| 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 | 38.5 | Very low | 34.6 | Very low | 249 Ų | 249 | 144.3 Ų | 144.3 | 100% | 1.227 | 79% | 0.791 | S | S | * | * | 0 | 97.8 | 0 | -67.6 | 159.8 | 123.6 | 0 | 0 | 106.9 | |||||
| 2 | S | 39.6 | Very low | 34.8 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -154.6 | 110.8 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | T4 | S2-T4 PolarHBondContact O-N 3.46Š| ||
| 3 | S | 34.7 | Very low | 35.2 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -72 | 116.2 | 178.2 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | T | 39.3 | Very low | 35.1 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | -91.6 | 102 | 176.5 | -50.1 | 0 | 0 | 0 | 0 | 108.1 | S2 R6 | S2-T4 PolarHBondContact O-N 3.46Å; T4-R6 PolarHBondContact O-N 3.42Å | ||
| 5 | N | 31 | Very low | 35.5 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -76.4 | 107.2 | 172.4 | -149.9 | 9.1 | 0 | 0 | 0 | 108.3 | ||||
| 6 | R | 34.7 | Very low | 35.6 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -100.6 | 112.7 | 178.5 | -106.7 | -170 | -79.2 | 175.4 | -5.1 | 109.7 | T4 | T4-R6 PolarHBondContact O-N 3.42Š| ||
| 7 | Y | 29.3 | Very low | 36 | Very low | 238 Ų | 238 | 137.8 Ų | 137.8 | 93% | 0.933 | 73% | 0.731 | S | S | * | * | trans | -53.6 | 130 | 165.7 | -116.7 | -107.9 | 0 | 0 | 0 | 110.1 | ||||
| 8 | V | 33.1 | Very low | 36.2 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 56% | 0.564 | 74% | 0.736 | S | S | * | * | trans | -112.3 | 126.3 | 171 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 9 | S | 32.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -59 | 132.6 | -178.8 | 45.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 10 | N | 34.5 | Very low | 36.1 | Very low | 89 Ų | 89 | 141.1 Ų | 141.1 | 48% | 0.476 | 74% | 0.738 | S | S | . | * | trans | -65.1 | 129 | 170.5 | -87.9 | 0.5 | 0 | 0 | 0 | 111.5 | Y12 T119 | N10-Y12 HydrophobicContact CB-CD2 3.96Å; N10-Y12 HydrophobicContact CB-CE2 3.91Å; N10-Y12 PolarHBondContact O-N 2.95Å; N10-Y12 VanDerWaalsContact O-N 3.11Å; N10-T119 PolarHBondContact ND2-O 2.9Å | ||
| 11 | A | 33.9 | Very low | 36.1 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | trans | -71.2 | 97.5 | 160 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 12 | Y | 36.3 | Very low | 35.9 | Very low | 184 Ų | 184 | 141 Ų | 141 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | trans | -79.9 | 107.3 | 160.9 | -83.2 | -96 | 0 | 0 | 0 | 107.4 | N10 N14 | N10-Y12 HydrophobicContact CB-CD2 3.96Å; N10-Y12 HydrophobicContact CB-CE2 3.91Å; N10-Y12 PolarHBondContact O-N 2.95Å; N10-Y12 VanDerWaalsContact O-N 3.11Å; Y12-N14 PolarHBondContact O-N 3.17Å | ||
| 13 | E | 39.6 | Very low | 35.8 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -68.1 | 117.1 | 154.8 | -76.8 | -176.7 | 133.5 | 0 | 0 | 106.9 | C15 | E13-C15 PolarHBondContact O-N 2.83Š| ||
| 14 | N | 33.8 | Very low | 35.8 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -64.3 | 96.2 | -173 | -159.3 | 7 | 0 | 0 | 0 | 109.5 | Y12 D16 | Y12-N14 PolarHBondContact O-N 3.17Å; N14-D16 PolarHBondContact O-N 2.6Å | ||
| 15 | C | 41.3 | Very low | 35.8 | Very low | 39 Ų | 39 | 143.2 Ų | 143.2 | 26% | 0.264 | 73% | 0.729 | S | S | . | * | trans | -75.7 | 108.9 | 166.8 | -55.3 | 0 | 0 | 0 | 0 | 107.6 | E13 D17 C123 | E13-C15 PolarHBondContact O-N 2.83Å; C15-D17 VanDerWaalsContact C-N 3.33Å; C15-D17 PolarHBondContact O-N 2.89Å; C15-C123 HydrophobicContact CB-CB 4.15Å; C15-C123 WeakPolarHBondContact CB-SG 3.44Å; C15-C123 WeakPolarHBondContact SG-CB 3.42Å; C15-C123 CovalentContact SG-SG 2Å; C15-C123 PolarHBondContact SG-SG 2.85Å | ||
| 16 | D | 37.6 | Very low | 36.2 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | trans | -60.7 | 86.4 | -173.8 | -129.6 | -42.9 | 0 | 0 | 0 | 111.5 | N14 R18 | N14-D16 PolarHBondContact O-N 2.6Å; D16-R18 PolarHBondContact O-N 3.25Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 17 | D | 42.1 | Very low | 36.5 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 56% | 0.556 | 73% | 0.732 | S | S | * | * | trans | -75.2 | 38.6 | 168 | -85.8 | -37.4 | 0 | 0 | 0 | 111.2 | C15 L19 R97 | C15-D17 VanDerWaalsContact C-N 3.33Å; C15-D17 PolarHBondContact O-N 2.89Å; D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 2.75Å; D17-R97 IonicContact OD1-NH2 3.61Å; D17-R97 IonicContact OD2-CZ 3.9Å; D17-R97 IonicContact OD2-NH2 2.73Å; D17-R97 PolarHBondContact OD2-NH2 3.17Å | ||
| 18 | R | 39.4 | Very low | 36.8 | Very low | 217 Ų | 217 | 147.8 Ų | 147.8 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 3.5 | 179.7 | -96.5 | -171.7 | 150.2 | 178.7 | -3.6 | 114.8 | D16 | D16-R18 PolarHBondContact O-N 3.25Å; D16-R18 WeakPolarHBondContact OD1-CB 3.46Å; D16-R18 WeakPolarHBondContact OD1-CG 3.48Å |
| 19 | L | 35 | Very low | 37.7 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 38.4 | -175.8 | -66.2 | 173.8 | 0 | 0 | 0 | 114.2 | D17 | D17-L19 VanDerWaalsContact C-N 3.26Å; D17-L19 PolarHBondContact O-N 2.75Å |
| 20 | S | 35.5 | Very low | 38 | Very low | 86 Ų | 86 | 149.3 Ų | 149.3 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -154.5 | 30.8 | 170.5 | 70.7 | 0 | 0 | 0 | 0 | 116.4 | ||
| 21 | L | 35.6 | Very low | 38.8 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -138.5 | 60.9 | 172.2 | -86 | 161.2 | 0 | 0 | 0 | 111.5 | ||||
| 22 | R | 34.5 | Very low | 39.6 | Very low | 245 Ų | 245 | 156.4 Ų | 156.4 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -94.1 | 115.1 | 146.1 | -83.1 | -171.9 | 177.4 | -138.8 | 1.1 | 106.9 | ||
| 23 | S | 37.5 | Very low | 39.8 | Very low | 118 Ų | 118 | 157.2 Ų | 157.2 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 84.1 | 131.2 | -178.8 | 91.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 24 | G | 36 | Very low | 39.9 | Very low | 65 Ų | 65 | 154.8 Ų | 154.8 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | trans | 129 | 63.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R26 | G24-R26 PolarHBondContact O-N 3.2Š| ||
| 25 | K | 38 | Very low | 40.9 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 90% | 0.9 | 76% | 0.761 | S | S | * | * | trans | -48.7 | 118.8 | 159.5 | -81.6 | 170.2 | 170 | 177.7 | 0 | 110 | ||||
| 26 | R | 40.6 | Very low | 41.2 | Very low | 254 Ų | 254 | 157.5 Ų | 157.5 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -148.2 | 137.5 | 140.2 | -69.8 | -158.6 | -159.4 | 179.3 | 9.8 | 110.8 | G24 | G24-R26 PolarHBondContact O-N 3.2Š| ||
| 27 | R | 39.7 | Very low | 41.6 | Very low | 206 Ų | 206 | 161.8 Ų | 161.8 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -104.1 | 126.7 | -169.7 | 164.2 | -175.7 | 131 | -161.9 | -1.9 | 108 | ||||
| 28 | W | 37.3 | Very low | 41.7 | Very low | 246 Ų | 246 | 165.6 Ų | 165.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -179.8 | 127.4 | 153 | -86.7 | -20.2 | 0 | 0 | 0 | 106.2 | ||||
| 29 | S | 50.2 | Low | 41.9 | Very low | 107 Ų | 107 | 162.9 Ų | 162.9 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | cis | -143.3 | 139.7 | 5.8 | -66.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 30 | D | 39.8 | Very low | 42.2 | Very low | 127 Ų | 127 | 162.9 Ų | 162.9 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -56 | 142 | 167.9 | -54.2 | -63.9 | 0 | 0 | 0 | 110.3 | ||||
