 51.6 | Low | 51.6 | Low | 176 Ų | 176 | 122.2 Ų | 122.2 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -95.5 | -23.4 | -169.6 | -82.2 | -174.1 | 177.9 | 179.1 | 0 | 115.8 | N117 | N117-K120 PolarHBondContact O-N 3.42Š|
| 121 | L | 51.8 | Low | 52.2 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 61% | 0.607 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -82.5 | -22.5 | -180 | -68.7 | 177.2 | 0 | 0 | 0 | 113.1 | S123 R124 | L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 3.18Å; L121-R124 PolarHBondContact O-N 3.35Å |
| 122 | V | 53.2 | Low | 53.1 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 64% | 0.642 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -68 | -30.8 | 178.9 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | R124 | V122-R124 VanDerWaalsContact C-N 3.32Å; V122-R124 PolarHBondContact O-N 3.28Å |
| 123 | S | 54.3 | Low | 54 | Low | 90 Ų | 90 | 121.7 Ų | 121.7 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -71.2 | -23.1 | -178.4 | -44.5 | 0 | 0 | 0 | 0 | 114.1 | L121 | L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 3.18Å |
| 124 | R | 54 | Low | 55 | Low | 210 Ų | 210 | 118.9 Ų | 118.9 | 79% | 0.792 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -81.6 | -14.2 | -177.9 | -75.6 | -176.9 | 70.6 | 179.5 | 1.6 | 113.8 | L121 V122 | L121-R124 PolarHBondContact O-N 3.35Å; V122-R124 VanDerWaalsContact C-N 3.32Å; V122-R124 PolarHBondContact O-N 3.28Å |
| 125 | L | 52.6 | Low | 55.7 | Low | 149 Ų | 149 | 113.5 Ų | 113.5 | 78% | 0.78 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -99.1 | -5.5 | -178.9 | -64.8 | 177.7 | 0 | 0 | 0 | 113.8 | ||
| 126 | S | 55.2 | Low | 56.7 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -10.6 | -173.8 | -163.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 127 | L | 54.6 | Low | 57.7 | Low | 151 Ų | 151 | 116.5 Ų | 116.5 | 79% | 0.791 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -5.5 | -172.6 | -161.2 | 62.9 | 0 | 0 | 0 | 114.8 | ||
| 128 | V | 57.8 | Low | 58.7 | Low | 86 Ų | 86 | 115.8 Ų | 115.8 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -103.4 | -5 | -174.9 | -166.5 | 0 | 0 | 0 | 0 | 112.8 | L132 | V128-L132 HydrophobicContact CG1-CD1 3.86Å; V128-L132 HydrophobicContact CG1-CG 4.3Å; V128-L132 WeakPolarHBondContact O-CB 3.37Å; V128-L132 WeakPolarHBondContact O-CD1 3.32Å; V128-L132 WeakPolarHBondContact O-CG 3.27Å; V128-L132 PolarHBondContact O-N 3.45Å |
| 129 | G | 58.4 | Low | 59.5 | Low | 42 Ų | 42 | 113.5 Ų | 113.5 | 43% | 0.433 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.4 | -49.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | L132 E133 | G129-L132 PolarHBondContact O-N 3.06Å; G129-E133 PolarHBondContact O-N 3.45Å |
| 130 | D | 61.2 | Low | 59.9 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.8 | -41.7 | -170.8 | -62 | -13.9 | 0 | 0 | 0 | 111.9 | L132 E133 E134 | D130-L132 PolarHBondContact O-N 3.03Å; D130-E133 PolarHBondContact O-N 3.25Å; D130-E134 PolarHBondContact O-N 3.48Å |