| 31 | N | 51.6 | Low | 42.7 | Very low | 153 Ų | 153 | 166 Ų | 166 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 152.3 | 21.3 | 153.6 | -72.6 | -18.7 | 0 | 0 | 0 | 114.9 | ||||
| 32 | L | 49.7 | Very low | 43.4 | Very low | 179 Ų | 179 | 166 Ų | 166 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | trans | -118.3 | 49.7 | 175.5 | -66.4 | 178.4 | 0 | 0 | 0 | 113.5 | ||||
| 33 | W | 41.1 | Very low | 43.7 | Very low | 202 Ų | 202 | 161.7 Ų | 161.7 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -158.5 | 87.6 | 163.2 | 177.1 | -82.1 | 0 | 0 | 0 | 107.8 | ||||
| 34 | P | 41.8 | Very low | 44.1 | Very low | 105 Ų | 105 | 167.3 Ų | 167.3 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | S | Bend | -142 | 165.8 | 102.6 | 27.9 | -8.1 | 0 | 0 | 0 | 112.4 | |||
| 35 | I | 54.1 | Low | 44.6 | Very low | 158 Ų | 158 | 168.4 Ų | 168.4 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | 104 | 7.4 | 172.1 | -44.6 | 156.5 | 0 | 0 | 0 | 116.2 | R37 | I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.12Å | ||
| 36 | A | 47.9 | Very low | 45.1 | Very low | 88 Ų | 88 | 163.1 Ų | 163.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -91.8 | 44.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 37 | R | 46.8 | Very low | 45.6 | Very low | 213 Ų | 213 | 160.2 Ų | 160.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -153.7 | 81 | 168.3 | -83.4 | -166.8 | 179.7 | 153.3 | -0.3 | 109.8 | I35 | I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.12Å | ||
| 38 | Q | 43 | Very low | 46 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -164.3 | 55 | 157.2 | -117.3 | 178.7 | -38.9 | 0 | 0 | 109.1 | ||||
| 39 | I | 45.2 | Very low | 46.1 | Very low | 160 Ų | 160 | 150 Ų | 150 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | trans | -112.9 | 134.5 | 155.5 | -62.3 | 172.9 | 0 | 0 | 0 | 102.4 | ||||
| 40 | E | 40.1 | Very low | 46.2 | Very low | 174 Ų | 174 | 150 Ų | 150 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 95.1 | 83.7 | -162.8 | -55.8 | 163.5 | -161.5 | 0 | 0 | 110.9 | ||||
| 41 | D | 45.4 | Very low | 46.6 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -173.8 | 121.9 | 131.8 | -96 | -26.7 | 0 | 0 | 0 | 114 | ||||
| 42 | I | 52 | Low | 46.7 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 91.6 | 87.6 | 141.1 | -54.7 | 159.9 | 0 | 0 | 0 | 118 | R44 | I42-R44 PolarHBondContact O-N 2.96Š| ||
| 43 | D | 38.9 | Very low | 46.7 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -37.6 | 115.9 | 136.3 | -75.1 | -53.9 | 0 | 0 | 0 | 112 | ||||
| 44 | R | 46.2 | Very low | 47 | Very low | 236 Ų | 236 | 143.2 Ų | 143.2 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | 172.6 | 139.3 | 134.6 | -102.8 | 174.3 | 165 | 98.9 | -3 | 113.2 | I42 | I42-R44 PolarHBondContact O-N 2.96Š| ||
| 45 | A | 48.1 | Very low | 47.3 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 79.8 | 101.5 | 157 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 46 | S | 47 | Very low | 46.7 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | 104.1 | 131.4 | 62.6 | -75.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 47 | F | 52.3 | Low | 46.8 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 76.3 | 89 | 165.2 | -50.9 | -69.7 | 0 | 0 | 0 | 117.8 | ||||
| 48 | S | 47.2 | Very low | 46.4 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | 157.8 | 124.2 | 109.5 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 49 | S | 40.6 | Very low | 46.3 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -87.1 | 144.7 | 173.5 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | P | 50.6 | Low | 45.8 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | -134.4 | 117 | 121.9 | 20.7 | -1.3 | 0 | 0 | 0 | 110.7 | |||||
| 51 | T | 49.5 | Very low | 46 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | 68.2 | 119.5 | 101.1 | 59.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 52 | S | 53.8 | Low | 46.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | 62.9 | 93.5 | 157.4 | -143.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 53 | A | 49.2 | Very low | 46.8 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | 62.9 | 88.3 | 89.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 54 | E | 47.9 | Very low | 48.7 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | trans | -158.3 | 125.5 | 136.2 | -113.8 | -167.8 | 112.4 | 0 | 0 | 109.4 | R56 | E54-R56 PolarHBondContact O-N 2.69Š| ||
| 55 | P | 47 | Very low | 50.7 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 81% | 0.812 | 71% | 0.705 | S | S | * | * | trans | -73.8 | 98 | 171.5 | 30.2 | -29.4 | 0 | 0 | 0 | 107.7 | A57 | P55-A57 PolarHBondContact O-N 3.46Š| ||
| 56 | R | 41.8 | Very low | 52.7 | Low | 236 Ų | 236 | 114.8 Ų | 114.8 | 89% | 0.891 | 69% | 0.694 | S | S | * | * | trans | -63.2 | 106.3 | 174.3 | -154.2 | 172 | -178.4 | 167 | 1 | 107.7 | E54 T58 | E54-R56 PolarHBondContact O-N 2.69Å; R56-T58 PolarHBondContact O-N 3.01Å; R56-T58 VanDerWaalsContact O-N 3.14Å | ||
| 57 | A | 49.5 | Very low | 54.9 | Low | 78 Ų | 78 | 112.3 Ų | 112.3 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | trans | -45 | 121.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P55 H59 | P55-A57 PolarHBondContact O-N 3.46Å; A57-H59 PolarHBondContact O-N 3.26Å; A57-H59 VanDerWaalsContact O-N 3.1Å | ||
| 58 | T | 39.9 | Very low | 56.9 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 80% | 0.798 | 66% | 0.655 | S | S | * | * | trans | -58 | 113.3 | 172.7 | 37.9 | 0 | 0 | 0 | 0 | 107.7 | R56 S60 | R56-T58 PolarHBondContact O-N 3.01Å; R56-T58 VanDerWaalsContact O-N 3.14Å; T58-S60 PolarHBondContact O-N 2.86Å | ||
| 59 | H | 40.7 | Very low | 59.1 | Low | 181 Ų | 181 | 103.1 Ų | 103.1 | 84% | 0.838 | 63% | 0.629 | S | S | * | * | trans | -67.5 | 75.5 | 165.2 | -77.2 | -98.6 | 0 | 0 | 0 | 108.4 | A57 A61 | A57-H59 PolarHBondContact O-N 3.26Å; A57-H59 VanDerWaalsContact O-N 3.1Å; H59-A61 VanDerWaalsContact C-N 3.29Å; H59-A61 PolarHBondContact O-N 2.9Å | ||
| 60 | S | 34.6 | Very low | 61.6 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | -80.6 | 76.4 | 168 | -168.6 | 0 | 0 | 0 | 0 | 107.4 | T58 | T58-S60 PolarHBondContact O-N 2.86Š| ||
| 61 | A | 44.2 | Very low | 63.4 | Low | 82 Ų | 82 | 100.7 Ų | 100.7 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | trans | -152.9 | 14.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | H59 | H59-A61 VanDerWaalsContact C-N 3.29Å; H59-A61 PolarHBondContact O-N 2.9Å | ||
| 62 | S | 53.7 | Low | 65.2 | Low | 88 Ų | 88 | 101.5 Ų | 101.5 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | trans | -89.7 | 2 | -178 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | G64 | S62-G64 PolarHBondContact O-N 3.49Å; S62-G64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | S | 61.2 | Low | 66.8 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | trans | -81.1 | 94.3 | 167.8 | -165.6 | 0 | 0 | 0 | 0 | 106.4 | V65 | S63-V65 PolarHBondContact O-N 2.75Å; S63-V65 WeakPolarHBondContact OG-CG2 3.36Å | ||