| 131 | E | 61.7 | Low | 60.4 | Low | 135 Ų | 135 | 116.7 Ų | 116.7 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.3 | -36.4 | 177.7 | -64.2 | -173.5 | 174.7 | 0 | 0 | 112.3 | N135 | E131-N135 WeakPolarHBondContact O-CB 3.38Å; E131-N135 VanDerWaalsContact O-CG 3.27Å; E131-N135 PolarHBondContact O-N 3.01Å; E131-N135 VanDerWaalsContact O-N 3.12Å; E131-N135 PolarHBondContact O-ND2 3.25Å; E131-N135 VanDerWaalsContact O-ND2 3.14Å |
| 132 | L | 63 | Low | 60.7 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.4 | -39.1 | 175.2 | -84.6 | 168.1 | 0 | 0 | 0 | 111.7 | V128 G129 D130 N135 L136 | V128-L132 HydrophobicContact CG1-CD1 3.86Å; V128-L132 HydrophobicContact CG1-CG 4.3Å; V128-L132 WeakPolarHBondContact O-CB 3.37Å; V128-L132 WeakPolarHBondContact O-CD1 3.32Å; V128-L132 WeakPolarHBondContact O-CG 3.27Å; V128-L132 PolarHBondContact O-N 3.45Å; G129-L132 PolarHBondContact O-N 3.06Å; D130-L132 PolarHBondContact O-N 3.03Å; L132-N135 PolarHBondContact O-N 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.41Å; L132-L136 PolarHBondContact O-N 3.35Å |
| 133 | E | 65.2 | Low | 60.9 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 178.5 | -163.6 | -174.5 | 147.5 | 0 | 0 | 111.8 | G129 D130 L136 K137 | G129-E133 PolarHBondContact O-N 3.45Å; D130-E133 PolarHBondContact O-N 3.25Å; E133-L136 PolarHBondContact O-N 3.17Å; E133-K137 PolarHBondContact O-N 3.46Å; E133-K137 VanDerWaalsContact O-N 3.07Å; E133-K137 VanDerWaalsContact OE1-CE 3.22Å; E133-K137 WeakPolarHBondContact OE1-CE 3.48Å; E133-K137 IonicContact OE1-NZ 2.7Å; E133-K137 PolarHBondContact OE1-NZ 2.98Å |
| 134 | E | 65.9 | Low | 61 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -42.2 | 174.5 | -76.2 | -164.9 | 178.7 | 0 | 0 | 112.6 | D130 L136 K137 K138 | D130-E134 PolarHBondContact O-N 3.48Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.46Å; E134-K137 PolarHBondContact O-N 3.22Å; E134-K138 WeakPolarHBondContact O-CG 3.2Å; E134-K138 PolarHBondContact O-N 3.19Å |
| 135 | N | 63.8 | Low | 61.1 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -39.7 | 178.3 | -76.7 | -28.2 | 0 | 0 | 0 | 111.7 | E131 L132 K138 V139 | E131-N135 WeakPolarHBondContact O-CB 3.38Å; E131-N135 VanDerWaalsContact O-CG 3.27Å; E131-N135 PolarHBondContact O-N 3.01Å; E131-N135 VanDerWaalsContact O-N 3.12Å; E131-N135 PolarHBondContact O-ND2 3.25Å; E131-N135 VanDerWaalsContact O-ND2 3.14Å; L132-N135 PolarHBondContact O-N 3.28Å; N135-K138 PolarHBondContact O-N 3.38Å; N135-V139 WeakPolarHBondContact O-CG2 3.2Å; N135-V139 PolarHBondContact O-N 3.48Å |
| 136 | L | 65.9 | Low | 61.3 | Low | 115 Ų | 115 | 105.4 Ų | 105.4 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.5 | -37.4 | 175.2 | -76.1 | 169.4 | 0 | 0 | 0 | 112.7 | L132 E133 E134 V139 R140 | L132-L136 WeakPolarHBondContact O-CG 3.41Å; L132-L136 PolarHBondContact O-N 3.35Å; E133-L136 PolarHBondContact O-N 3.17Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.46Å; L136-V139 PolarHBondContact O-N 3.43Å; L136-R140 PolarHBondContact O-N 3.33Å |
| 137 | K | 69.2 | Low | 61.2 | Low | 115 Ų | 115 | 105.8 Ų | 105.8 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174.7 | -74.8 | 173.7 | -174.3 | 161.7 | 0 | 111.7 | E133 E134 V139 R140 I141 | E133-K137 PolarHBondContact O-N 3.46Å; E133-K137 VanDerWaalsContact O-N 3.07Å; E133-K137 VanDerWaalsContact OE1-CE 3.22Å; E133-K137 WeakPolarHBondContact OE1-CE 3.48Å; E133-K137 IonicContact OE1-NZ 2.7Å; E133-K137 PolarHBondContact OE1-NZ 2.98Å; E134-K137 PolarHBondContact O-N 3.22Å; K137-V139 VanDerWaalsContact C-N 3.35Å; K137-V139 PolarHBondContact O-N 2.87Å; K137-R140 PolarHBondContact O-N 2.71Å; K137-I141 WeakPolarHBondContact O-CG1 3.48Å; K137-I141 PolarHBondContact O-N 3.49Å |