| 64 | G | 78.7 | Confident | 68.8 | Low | 17 Ų | 17 | 103.7 Ų | 103.7 | 18% | 0.175 | 58% | 0.578 | C | S | . | * | trans | -59 | 25.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S62 L79 D80 R120 | S62-G64 PolarHBondContact O-N 3.49Å; S62-G64 VanDerWaalsContact O-N 3.14Å; G64-L79 CarbonylContact O-C 3.57Å; G64-L79 WeakPolarHBondContact O-CA 3.28Å; G64-D80 PolarHBondContact O-N 3.2Å; G64-R120 PolarHBondContact O-NH1 2.82Å | ||
| 65 | V | 87 | Confident | 71 | Confident | 44 Ų | 44 | 95.2 Ų | 95.2 | 27% | 0.267 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.6 | 166.1 | -175.3 | 0 | 0 | 0 | 0 | 106.3 | S63 V68 L79 R120 Y122 | S63-V65 PolarHBondContact O-N 2.75Å; S63-V65 WeakPolarHBondContact OG-CG2 3.36Å; V65-V68 HydrophobicContact CG1-CG2 4Å; V65-L79 HydrophobicContact CB-CD2 4.14Å; V65-L79 HydrophobicContact CG1-CD2 4.07Å; V65-L79 HydrophobicContact CG2-CD2 3.92Å; V65-R120 VanDerWaalsContact N-NH1 3.2Å; V65-Y122 VanDerWaalsContact CG2-OH 3.29Å; V65-Y122 WeakPolarHBondContact CG2-OH 3.43Å |
| 66 | L | 90.9 | Very high | 73.2 | Confident | 95 Ų | 95 | 90.5 Ų | 90.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -40.7 | 177.3 | -62.8 | -176.8 | 0 | 0 | 0 | 111.5 | T78 D80 L142 | L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 HydrophobicContact CD1-CG2 4.34Å; L66-T78 PolarHBondContact N-O 3.45Å; L66-D80 HydrophobicContact CD1-CB 4.26Å; L66-D80 HydrophobicContact CD2-CB 4.31Å; L66-D80 HydrophobicContact CG-CB 4.2Å; L66-L142 HydrophobicContact CD1-CD1 3.86Å; L66-L142 HydrophobicContact CD1-CD2 3.35Å; L66-L142 HydrophobicContact CD1-CG 4.13Å |
| 67 | S | 92.8 | Very high | 75.8 | Confident | 43 Ų | 43 | 79.3 Ų | 79.3 | 30% | 0.301 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 152.7 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | T78 | S67-T78 PolarHBondContact N-O 2.66Å; S67-T78 PolarHBondContact O-N 2.83Å; S67-T78 VanDerWaalsContact OG-CB 3.28Å; S67-T78 WeakPolarHBondContact OG-CB 3.24Å; S67-T78 PolarHBondContact OG-OG1 2.96Å |
| 68 | V | 94.6 | Very high | 78 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 124.3 | 167.4 | -178 | 0 | 0 | 0 | 0 | 107.2 | V65 F75 Q76 V77 Y122 | V65-V68 HydrophobicContact CG1-CG2 4Å; V68-F75 HydrophobicContact CG1-CE2 4.29Å; V68-Q76 CarbonylContact C-O 3.48Å; V68-Q76 WeakPolarHBondContact CA-O 3.38Å; V68-V77 HydrophobicContact CG1-CG2 4.35Å; V68-V77 HydrophobicContact CG2-CG2 4.45Å; V68-Y122 HydrophobicContact CG2-CD1 4.32Å; V68-Y122 HydrophobicContact CG2-CE1 3.72Å |
| 69 | I | 93.6 | Very high | 80.7 | Confident | 51 Ų | 51 | 70 Ų | 70 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.3 | -179.8 | -58.4 | 171.7 | 0 | 0 | 0 | 107.6 | D71 F75 Q76 | I69-D71 VanDerWaalsContact CG2-OD2 3.24Å; I69-D71 WeakPolarHBondContact CG2-OD2 3.29Å; I69-F75 CarbonylContact O-C 3.53Å; I69-F75 WeakPolarHBondContact O-CA 2.98Å; I69-Q76 HydrophobicContact CB-CB 4.23Å; I69-Q76 PolarHBondContact N-O 2.84Å; I69-Q76 PolarHBondContact O-N 2.78Å |
| 70 | N | 92.4 | Very high | 83.3 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 64.8 | -177 | -173.5 | 19.2 | 0 | 0 | 0 | 110.9 | F75 P125 K149 | N70-F75 HydrophobicContact CB-CD2 4.21Å; N70-P125 WeakPolarHBondContact OD1-CG 3.33Å; N70-K149 WeakPolarHBondContact OD1-CE 3.38Å; N70-K149 PolarHBondContact OD1-NZ 2.92Å |
| 71 | D | 88.7 | Confident | 86.2 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | trans | -90.4 | 167.7 | -178.3 | -56.9 | -32.4 | 0 | 0 | 0 | 111.2 | I69 K73 K74 K149 | I69-D71 VanDerWaalsContact CG2-OD2 3.24Å; I69-D71 WeakPolarHBondContact CG2-OD2 3.29Å; D71-K73 PolarHBondContact O-N 3.06Å; D71-K74 PolarHBondContact N-O 2.66Å; D71-K74 PolarHBondContact O-N 2.81Å; D71-K149 WeakPolarHBondContact O-CD 3.17Å; D71-K149 WeakPolarHBondContact O-CE 3.5Å; D71-K149 PolarHBondContact O-NZ 3.08Å | ||
| 72 | D | 86.5 | Confident | 88.6 | Confident | 147 Ų | 147 | 58.3 Ų | 58.3 | 79% | 0.786 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -57 | -21.3 | 179.5 | -65.2 | -33.5 | 0 | 0 | 0 | 114.6 | ||
| 73 | K | 87.6 | Confident | 90.4 | Very high | 178 Ų | 178 | 59.9 Ų | 59.9 | 77% | 0.774 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -95.7 | -33.5 | -177 | -61 | -179.9 | -177.5 | 177.6 | 0 | 113.5 | D71 K149 | D71-K73 PolarHBondContact O-N 3.06Å; K73-K149 PolarHBondContact O-N 2.51Å |
| 74 | K | 90.7 | Very high | 92 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 32% | 0.317 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158 | -170.7 | 68.1 | 169.9 | -178 | 168.3 | 0 | 113 | D71 A147 | D71-K74 PolarHBondContact N-O 2.66Å; D71-K74 PolarHBondContact O-N 2.81Å; K74-A147 CarbonylContact C-O 3.57Å; K74-A147 VanDerWaalsContact CA-O 3.29Å; K74-A147 WeakPolarHBondContact CA-O 3.44Å; K74-A147 WeakPolarHBondContact CB-O 3.36Å |
| 75 | F | 94.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.6 | 166 | 174.7 | -100.6 | 0 | 0 | 0 | 108.3 | V68 I69 N70 V77 L98 L124 P125 I128 F133 E146 A147 | V68-F75 HydrophobicContact CG1-CE2 4.29Å; I69-F75 CarbonylContact O-C 3.53Å; I69-F75 WeakPolarHBondContact O-CA 2.98Å; N70-F75 HydrophobicContact CB-CD2 4.21Å; F75-V77 HydrophobicContact CE1-CG2 3.81Å; F75-V77 HydrophobicContact CE2-CG2 4.49Å; F75-V77 HydrophobicContact CZ-CG2 3.66Å; F75-L98 HydrophobicContact CE1-CD2 4Å; F75-L124 HydrophobicContact CD1-CD2 4.1Å; F75-L124 HydrophobicContact CE1-CD2 3.69Å; F75-L124 HydrophobicContact CZ-CD2 4.19Å; F75-P125 HydrophobicContact CB-CG 4.22Å; F75-P125 HydrophobicContact CD2-CG 4.1Å; F75-P125 HydrophobicContact CG-CG 4.32Å; F75-I128 HydrophobicContact CB-CD1 3.34Å; F75-I128 HydrophobicContact CD1-CD1 4.12Å; F75-I128 HydrophobicContact CG-CD1 3.84Å; F75-F133 HydrophobicContact CD1-CE1 4.04Å; F75-F133 HydrophobicContact CD1-CZ 4.33Å; F75-F133 HydrophobicContact CE1-CE1 4.36Å; F75-E146 CarbonylContact O-C 3.53Å; F75-E146 VanDerWaalsContact O-CA 3.27Å; F75-E146 WeakPolarHBondContact O-CA 3.44Å; F75-A147 PolarHBondContact N-O 3.22Å; F75-A147 PolarHBondContact O-N 3.12Å |
| 76 | Q | 95.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 64.3 Ų | 64.3 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 137.9 | -178.7 | 178 | -173.9 | -26.8 | 0 | 0 | 110.7 | V68 I69 T78 T144 I145 E146 | V68-Q76 CarbonylContact C-O 3.48Å; V68-Q76 WeakPolarHBondContact CA-O 3.38Å; I69-Q76 HydrophobicContact CB-CB 4.23Å; I69-Q76 PolarHBondContact N-O 2.84Å; I69-Q76 PolarHBondContact O-N 2.78Å; Q76-T78 PolarHBondContact NE2-OG1 2.84Å; Q76-T144 HydrophobicContact CG-CG2 3.86Å; Q76-I145 CarbonylContact C-O 3.59Å; Q76-I145 WeakPolarHBondContact CA-O 3.47Å; Q76-E146 HydrophobicContact CB-CB 4.1Å; Q76-E146 HydrophobicContact CG-CB 4.11Å |
| 77 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.8 | 173.6 | 177 | 0 | 0 | 0 | 0 | 108.2 | V68 F75 L79 L98 I100 Y122 T144 I145 | V68-V77 HydrophobicContact CG1-CG2 4.35Å; V68-V77 HydrophobicContact CG2-CG2 4.45Å; F75-V77 HydrophobicContact CE1-CG2 3.81Å; F75-V77 HydrophobicContact CE2-CG2 4.49Å; F75-V77 HydrophobicContact CZ-CG2 3.66Å; V77-L79 HydrophobicContact CG1-CD2 3.59Å; V77-L79 HydrophobicContact CG1-CG 3.98Å; V77-L98 HydrophobicContact CG2-CD2 4.25Å; V77-I100 HydrophobicContact CG1-CD1 4.36Å; V77-Y122 HydrophobicContact CG1-CD2 4.28Å; V77-Y122 HydrophobicContact CG1-CE1 4.31Å; V77-Y122 HydrophobicContact CG1-CE2 3.68Å; V77-Y122 HydrophobicContact CG2-CD1 4.25Å; V77-Y122 HydrophobicContact CG2-CD2 4.14Å; V77-Y122 HydrophobicContact CG2-CE1 4.43Å; V77-Y122 HydrophobicContact CG2-CE2 4.33Å; V77-Y122 HydrophobicContact CG2-CG 4.1Å; V77-T144 CarbonylContact O-C 3.46Å; V77-T144 WeakPolarHBondContact O-CA 3.41Å; V77-I145 PolarHBondContact N-O 3.3Å; V77-I145 PolarHBondContact O-N 3.29Å |
| 78 | T | 95.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.2 | 175.1 | -44.5 | 0 | 0 | 0 | 0 | 109.5 | L66 S67 Q76 L143 | L66-T78 HydrophobicContact CB-CG2 4.29Å; L66-T78 HydrophobicContact CD1-CG2 4.34Å; L66-T78 PolarHBondContact N-O 3.45Å; S67-T78 PolarHBondContact N-O 2.66Å; S67-T78 PolarHBondContact O-N 2.83Å; S67-T78 VanDerWaalsContact OG-CB 3.28Å; S67-T78 WeakPolarHBondContact OG-CB 3.24Å; S67-T78 PolarHBondContact OG-OG1 2.96Å; Q76-T78 PolarHBondContact NE2-OG1 2.84Å; T78-L143 CarbonylContact C-O 3.52Å; T78-L143 WeakPolarHBondContact CA-O 3.21Å |
| 79 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142 | -179.2 | -52.8 | -170 | 0 | 0 | 0 | 111.2 | G64 V65 V77 V81 I100 F118 Y122 L142 L143 | G64-L79 CarbonylContact O-C 3.57Å; G64-L79 WeakPolarHBondContact O-CA 3.28Å; V65-L79 HydrophobicContact CB-CD2 4.14Å; V65-L79 HydrophobicContact CG1-CD2 4.07Å; V65-L79 HydrophobicContact CG2-CD2 3.92Å; V77-L79 HydrophobicContact CG1-CD2 3.59Å; V77-L79 HydrophobicContact CG1-CG 3.98Å; L79-V81 HydrophobicContact CB-CG1 4.09Å; L79-I100 HydrophobicContact CD1-CB 4.45Å; L79-I100 HydrophobicContact CD1-CD1 3.56Å; L79-I100 HydrophobicContact CD1-CG2 4.12Å; L79-I100 HydrophobicContact CG-CD1 4.35Å; L79-F118 HydrophobicContact CD1-CE2 4.37Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.32Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.49Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.93Å; L79-L143 PolarHBondContact O-N 3.21Å |
| 80 | D | 95.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 68.1 Ų | 68.1 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.1 | 161.7 | -176.2 | -2.1 | 0 | 0 | 0 | 109.1 | G64 L66 A82 L142 | G64-D80 PolarHBondContact O-N 3.2Å; L66-D80 HydrophobicContact CD1-CB 4.26Å; L66-D80 HydrophobicContact CD2-CB 4.31Å; L66-D80 HydrophobicContact CG-CB 4.2Å; D80-A82 WeakPolarHBondContact OD1-CB 3.08Å; D80-A82 PolarHBondContact OD1-N 2.85Å; D80-L142 HydrophobicContact CB-CD2 4.07Å |
| 81 | V | 95.5 | Very high | 94 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | trans | -129.9 | 26.9 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | L79 H83 F84 L89 F118 L137 G141 L143 | L79-V81 HydrophobicContact CB-CG1 4.09Å; V81-H83 PolarHBondContact O-N 2.84Å; V81-F84 HydrophobicContact CB-CD2 4.3Å; V81-F84 PolarHBondContact O-N 3.1Å; V81-L89 HydrophobicContact CB-CD1 4.24Å; V81-L89 HydrophobicContact CB-CD2 4.36Å; V81-L89 HydrophobicContact CG1-CD2 4.27Å; V81-L89 HydrophobicContact CG2-CD1 3.84Å; V81-F118 HydrophobicContact CG1-CE1 4.13Å; V81-F118 HydrophobicContact CG1-CZ 3.89Å; V81-L137 HydrophobicContact CG2-CD1 3.65Å; V81-G141 CarbonylContact C-O 3.53Å; V81-G141 VanDerWaalsContact CG2-O 3.23Å; V81-G141 WeakPolarHBondContact CG2-O 3.31Å; V81-G141 PolarHBondContact N-O 2.92Å; V81-L143 HydrophobicContact CG1-CB 4.36Å; V81-L143 HydrophobicContact CG2-CB 3.67Å | ||
| 82 | A | 94.1 | Very high | 94.3 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -17.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D80 G141 | D80-A82 WeakPolarHBondContact OD1-CB 3.08Å; D80-A82 PolarHBondContact OD1-N 2.85Å; A82-G141 PolarHBondContact N-O 2.83Å |
| 83 | H | 92 | Very high | 94.6 | Very high | 121 Ų | 121 | 61.1 Ų | 61.1 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 6.6 | 176.3 | -59 | -48.8 | 0 | 0 | 0 | 114.5 | V81 | V81-H83 PolarHBondContact O-N 2.84Š|
| 84 | F | 94 | Very high | 94.8 | Very high | 32 Ų | 32 | 59 Ų | 59 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -121.1 | 144.1 | 179.3 | -66.4 | -92 | 0 | 0 | 0 | 110.3 | V81 E88 L89 H104 R116 F118 | V81-F84 HydrophobicContact CB-CD2 4.3Å; V81-F84 PolarHBondContact O-N 3.1Å; F84-E88 WeakPolarHBondContact CA-OE2 3.39Å; F84-E88 HydrophobicContact CD1-CB 4.37Å; F84-L89 HydrophobicContact CB-CD1 4.4Å; F84-L89 HydrophobicContact CB-CD2 3.83Å; F84-L89 HydrophobicContact CB-CG 4.09Å; F84-L89 HydrophobicContact CD1-CD2 4.41Å; F84-L89 HydrophobicContact CG-CD2 4.07Å; F84-H104 HydrophobicContact CD1-CB 3.96Å; F84-H104 HydrophobicContact CE1-CB 3.83Å; F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; F84-F118 HydrophobicContact CD1-CE1 4.44Å; F84-F118 HydrophobicContact CD2-CD1 4.33Å; F84-F118 AromaticContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CE1-CD1 4.04Å; F84-F118 HydrophobicContact CE1-CE1 4.21Å; F84-F118 AromaticContact CE2-CD1 3.62Å; F84-F118 HydrophobicContact CE2-CD1 3.62Å; F84-F118 AromaticContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CG-CE1 4.31Å; F84-F118 AromaticContact CZ-CD1 3.46Å; F84-F118 HydrophobicContact CZ-CD1 3.46Å; F84-F118 VanDerWaalsContact CZ-CD1 3.46Å; F84-F118 AromaticContact CZ-CE1 3.85Å; F84-F118 HydrophobicContact CZ-CE1 3.85Å |
| 85 | K | 93.7 | Very high | 94.7 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 48% | 0.478 | 32% | 0.317 | S | S | . | . | trans | -79.2 | 157.6 | 168.6 | -61 | 176 | -175.4 | 162.2 | 0 | 110.4 | E87 E88 | K85-E87 VanDerWaalsContact CB-OE2 3.32Å; K85-E87 WeakPolarHBondContact CB-OE2 3.42Å; K85-E87 PolarHBondContact O-N 3.14Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 3.02Å; K85-E88 WeakPolarHBondContact O-CB 3.24Å; K85-E88 PolarHBondContact O-N 3.03Å | ||
| 86 | P | 95.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 67.6 Ų | 67.6 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -56.6 | -35.4 | 176.5 | -21.3 | 31.3 | 0 | 0 | 0 | 113.1 | E88 L89 L137 | P86-E88 PolarHBondContact O-N 2.73Å; P86-L89 PolarHBondContact O-N 2.94Å; P86-L137 HydrophobicContact CB-CD2 4.03Å; P86-L137 HydrophobicContact CG-CD2 3.79Å |
| 87 | E | 96.3 | Very high | 94.4 | Very high | 158 Ų | 158 | 69.4 Ų | 69.4 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -75.2 | -13.7 | -178.8 | -48.1 | 78.1 | -152.4 | 0 | 0 | 113.2 | K85 L89 | K85-E87 VanDerWaalsContact CB-OE2 3.32Å; K85-E87 WeakPolarHBondContact CB-OE2 3.42Å; K85-E87 PolarHBondContact O-N 3.14Å; E87-L89 VanDerWaalsContact C-N 3.34Å |
| 88 | E | 95.7 | Very high | 94.3 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -90.2 | -2.5 | 179 | -66.8 | 171.6 | 173.2 | 0 | 0 | 112.1 | F84 K85 P86 G102 M103 H104 | F84-E88 WeakPolarHBondContact CA-OE2 3.39Å; F84-E88 HydrophobicContact CD1-CB 4.37Å; K85-E88 HydrophobicContact CB-CG 4.04Å; K85-E88 PolarHBondContact N-OE2 3.02Å; K85-E88 WeakPolarHBondContact O-CB 3.24Å; K85-E88 PolarHBondContact O-N 3.03Å; P86-E88 PolarHBondContact O-N 2.73Å; E88-G102 CarbonylContact O-C 3.52Å; E88-G102 VanDerWaalsContact O-CA 3.31Å; E88-G102 WeakPolarHBondContact O-CA 3.43Å; E88-M103 VanDerWaalsContact CB-O 3.31Å; E88-M103 WeakPolarHBondContact CB-O 3.2Å; E88-M103 WeakPolarHBondContact CG-O 3.33Å; E88-M103 PolarHBondContact O-N 3.17Å; E88-H104 IonicContact OE1-CE1 3.59Å; E88-H104 IonicContact OE1-CG 3.9Å; E88-H104 IonicContact OE1-ND1 2.92Å; E88-H104 PolarHBondContact OE1-ND1 2.94Å; E88-H104 IonicContact OE2-CG 3.7Å; E88-H104 IonicContact OE2-ND1 2.92Å; E88-H104 PolarHBondContact OE2-ND1 2.81Å |