| 138 | K | 69.4 | Low | 61.2 | Low | 123 Ų | 123 | 106.7 Ų | 106.7 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.5 | -72 | 170.9 | -173 | 163.5 | 0 | 112.3 | E134 N135 R140 I141 S142 | E134-K138 WeakPolarHBondContact O-CG 3.2Å; E134-K138 PolarHBondContact O-N 3.19Å; N135-K138 PolarHBondContact O-N 3.38Å; K138-R140 PolarHBondContact O-N 3.23Å; K138-I141 PolarHBondContact O-N 3.33Å; K138-S142 PolarHBondContact O-N 2.86Å; K138-S142 PolarHBondContact O-OG 3.45Å |
| 139 | V | 68.7 | Low | 60.9 | Low | 83 Ų | 83 | 112.7 Ų | 112.7 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -35 | 178.7 | 173.9 | 0 | 0 | 0 | 0 | 112.5 | N135 L136 K137 S142 N143 | N135-V139 WeakPolarHBondContact O-CG2 3.2Å; N135-V139 PolarHBondContact O-N 3.48Å; L136-V139 PolarHBondContact O-N 3.43Å; K137-V139 VanDerWaalsContact C-N 3.35Å; K137-V139 PolarHBondContact O-N 2.87Å; V139-S142 PolarHBondContact O-OG 3.47Å; V139-N143 PolarHBondContact O-N 3.27Å |
| 140 | R | 60.5 | Low | 60.2 | Low | 201 Ų | 201 | 119.7 Ų | 119.7 | 76% | 0.758 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.4 | -41.9 | 176.6 | -73.7 | -176.1 | -178.8 | -178.4 | 1.6 | 112.2 | L136 K137 K138 N143 E144 | L136-R140 PolarHBondContact O-N 3.33Å; K137-R140 PolarHBondContact O-N 2.71Å; K138-R140 PolarHBondContact O-N 3.23Å; R140-N143 PolarHBondContact O-N 3.06Å; R140-E144 PolarHBondContact O-N 3.46Å; R140-E144 VanDerWaalsContact O-N 3.1Å |
| 141 | I | 62.2 | Low | 59.4 | Low | 99 Ų | 99 | 123.4 Ų | 123.4 | 51% | 0.508 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | -179.9 | -62.8 | 166.3 | 0 | 0 | 0 | 110.7 | K137 K138 N143 E144 I145 | K137-I141 WeakPolarHBondContact O-CG1 3.48Å; K137-I141 PolarHBondContact O-N 3.49Å; K138-I141 PolarHBondContact O-N 3.33Å; I141-N143 VanDerWaalsContact C-N 3.35Å; I141-N143 PolarHBondContact O-N 3.3Å; I141-E144 PolarHBondContact O-N 3.31Å; I141-I145 HydrophobicContact CG2-CD1 3.85Å; I141-I145 WeakPolarHBondContact O-CG1 3.29Å; I141-I145 PolarHBondContact O-N 3.27Å |
| 142 | S | 58 | Low | 58.8 | Low | 62 Ų | 62 | 123.8 Ų | 123.8 | 43% | 0.434 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 178.6 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | K138 V139 I145 S146 | K138-S142 PolarHBondContact O-N 2.86Å; K138-S142 PolarHBondContact O-OG 3.45Å; V139-S142 PolarHBondContact O-OG 3.47Å; S142-I145 PolarHBondContact O-N 3.39Å; S142-S146 PolarHBondContact O-N 3.41Å |
| 143 | N | 56.9 | Low | 58 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 51% | 0.508 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.3 | -35.7 | 174.5 | -89.2 | -3.8 | 0 | 0 | 0 | 113.1 | V139 R140 I141 S146 N147 | V139-N143 PolarHBondContact O-N 3.27Å; R140-N143 PolarHBondContact O-N 3.06Å; I141-N143 VanDerWaalsContact C-N 3.35Å; I141-N143 PolarHBondContact O-N 3.3Å; N143-S146 PolarHBondContact O-N 3.15Å; N143-S146 PolarHBondContact O-OG 3.12Å; N143-N147 PolarHBondContact O-N 2.87Å |