| 89 | L | 97 | Very high | 94.2 | Very high | 31 Ų | 31 | 72 Ų | 72 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.3 | -175.5 | -62.9 | 171.1 | 0 | 0 | 0 | 111 | V81 F84 P86 E87 H101 F118 L137 | V81-L89 HydrophobicContact CB-CD1 4.24Å; V81-L89 HydrophobicContact CB-CD2 4.36Å; V81-L89 HydrophobicContact CG1-CD2 4.27Å; V81-L89 HydrophobicContact CG2-CD1 3.84Å; F84-L89 HydrophobicContact CB-CD1 4.4Å; F84-L89 HydrophobicContact CB-CD2 3.83Å; F84-L89 HydrophobicContact CB-CG 4.09Å; F84-L89 HydrophobicContact CD1-CD2 4.41Å; F84-L89 HydrophobicContact CG-CD2 4.07Å; P86-L89 PolarHBondContact O-N 2.94Å; E87-L89 VanDerWaalsContact C-N 3.34Å; L89-H101 WeakPolarHBondContact CA-O 3.41Å; L89-F118 HydrophobicContact CD2-CE1 3.89Å; L89-F118 HydrophobicContact CD2-CZ 3.9Å; L89-L137 HydrophobicContact CD1-CD2 4.38Å |
| 90 | E | 97 | Very high | 94.2 | Very high | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.2 | 176.5 | -172.3 | -177.7 | 176.4 | 0 | 0 | 110.3 | T92 I100 H101 | E90-T92 HydrophobicContact CG-CG2 4.1Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.27Å; E90-I100 WeakPolarHBondContact O-CA 3.33Å; E90-H101 HydrophobicContact CB-CB 4.38Å; E90-H101 PolarHBondContact N-O 2.84Å; E90-H101 PolarHBondContact O-N 3Å |
| 91 | I | 96.3 | Very high | 94.2 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.2 | 178 | -57.1 | 164.3 | 0 | 0 | 0 | 107.9 | L98 M99 I100 L143 I145 | I91-L98 HydrophobicContact CG2-CD1 3.54Å; I91-M99 WeakPolarHBondContact CA-O 3.22Å; I91-I100 HydrophobicContact CG1-CG2 4.43Å; I91-L143 HydrophobicContact CD1-CD1 4.23Å; I91-L143 HydrophobicContact CD1-CD2 4.25Å; I91-I145 HydrophobicContact CD1-CD1 3.59Å; I91-I145 HydrophobicContact CD1-CG1 3.84Å; I91-I145 HydrophobicContact CG1-CD1 3.91Å; I91-I145 HydrophobicContact CG2-CD1 4.04Å |
| 92 | T | 95.3 | Very high | 94.3 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.3 | 179.4 | 55.5 | 0 | 0 | 0 | 0 | 111 | E90 M99 | E90-T92 HydrophobicContact CG-CG2 4.1Å; E90-T92 WeakPolarHBondContact OE1-CG2 3.27Å; T92-M99 PolarHBondContact N-O 3.3Å; T92-M99 PolarHBondContact O-N 2.83Å; T92-M99 WeakPolarHBondContact OG1-CB 3.35Å |
| 93 | T | 93.3 | Very high | 94.4 | Very high | 57 Ų | 57 | 72.1 Ų | 72.1 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.8 | 172.4 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | R97 L98 L124 F133 | T93-R97 CarbonylContact C-O 3.55Å; T93-R97 VanDerWaalsContact CA-O 3.22Å; T93-R97 WeakPolarHBondContact CA-O 3.3Å; T93-L98 HydrophobicContact CG2-CD1 3.95Å; T93-L124 HydrophobicContact CG2-CD1 4.41Å; T93-F133 HydrophobicContact CG2-CD2 3.89Å; T93-F133 HydrophobicContact CG2-CE2 3.83Å |
| 94 | K | 90.5 | Very high | 94.4 | Very high | 134 Ų | 134 | 67.3 Ų | 67.3 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 141.9 | -179.1 | -165.9 | -170.6 | 173.8 | -172.9 | 0 | 110.3 | D96 R97 | K94-D96 VanDerWaalsContact C-N 3.33Å; K94-D96 PolarHBondContact O-N 2.87Å; K94-R97 PolarHBondContact N-O 2.97Å; K94-R97 WeakPolarHBondContact O-CA 3.37Å; K94-R97 WeakPolarHBondContact O-CB 3.41Å; K94-R97 PolarHBondContact O-N 2.81Å |
| 95 | D | 89 | Confident | 94.5 | Very high | 124 Ų | 124 | 71.9 Ų | 71.9 | 66% | 0.663 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 48.4 | 172.5 | -53.9 | -36.7 | 0 | 0 | 0 | 113.2 | R97 | D95-R97 PolarHBondContact O-N 3.4Š|
| 96 | D | 90 | Very high | 94.4 | Very high | 133 Ų | 133 | 72.7 Ų | 72.7 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 28.7 | -175.6 | -59.9 | -37.9 | 0 | 0 | 0 | 114.5 | K94 L124 | K94-D96 VanDerWaalsContact C-N 3.33Å; K94-D96 PolarHBondContact O-N 2.87Å; D96-L124 WeakPolarHBondContact O-CB 3.43Å; D96-L124 PolarHBondContact O-N 2.77Å |
| 97 | R | 92.6 | Very high | 94.1 | Very high | 64 Ų | 64 | 71.8 Ų | 71.8 | 24% | 0.242 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.3 | 176.5 | -58.6 | 179.7 | -171.9 | -156.1 | 2.3 | 111.6 | D17 T93 K94 D95 Y122 | D17-R97 IonicContact OD1-NH2 3.61Å; D17-R97 IonicContact OD2-CZ 3.9Å; D17-R97 IonicContact OD2-NH2 2.73Å; D17-R97 PolarHBondContact OD2-NH2 3.17Å; T93-R97 CarbonylContact C-O 3.55Å; T93-R97 VanDerWaalsContact CA-O 3.22Å; T93-R97 WeakPolarHBondContact CA-O 3.3Å; K94-R97 PolarHBondContact N-O 2.97Å; K94-R97 WeakPolarHBondContact O-CA 3.37Å; K94-R97 WeakPolarHBondContact O-CB 3.41Å; K94-R97 PolarHBondContact O-N 2.81Å; D95-R97 PolarHBondContact O-N 3.4Å; R97-Y122 CarbonylContact C-O 3.6Å; R97-Y122 WeakPolarHBondContact CA-O 3.05Å |
| 98 | L | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.3 | 162.5 | 172.5 | 69.1 | 0 | 0 | 0 | 108.1 | F75 V77 I91 T93 I100 A121 Y122 L124 F133 I145 | F75-L98 HydrophobicContact CE1-CD2 4Å; V77-L98 HydrophobicContact CG2-CD2 4.25Å; I91-L98 HydrophobicContact CG2-CD1 3.54Å; T93-L98 HydrophobicContact CG2-CD1 3.95Å; L98-I100 HydrophobicContact CD2-CD1 4.42Å; L98-I100 HydrophobicContact CG-CG1 4.32Å; L98-A121 CarbonylContact O-C 3.56Å; L98-A121 WeakPolarHBondContact O-CA 2.9Å; L98-Y122 HydrophobicContact CD2-CD2 4.49Å; L98-Y122 PolarHBondContact N-O 2.82Å; L98-Y122 PolarHBondContact O-N 2.81Å; L98-L124 HydrophobicContact CB-CD2 3.74Å; L98-L124 HydrophobicContact CB-CG 4.35Å; L98-F133 HydrophobicContact CD2-CE1 4.31Å; L98-I145 HydrophobicContact CD1-CG2 4.28Å; L98-I145 HydrophobicContact CD2-CB 4.42Å; L98-I145 HydrophobicContact CD2-CD1 4.36Å; L98-I145 HydrophobicContact CD2-CG2 3.86Å |
| 99 | M | 95 | Very high | 93.2 | Very high | 68 Ų | 68 | 73.5 Ų | 73.5 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.3 | 177.2 | -66.1 | 179.8 | 63.7 | 0 | 0 | 109.5 | I91 T92 T119 R120 A121 | I91-M99 WeakPolarHBondContact CA-O 3.22Å; T92-M99 PolarHBondContact N-O 3.3Å; T92-M99 PolarHBondContact O-N 2.83Å; T92-M99 WeakPolarHBondContact OG1-CB 3.35Å; M99-T119 HydrophobicContact CE-CG2 4.47Å; M99-R120 CarbonylContact C-O 3.47Å; M99-R120 WeakPolarHBondContact CA-O 3.41Å; M99-A121 HydrophobicContact CG-CB 4.36Å |
| 100 | I | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.8 | 177.9 | -52.8 | 163.1 | 0 | 0 | 0 | 106.4 | V77 L79 E90 I91 L98 F118 T119 R120 Y122 L143 I145 | V77-I100 HydrophobicContact CG1-CD1 4.36Å; L79-I100 HydrophobicContact CD1-CB 4.45Å; L79-I100 HydrophobicContact CD1-CD1 3.56Å; L79-I100 HydrophobicContact CD1-CG2 4.12Å; L79-I100 HydrophobicContact CG-CD1 4.35Å; E90-I100 WeakPolarHBondContact O-CA 3.33Å; I91-I100 HydrophobicContact CG1-CG2 4.43Å; L98-I100 HydrophobicContact CD2-CD1 4.42Å; L98-I100 HydrophobicContact CG-CG1 4.32Å; I100-F118 HydrophobicContact CB-CE2 4.35Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.05Å; I100-T119 CarbonylContact O-C 3.55Å; I100-T119 WeakPolarHBondContact O-CA 3.32Å; I100-R120 PolarHBondContact N-O 2.82Å; I100-R120 PolarHBondContact O-N 2.94Å; I100-Y122 HydrophobicContact CD1-CD2 4.27Å; I100-Y122 HydrophobicContact CD1-CE2 3.91Å; I100-L143 HydrophobicContact CG2-CD2 4.1Å; I100-I145 HydrophobicContact CD1-CD1 3.36Å; I100-I145 HydrophobicContact CG1-CD1 3.66Å |
| 101 | H | 95.9 | Very high | 92.2 | Very high | 50 Ų | 50 | 82.8 Ų | 82.8 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.6 | 179 | -173.9 | 65.7 | 0 | 0 | 0 | 108.8 | L89 E90 E117 F118 T119 | L89-H101 WeakPolarHBondContact CA-O 3.41Å; E90-H101 HydrophobicContact CB-CB 4.38Å; E90-H101 PolarHBondContact N-O 2.84Å; E90-H101 PolarHBondContact O-N 3Å; H101-E117 IonicContact CE1-OE1 3.38Å; H101-E117 PolarHBondContact CE1-OE1 3Å; H101-F118 WeakPolarHBondContact CA-O 3.23Å; H101-F118 PolarHBondContact ND1-O 3.37Å; H101-T119 PolarHBondContact ND1-OG1 2.79Å |
| 102 | G | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 126.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | E88 E117 F118 | E88-G102 CarbonylContact O-C 3.52Å; E88-G102 VanDerWaalsContact O-CA 3.31Å; E88-G102 WeakPolarHBondContact O-CA 3.43Å; G102-E117 CarbonylContact O-C 3.44Å; G102-E117 WeakPolarHBondContact O-CA 3.33Å; G102-F118 PolarHBondContact N-O 2.82Å; G102-F118 PolarHBondContact O-N 2.7Å |
| 103 | M | 96 | Very high | 91.8 | Very high | 84 Ų | 84 | 85.8 Ų | 85.8 | 41% | 0.414 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 104.7 | -176.9 | -172.8 | -177 | 71.2 | 0 | 0 | 110.4 | E88 E117 | E88-M103 VanDerWaalsContact CB-O 3.31Å; E88-M103 WeakPolarHBondContact CB-O 3.2Å; E88-M103 WeakPolarHBondContact CG-O 3.33Å; E88-M103 PolarHBondContact O-N 3.17Å; M103-E117 HydrophobicContact CG-CG 4.47Å |
| 104 | H | 93.8 | Very high | 91.7 | Very high | 20 Ų | 20 | 84.6 Ų | 84.6 | 9% | 0.093 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.8 | 171.7 | -174.7 | 79.7 | 0 | 0 | 0 | 108.9 | F84 E88 N107 V114 K115 R116 | F84-H104 HydrophobicContact CD1-CB 3.96Å; F84-H104 HydrophobicContact CE1-CB 3.83Å; E88-H104 IonicContact OE1-CE1 3.59Å; E88-H104 IonicContact OE1-CG 3.9Å; E88-H104 IonicContact OE1-ND1 2.92Å; E88-H104 PolarHBondContact OE1-ND1 2.94Å; E88-H104 IonicContact OE2-CG 3.7Å; E88-H104 IonicContact OE2-ND1 2.92Å; E88-H104 PolarHBondContact OE2-ND1 2.81Å; H104-N107 PolarHBondContact CE1-ND2 3.25Å; H104-N107 PolarHBondContact NE2-ND2 2.88Å; H104-V114 PolarHBondContact CD2-O 3.29Å; H104-K115 WeakPolarHBondContact O-CG 3.21Å; H104-R116 WeakPolarHBondContact CA-O 3.42Å; H104-R116 HydrophobicContact CB-CB 4.1Å; H104-R116 PolarHBondContact N-O 2.86Å; H104-R116 PolarHBondContact O-N 3.14Å; H104-R116 VanDerWaalsContact O-O 3.09Å |
| 105 | E | 94.1 | Very high | 91.8 | Very high | 129 Ų | 129 | 84.6 Ų | 84.6 | 60% | 0.603 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 162.3 | 174.2 | -65 | -171 | 166 | 0 | 0 | 111.6 | N107 | E105-N107 PolarHBondContact O-N 2.82Å; E105-N107 PolarHBondContact O-ND2 3.21Å; E105-N107 VanDerWaalsContact O-ND2 3.12Å |
| 106 | E | 93.6 | Very high | 92 | Very high | 126 Ų | 126 | 83 Ų | 83 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 110.5 | 179.9 | -173.4 | 172.3 | -101 | 0 | 0 | 110.5 | Y113 V114 K115 | E106-Y113 HydrophobicContact CG-CD1 4.1Å; E106-Y113 HydrophobicContact CG-CG 4.34Å; E106-V114 WeakPolarHBondContact CA-O 3.46Å; E106-K115 HydrophobicContact CB-CB 4.09Å |
| 107 | N | 88.9 | Confident | 92.2 | Very high | 63 Ų | 63 | 82.3 Ų | 82.3 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.1 | 178.1 | -70.8 | -58.4 | 0 | 0 | 0 | 110.6 | H104 E105 Y113 V114 | H104-N107 PolarHBondContact CE1-ND2 3.25Å; H104-N107 PolarHBondContact NE2-ND2 2.88Å; E105-N107 PolarHBondContact O-N 2.82Å; E105-N107 PolarHBondContact O-ND2 3.21Å; E105-N107 VanDerWaalsContact O-ND2 3.12Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 WeakPolarHBondContact O-CA 3.4Å; N107-V114 PolarHBondContact N-O 2.77Å; N107-V114 PolarHBondContact O-N 2.8Å |
| 108 | K | 89.3 | Confident | 92.3 | Very high | 162 Ų | 162 | 80.8 Ų | 80.8 | 70% | 0.704 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.3 | 175 | -171.2 | 179.4 | 178.4 | -177 | 0 | 110 | G112 Y113 | K108-G112 CarbonylContact C-O 3.58Å; K108-G112 VanDerWaalsContact CA-O 3.29Å; K108-G112 WeakPolarHBondContact CA-O 3.45Å; K108-G112 WeakPolarHBondContact CG-O 3.22Å; K108-Y113 HydrophobicContact CB-CD1 4.25Å; K108-Y113 HydrophobicContact CB-CE1 4.11Å; K108-Y113 HydrophobicContact CG-CE1 4.5Å |
| 109 | D | 83.8 | Confident | 92.3 | Very high | 65 Ų | 65 | 83.2 Ų | 83.2 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -174.1 | 167.9 | 73.9 | 5.8 | 0 | 0 | 0 | 110.8 | H111 G112 V114 | D109-H111 PolarHBondContact O-N 3.28Å; D109-H111 VanDerWaalsContact O-N 3.13Å; D109-H111 WeakPolarHBondContact OD1-CA 3.38Å; D109-H111 PolarHBondContact OD1-N 3.11Å; D109-G112 PolarHBondContact N-O 2Å; D109-G112 PolarHBondContact OD1-N 2.95Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.29Å |
| 110 | D | 86.5 | Confident | 92.2 | Very high | 160 Ų | 160 | 82.1 Ų | 82.1 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.9 | -179.1 | -66.2 | -32.9 | 0 | 0 | 0 | 113.6 | ||
| 111 | H | 85.9 | Confident | 92.1 | Very high | 179 Ų | 179 | 84.5 Ų | 84.5 | 83% | 0.829 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -1.7 | -171.3 | -61.2 | -52.8 | 0 | 0 | 0 | 114.2 | D109 | D109-H111 PolarHBondContact O-N 3.28Å; D109-H111 VanDerWaalsContact O-N 3.13Å; D109-H111 WeakPolarHBondContact OD1-CA 3.38Å; D109-H111 PolarHBondContact OD1-N 3.11Å |
| 112 | G | 91.4 | Very high | 92 | Very high | 28 Ų | 28 | 83.1 Ų | 83.1 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.2 | -135.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K108 D109 | K108-G112 CarbonylContact C-O 3.58Å; K108-G112 VanDerWaalsContact CA-O 3.29Å; K108-G112 WeakPolarHBondContact CA-O 3.45Å; K108-G112 WeakPolarHBondContact CG-O 3.22Å; D109-G112 PolarHBondContact N-O 2Å; D109-G112 PolarHBondContact OD1-N 2.95Å |
| 113 | Y | 91.9 | Very high | 91.8 | Very high | 155 Ų | 155 | 85.5 Ų | 85.5 | 61% | 0.608 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.4 | 177.6 | -66.7 | -91.4 | 0 | 0 | 0 | 108.9 | E106 N107 K108 | E106-Y113 HydrophobicContact CG-CD1 4.1Å; E106-Y113 HydrophobicContact CG-CG 4.34Å; N107-Y113 CarbonylContact O-C 3.54Å; N107-Y113 WeakPolarHBondContact O-CA 3.4Å; K108-Y113 HydrophobicContact CB-CD1 4.25Å; K108-Y113 HydrophobicContact CB-CE1 4.11Å; K108-Y113 HydrophobicContact CG-CE1 4.5Å |
| 114 | V | 90.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 83 Ų | 83 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.2 | 178.9 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | H104 E106 N107 D109 R116 | H104-V114 PolarHBondContact CD2-O 3.29Å; E106-V114 WeakPolarHBondContact CA-O 3.46Å; N107-V114 PolarHBondContact N-O 2.77Å; N107-V114 PolarHBondContact O-N 2.8Å; D109-V114 WeakPolarHBondContact OD2-CG2 3.29Å; V114-R116 HydrophobicContact CG1-CG 3.95Å |
| 115 | K | 93.7 | Very high | 91.3 | Very high | 134 Ų | 134 | 83.3 Ų | 83.3 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.2 | 169.9 | -174.8 | 179.9 | 178 | 176 | 0 | 108.3 | H104 E106 | H104-K115 WeakPolarHBondContact O-CG 3.21Å; E106-K115 HydrophobicContact CB-CB 4.09Å |
| 116 | R | 92.7 | Very high | 91 | Very high | 90 Ų | 90 | 87 Ų | 87 | 34% | 0.34 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.1 | 177.2 | -58.8 | -177.3 | 179.2 | 90.9 | -1 | 110.1 | F84 H104 V114 | F84-R116 HydrophobicContact CE1-CB 4.09Å; F84-R116 HydrophobicContact CZ-CB 3.69Å; H104-R116 WeakPolarHBondContact CA-O 3.42Å; H104-R116 HydrophobicContact CB-CB 4.1Å; H104-R116 PolarHBondContact N-O 2.86Å; H104-R116 PolarHBondContact O-N 3.14Å; H104-R116 VanDerWaalsContact O-O 3.09Å; V114-R116 HydrophobicContact CG1-CG 3.95Å |