| 144 | E | 56.7 | Low | 56.9 | Low | 123 Ų | 123 | 128 Ų | 128 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.3 | -36.8 | 176.8 | -156.8 | 177.9 | 178.7 | 0 | 0 | 111.6 | R140 I141 K148 | R140-E144 PolarHBondContact O-N 3.46Å; R140-E144 VanDerWaalsContact O-N 3.1Å; I141-E144 PolarHBondContact O-N 3.31Å; E144-K148 PolarHBondContact O-N 3.46Å |
| 145 | I | 57.3 | Low | 56 | Low | 89 Ų | 89 | 129.3 Ų | 129.3 | 46% | 0.456 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.9 | -39.1 | 173.6 | -63.8 | 163.6 | 0 | 0 | 0 | 111.1 | I141 S142 K148 R149 | I141-I145 HydrophobicContact CG2-CD1 3.85Å; I141-I145 WeakPolarHBondContact O-CG1 3.29Å; I141-I145 PolarHBondContact O-N 3.27Å; S142-I145 PolarHBondContact O-N 3.39Å; I145-K148 PolarHBondContact O-N 3.45Å; I145-R149 PolarHBondContact O-N 3.26Å |
| 146 | S | 55.8 | Low | 55.1 | Low | 65 Ų | 65 | 130.8 Ų | 130.8 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -38 | 179.2 | 89.3 | 0 | 0 | 0 | 0 | 111.9 | S142 N143 K148 R149 | S142-S146 PolarHBondContact O-N 3.41Å; N143-S146 PolarHBondContact O-N 3.15Å; N143-S146 PolarHBondContact O-OG 3.12Å; S146-K148 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 2.91Å; S146-R149 PolarHBondContact O-N 3.34Å; S146-R149 VanDerWaalsContact O-N 3.12Å |
| 147 | N | 53 | Low | 54.2 | Low | 105 Ų | 105 | 130 Ų | 130 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.4 | -27 | 176.5 | -84.7 | -30.6 | 0 | 0 | 0 | 113.6 | N143 R149 R150 | N143-N147 PolarHBondContact O-N 2.87Å; N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R150 VanDerWaalsContact O-CB 3.27Å; N147-R150 WeakPolarHBondContact O-CB 3.41Å; N147-R150 PolarHBondContact O-N 3.11Å |
| 148 | K | 55.1 | Low | 53.2 | Low | 169 Ų | 169 | 130.8 Ų | 130.8 | 74% | 0.735 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73.8 | -19.2 | 172.5 | -73.1 | 179.2 | -176.7 | 174 | 0 | 113.4 | E144 I145 S146 R150 | E144-K148 PolarHBondContact O-N 3.46Å; I145-K148 PolarHBondContact O-N 3.45Å; S146-K148 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 2.91Å; K148-R150 VanDerWaalsContact C-N 3.26Å; K148-R150 PolarHBondContact O-N 3.08Å |
| 149 | R | 51.8 | Low | 52.1 | Low | 213 Ų | 213 | 130.4 Ų | 130.4 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 19.2 | 173.9 | -72.1 | -171.9 | -170.8 | 159.6 | 3.6 | 113.3 | I145 S146 N147 W151 | I145-R149 PolarHBondContact O-N 3.26Å; S146-R149 PolarHBondContact O-N 3.34Å; S146-R149 VanDerWaalsContact O-N 3.12Å; N147-R149 VanDerWaalsContact C-N 3.3Å; R149-W151 PolarHBondContact O-N 3Å |
| 150 | R | 43.6 | Very low | 51 | Low | 188 Ų | 188 | 135.8 Ų | 135.8 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | trans | -88.5 | 91.9 | -177.8 | -152.3 | 171.2 | 79.6 | 142 | 2.6 | 111.1 | N147 K148 | N147-R150 VanDerWaalsContact O-CB 3.27Å; N147-R150 WeakPolarHBondContact O-CB 3.41Å; N147-R150 PolarHBondContact O-N 3.11Å; K148-R150 VanDerWaalsContact C-N 3.26Å; K148-R150 PolarHBondContact O-N 3.08Å | ||