| 117 | E | 95.4 | Very high | 90.5 | Very high | 119 Ų | 119 | 83.1 Ų | 83.1 | 56% | 0.556 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 139.6 | 174.2 | -169.3 | -176.9 | 153.2 | 0 | 0 | 108.6 | H101 G102 M103 | H101-E117 IonicContact CE1-OE1 3.38Å; H101-E117 PolarHBondContact CE1-OE1 3Å; G102-E117 CarbonylContact O-C 3.44Å; G102-E117 WeakPolarHBondContact O-CA 3.33Å; M103-E117 HydrophobicContact CG-CG 4.47Å |
| 118 | F | 94.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 81.3 Ų | 81.3 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 151.7 | 169.8 | 77.3 | -92.5 | 0 | 0 | 0 | 111.3 | L79 V81 F84 L89 I100 H101 G102 R120 | L79-F118 HydrophobicContact CD1-CE2 4.37Å; V81-F118 HydrophobicContact CG1-CE1 4.13Å; V81-F118 HydrophobicContact CG1-CZ 3.89Å; F84-F118 HydrophobicContact CD1-CE1 4.44Å; F84-F118 HydrophobicContact CD2-CD1 4.33Å; F84-F118 AromaticContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CD2-CE1 3.93Å; F84-F118 HydrophobicContact CE1-CD1 4.04Å; F84-F118 HydrophobicContact CE1-CE1 4.21Å; F84-F118 AromaticContact CE2-CD1 3.62Å; F84-F118 HydrophobicContact CE2-CD1 3.62Å; F84-F118 AromaticContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CE2-CE1 3.69Å; F84-F118 HydrophobicContact CG-CE1 4.31Å; F84-F118 AromaticContact CZ-CD1 3.46Å; F84-F118 HydrophobicContact CZ-CD1 3.46Å; F84-F118 VanDerWaalsContact CZ-CD1 3.46Å; F84-F118 AromaticContact CZ-CE1 3.85Å; F84-F118 HydrophobicContact CZ-CE1 3.85Å; L89-F118 HydrophobicContact CD2-CE1 3.89Å; L89-F118 HydrophobicContact CD2-CZ 3.9Å; I100-F118 HydrophobicContact CB-CE2 4.35Å; I100-F118 HydrophobicContact CG2-CE2 3.79Å; I100-F118 HydrophobicContact CG2-CZ 4.05Å; H101-F118 WeakPolarHBondContact CA-O 3.23Å; H101-F118 PolarHBondContact ND1-O 3.37Å; G102-F118 PolarHBondContact N-O 2.82Å; G102-F118 PolarHBondContact O-N 2.7Å; F118-R120 HydrophobicContact CD2-CG 4.1Å |
| 119 | T | 93.8 | Very high | 90.2 | Very high | 51 Ų | 51 | 75.9 Ų | 75.9 | 31% | 0.313 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 127.2 | 166.1 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | N10 M99 I100 H101 | N10-T119 PolarHBondContact ND2-O 2.9Å; M99-T119 HydrophobicContact CE-CG2 4.47Å; I100-T119 CarbonylContact O-C 3.55Å; I100-T119 WeakPolarHBondContact O-CA 3.32Å; H101-T119 PolarHBondContact ND1-OG1 2.79Å |
| 120 | R | 92.5 | Very high | 90.2 | Very high | 44 Ų | 44 | 76.7 Ų | 76.7 | 17% | 0.166 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.1 | 173.7 | -72.1 | -176.3 | 178.6 | 160.8 | 2.5 | 110.1 | G64 V65 M99 I100 F118 Y122 | G64-R120 PolarHBondContact O-NH1 2.82Å; V65-R120 VanDerWaalsContact N-NH1 3.2Å; M99-R120 CarbonylContact C-O 3.47Å; M99-R120 WeakPolarHBondContact CA-O 3.41Å; I100-R120 PolarHBondContact N-O 2.82Å; I100-R120 PolarHBondContact O-N 2.94Å; F118-R120 HydrophobicContact CD2-CG 4.1Å; R120-Y122 HydrophobicContact CB-CE2 3.95Å |
| 121 | A | 93.5 | Very high | 90.2 | Very high | 50 Ų | 50 | 77.9 Ų | 77.9 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L98 M99 | L98-A121 CarbonylContact O-C 3.56Å; L98-A121 WeakPolarHBondContact O-CA 2.9Å; M99-A121 HydrophobicContact CG-CB 4.36Å |
| 122 | Y | 93.6 | Very high | 90.3 | Very high | 21 Ų | 21 | 70.8 Ų | 70.8 | 8% | 0.082 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.3 | 175.5 | -62.5 | -85.1 | 0 | 0 | 0 | 109.2 | V65 V68 V77 L79 R97 L98 I100 R120 | V65-Y122 VanDerWaalsContact CG2-OH 3.29Å; V65-Y122 WeakPolarHBondContact CG2-OH 3.43Å; V68-Y122 HydrophobicContact CG2-CD1 4.32Å; V68-Y122 HydrophobicContact CG2-CE1 3.72Å; V77-Y122 HydrophobicContact CG1-CD2 4.28Å; V77-Y122 HydrophobicContact CG1-CE1 4.31Å; V77-Y122 HydrophobicContact CG1-CE2 3.68Å; V77-Y122 HydrophobicContact CG2-CD1 4.25Å; V77-Y122 HydrophobicContact CG2-CD2 4.14Å; V77-Y122 HydrophobicContact CG2-CE1 4.43Å; V77-Y122 HydrophobicContact CG2-CE2 4.33Å; V77-Y122 HydrophobicContact CG2-CG 4.1Å; L79-Y122 WeakPolarHBondContact CD2-OH 3.32Å; R97-Y122 CarbonylContact C-O 3.6Å; R97-Y122 WeakPolarHBondContact CA-O 3.05Å; L98-Y122 HydrophobicContact CD2-CD2 4.49Å; L98-Y122 PolarHBondContact N-O 2.82Å; L98-Y122 PolarHBondContact O-N 2.81Å; I100-Y122 HydrophobicContact CD1-CD2 4.27Å; I100-Y122 HydrophobicContact CD1-CE2 3.91Å; R120-Y122 HydrophobicContact CB-CE2 3.95Å |
| 123 | C | 91.7 | Very high | 90.5 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.4 | 173.3 | -74.7 | 0 | 0 | 0 | 0 | 110.9 | C15 | C15-C123 HydrophobicContact CB-CB 4.15Å; C15-C123 WeakPolarHBondContact CB-SG 3.44Å; C15-C123 WeakPolarHBondContact SG-CB 3.42Å; C15-C123 CovalentContact SG-SG 2Å; C15-C123 PolarHBondContact SG-SG 2.85Å |
| 124 | L | 91.4 | Very high | 90.6 | Very high | 30 Ų | 30 | 71 Ų | 71 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -80 | 132.6 | -177.3 | -64.6 | -178.1 | 0 | 0 | 0 | 109.7 | F75 T93 D96 L98 F133 | F75-L124 HydrophobicContact CD1-CD2 4.1Å; F75-L124 HydrophobicContact CE1-CD2 3.69Å; F75-L124 HydrophobicContact CZ-CD2 4.19Å; T93-L124 HydrophobicContact CG2-CD1 4.41Å; D96-L124 WeakPolarHBondContact O-CB 3.43Å; D96-L124 PolarHBondContact O-N 2.77Å; L98-L124 HydrophobicContact CB-CD2 3.74Å; L98-L124 HydrophobicContact CB-CG 4.35Å; L124-F133 HydrophobicContact CD1-CE2 3.99Å; L124-F133 HydrophobicContact CD1-CZ 4.04Å; L124-F133 HydrophobicContact CD2-CE1 4.41Å; L124-F133 HydrophobicContact CD2-CE2 4.35Å; L124-F133 HydrophobicContact CD2-CZ 3.56Å; L124-F133 HydrophobicContact CG-CZ 4.45Å |
| 125 | P | 89.3 | Confident | 90.9 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 153.8 | 169.3 | 30.7 | -37.8 | 0 | 0 | 0 | 110.1 | N70 F75 I128 | N70-P125 WeakPolarHBondContact OD1-CG 3.33Å; F75-P125 HydrophobicContact CB-CG 4.22Å; F75-P125 HydrophobicContact CD2-CG 4.1Å; F75-P125 HydrophobicContact CG-CG 4.32Å; P125-I128 HydrophobicContact CG-CD1 3.37Å; P125-I128 HydrophobicContact CG-CG1 4.01Å |
| 126 | K | 86.2 | Confident | 91 | Very high | 208 Ų | 208 | 71.9 Ų | 71.9 | 90% | 0.904 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 142.7 | 175.9 | -63.1 | -178.1 | 179.2 | -179.3 | 0 | 110.8 | ||
| 127 | G | 84.2 | Confident | 91.2 | Very high | 44 Ų | 44 | 70.6 Ų | 70.6 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 14.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V150 | G127-V150 WeakPolarHBondContact O-CB 3.35Å; G127-V150 PolarHBondContact O-N 2.88Å |
| 128 | I | 87.6 | Confident | 91.3 | Very high | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 126.9 | 166.2 | -65.3 | -176.4 | 0 | 0 | 0 | 108.8 | F75 P125 F133 A147 K149 | F75-I128 HydrophobicContact CB-CD1 3.34Å; F75-I128 HydrophobicContact CD1-CD1 4.12Å; F75-I128 HydrophobicContact CG-CD1 3.84Å; P125-I128 HydrophobicContact CG-CD1 3.37Å; P125-I128 HydrophobicContact CG-CG1 4.01Å; I128-F133 HydrophobicContact CG2-CD2 4.39Å; I128-F133 HydrophobicContact CG2-CE2 3.55Å; I128-F133 HydrophobicContact CG2-CZ 3.72Å; I128-A147 HydrophobicContact CD1-CB 4.37Å; I128-A147 HydrophobicContact CG2-CB 3.71Å; I128-K149 HydrophobicContact CD1-CG 4.38Å; I128-K149 HydrophobicContact CG1-CG 3.99Å |