| 151 | W | 43.2 | Very low | 50.3 | Low | 202 Ų | 202 | 132.3 Ų | 132.3 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | trans | 65.1 | 105 | 151 | -54.3 | 70 | 0 | 0 | 0 | 119.8 | R149 I153 | R149-W151 PolarHBondContact O-N 3Å; W151-I153 HydrophobicContact CB-CG1 4.33Å; W151-I153 HydrophobicContact CD2-CD1 4.32Å; W151-I153 HydrophobicContact CD2-CG1 4.4Å; W151-I153 HydrophobicContact CE3-CD1 3.5Å; W151-I153 HydrophobicContact CE3-CG1 3.51Å; W151-I153 HydrophobicContact CZ3-CD1 4.01Å; W151-I153 HydrophobicContact CZ3-CG1 4.24Å | ||
| 152 | T | 49.2 | Very low | 49.6 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -94.7 | 100.4 | 142.1 | 49 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 153 | I | 47.6 | Very low | 49.2 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | -91.5 | 143.4 | 159.5 | -56.2 | 171 | 0 | 0 | 0 | 105.3 | W151 | W151-I153 HydrophobicContact CB-CG1 4.33Å; W151-I153 HydrophobicContact CD2-CD1 4.32Å; W151-I153 HydrophobicContact CD2-CG1 4.4Å; W151-I153 HydrophobicContact CE3-CD1 3.5Å; W151-I153 HydrophobicContact CE3-CG1 3.51Å; W151-I153 HydrophobicContact CZ3-CD1 4.01Å; W151-I153 HydrophobicContact CZ3-CG1 4.24Å | ||
| 154 | F | 40.9 | Very low | 48.8 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 94.4 | 115.1 | -168 | -73.2 | -98.9 | 0 | 0 | 0 | 111.2 | ||||
| 155 | D | 46.6 | Very low | 48.4 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | -131.5 | 126.4 | 50.5 | -65 | -45.9 | 0 | 0 | 0 | 114.9 | S157 | D155-S157 VanDerWaalsContact C-N 3.32Å; D155-S157 PolarHBondContact O-N 3.43Å; D155-S157 VanDerWaalsContact O-N 3.15Å | |||
| 156 | C | 44.9 | Very low | 47.8 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -76.5 | 81.8 | 158.6 | -79.5 | 0 | 0 | 0 | 0 | 109.1 | T158 | C156-T158 PolarHBondContact O-N 3.18Š| ||
| 157 | S | 46.7 | Very low | 47.3 | Very low | 100 Ų | 100 | 157.3 Ų | 157.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -91 | 88.2 | 163.4 | 37.3 | 0 | 0 | 0 | 0 | 109 | D155 S159 | D155-S157 VanDerWaalsContact C-N 3.32Å; D155-S157 PolarHBondContact O-N 3.43Å; D155-S157 VanDerWaalsContact O-N 3.15Å; S157-S159 VanDerWaalsContact C-N 3.32Å; S157-S159 PolarHBondContact O-N 2.96Å | ||
| 158 | T | 48.1 | Very low | 47 | Very low | 131 Ų | 131 | 160.8 Ų | 160.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -64.2 | 88.4 | 165.3 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | C156 | C156-T158 PolarHBondContact O-N 3.18Š| ||
| 159 | S | 47.1 | Very low | 46.4 | Very low | 115 Ų | 115 | 160.2 Ų | 160.2 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 121.7 | 166.5 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | S157 | S157-S159 VanDerWaalsContact C-N 3.32Å; S157-S159 PolarHBondContact O-N 2.96Å |
| 160 | K | 45.1 | Very low | 46 | Very low | 195 Ų | 195 | 156.2 Ų | 156.2 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 155 | -160.8 | -65 | 169.8 | 175.6 | 176.1 | 0 | 114.4 | ||
| 161 | P | 46.5 | Very low | 46.2 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 122.2 | 166.2 | 32.6 | -28.4 | 0 | 0 | 0 | 109.4 | ||
| 162 | E | 48.1 | Very low | 46.4 | Very low | 272 Ų | 272 | 149.1 Ų | 149.1 | 100% | 1.271 | 83% | 0.826 | S | S | * | * | trans | -131.1 | 0 | 155 | -99.5 | -174.7 | 166.7 | 0 | 0 | 108.1 |
Retrieved 162 of 162 residues in 82.9 ms
(Link to these results)