| 129 | S | 84.2 | Confident | 91.3 | Very high | 47 Ų | 47 | 74.2 Ų | 74.2 | 33% | 0.329 | 41% | 0.409 | S | S | . | . | trans | -83.4 | 135.8 | 167.2 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | E131 S132 | S129-E131 PolarHBondContact O-N 2.94Å; S129-E131 VanDerWaalsContact O-N 3.17Å; S129-S132 WeakPolarHBondContact O-CB 3.22Å; S129-S132 PolarHBondContact O-N 3.21Å; S129-S132 PolarHBondContact O-OG 3.26Å; S129-S132 WeakPolarHBondContact OG-CB 3.32Å; S129-S132 PolarHBondContact OG-OG 2.73Å | ||
| 130 | P | 84.1 | Confident | 91.3 | Very high | 83 Ų | 83 | 76.8 Ų | 76.8 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -60.5 | -27 | 179.2 | 23.9 | -33.6 | 0 | 0 | 0 | 112.5 | S132 F133 | P130-S132 VanDerWaalsContact C-N 3.27Å; P130-S132 PolarHBondContact O-N 2.83Å; P130-F133 WeakPolarHBondContact O-CD2 3.38Å |
| 131 | E | 85.8 | Confident | 91.4 | Very high | 185 Ų | 185 | 75.2 Ų | 75.2 | 86% | 0.864 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -74 | -15 | 176.8 | -60.6 | 178.8 | 179.2 | 0 | 0 | 113.6 | S129 F133 | S129-E131 PolarHBondContact O-N 2.94Å; S129-E131 VanDerWaalsContact O-N 3.17Å; E131-F133 VanDerWaalsContact C-N 3.3Å |
| 132 | S | 88.6 | Confident | 91.5 | Very high | 29 Ų | 29 | 74.7 Ų | 74.7 | 20% | 0.203 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -81.5 | -8.2 | -179.9 | 69.1 | 0 | 0 | 0 | 0 | 114 | S129 P130 | S129-S132 WeakPolarHBondContact O-CB 3.22Å; S129-S132 PolarHBondContact O-N 3.21Å; S129-S132 PolarHBondContact O-OG 3.26Å; S129-S132 WeakPolarHBondContact OG-CB 3.32Å; S129-S132 PolarHBondContact OG-OG 2.73Å; P130-S132 VanDerWaalsContact C-N 3.27Å; P130-S132 PolarHBondContact O-N 2.83Å |
| 133 | F | 94.1 | Very high | 91.7 | Very high | 39 Ų | 39 | 74 Ų | 74 | 17% | 0.171 | 41% | 0.407 | C | S | . | . | trans | -67.7 | 137.1 | -179.8 | -81.1 | -76.2 | 0 | 0 | 0 | 112 | F75 T93 L98 L124 I128 P130 E131 I145 E146 A147 | F75-F133 HydrophobicContact CD1-CE1 4.04Å; F75-F133 HydrophobicContact CD1-CZ 4.33Å; F75-F133 HydrophobicContact CE1-CE1 4.36Å; T93-F133 HydrophobicContact CG2-CD2 3.89Å; T93-F133 HydrophobicContact CG2-CE2 3.83Å; L98-F133 HydrophobicContact CD2-CE1 4.31Å; L124-F133 HydrophobicContact CD1-CE2 3.99Å; L124-F133 HydrophobicContact CD1-CZ 4.04Å; L124-F133 HydrophobicContact CD2-CE1 4.41Å; L124-F133 HydrophobicContact CD2-CE2 4.35Å; L124-F133 HydrophobicContact CD2-CZ 3.56Å; L124-F133 HydrophobicContact CG-CZ 4.45Å; I128-F133 HydrophobicContact CG2-CD2 4.39Å; I128-F133 HydrophobicContact CG2-CE2 3.55Å; I128-F133 HydrophobicContact CG2-CZ 3.72Å; P130-F133 WeakPolarHBondContact O-CD2 3.38Å; E131-F133 VanDerWaalsContact C-N 3.3Å; F133-I145 HydrophobicContact CD1-CG2 3.69Å; F133-I145 HydrophobicContact CE1-CG2 4.19Å; F133-E146 CarbonylContact C-O 3.54Å; F133-E146 WeakPolarHBondContact CA-O 3.1Å; F133-A147 HydrophobicContact CD1-CB 3.55Å; F133-A147 HydrophobicContact CD2-CB 4.25Å; F133-A147 HydrophobicContact CE1-CB 3.46Å; F133-A147 VanDerWaalsContact CE1-CB 3.46Å; F133-A147 HydrophobicContact CE2-CB 4.17Å; F133-A147 HydrophobicContact CG-CB 3.94Å; F133-A147 HydrophobicContact CZ-CB 3.76Å | ||
| 134 | K | 95.5 | Very high | 91.9 | Very high | 150 Ų | 150 | 73.2 Ų | 73.2 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.5 | 169.8 | -64 | -177.6 | -178.8 | 179.5 | 0 | 108.7 | I145 E146 | K134-I145 CarbonylContact O-C 3.52Å; K134-I145 WeakPolarHBondContact O-CA 3.36Å; K134-E146 HydrophobicContact CB-CG 4.37Å; K134-E146 PolarHBondContact N-O 3.34Å; K134-E146 PolarHBondContact O-N 3.23Å |
| 135 | S | 95.9 | Very high | 92.2 | Very high | 80 Ų | 80 | 71.9 Ų | 71.9 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 147.6 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | T144 | S135-T144 CarbonylContact C-O 3.51Å; S135-T144 VanDerWaalsContact CA-O 3.3Å; S135-T144 WeakPolarHBondContact CA-O 3.32Å |
| 136 | N | 96.9 | Very high | 92.5 | Very high | 104 Ų | 104 | 74.5 Ų | 74.5 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 132.5 | 173.2 | -174.4 | -88.6 | 0 | 0 | 0 | 109.2 | T144 | N136-T144 PolarHBondContact N-O 3.4Å; N136-T144 PolarHBondContact O-N 3.38Å |
| 137 | L | 97 | Very high | 92.8 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.4 | 173.1 | 179.4 | 61.4 | 0 | 0 | 0 | 108.6 | V81 P86 L89 L143 | V81-L137 HydrophobicContact CG2-CD1 3.65Å; P86-L137 HydrophobicContact CB-CD2 4.03Å; P86-L137 HydrophobicContact CG-CD2 3.79Å; L89-L137 HydrophobicContact CD1-CD2 4.38Å; L137-L143 HydrophobicContact CD1-CB 4.2Å |
| 138 | S | 96 | Very high | 93.1 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 25% | 0.252 | 36% | 0.363 | S | S | . | . | trans | -80.8 | 161.5 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | N140 G141 L142 | S138-N140 WeakPolarHBondContact CB-OD1 3.43Å; S138-N140 PolarHBondContact O-N 2.84Å; S138-N140 VanDerWaalsContact O-N 3.17Å; S138-N140 PolarHBondContact OG-OD1 3.06Å; S138-G141 PolarHBondContact O-N 2.92Å; S138-L142 PolarHBondContact N-O 2.88Å; S138-L142 WeakPolarHBondContact OG-CA 3.43Å; S138-L142 VanDerWaalsContact OG-CB 3.24Å; S138-L142 WeakPolarHBondContact OG-CB 3.31Å; S138-L142 PolarHBondContact OG-N 2.8Å; S138-L142 PolarHBondContact OG-O 2.88Å; S138-L142 VanDerWaalsContact OG-O 3.08Å | ||
| 139 | L | 94.9 | Very high | 93.2 | Very high | 193 Ų | 193 | 66 Ų | 66 | 100% | 1.01 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -23.4 | -179.2 | -66.6 | 172.8 | 0 | 0 | 0 | 114.2 | G141 | L139-G141 VanDerWaalsContact C-N 3.27Š|
| 140 | N | 93.5 | Very high | 92.7 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 11 | 174.8 | 64.3 | -24.1 | 0 | 0 | 0 | 113.1 | S138 L142 | S138-N140 WeakPolarHBondContact CB-OD1 3.43Å; S138-N140 PolarHBondContact O-N 2.84Å; S138-N140 VanDerWaalsContact O-N 3.17Å; S138-N140 PolarHBondContact OG-OD1 3.06Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å |
| 141 | G | 95 | Very high | 91.7 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 81.1 | 22.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V81 A82 S138 L139 | V81-G141 CarbonylContact C-O 3.53Å; V81-G141 VanDerWaalsContact CG2-O 3.23Å; V81-G141 WeakPolarHBondContact CG2-O 3.31Å; V81-G141 PolarHBondContact N-O 2.92Å; A82-G141 PolarHBondContact N-O 2.83Å; S138-G141 PolarHBondContact O-N 2.92Å; L139-G141 VanDerWaalsContact C-N 3.27Å |
| 142 | L | 96 | Very high | 90.2 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.6 | 176.9 | -49.6 | -175.6 | 0 | 0 | 0 | 110.5 | L66 L79 D80 S138 N140 | L66-L142 HydrophobicContact CD1-CD1 3.86Å; L66-L142 HydrophobicContact CD1-CD2 3.35Å; L66-L142 HydrophobicContact CD1-CG 4.13Å; L79-L142 CarbonylContact O-C 3.54Å; L79-L142 WeakPolarHBondContact O-CA 3.49Å; D80-L142 HydrophobicContact CB-CD2 4.07Å; S138-L142 PolarHBondContact N-O 2.88Å; S138-L142 WeakPolarHBondContact OG-CA 3.43Å; S138-L142 VanDerWaalsContact OG-CB 3.24Å; S138-L142 WeakPolarHBondContact OG-CB 3.31Å; S138-L142 PolarHBondContact OG-N 2.8Å; S138-L142 PolarHBondContact OG-O 2.88Å; S138-L142 VanDerWaalsContact OG-O 3.08Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å |
| 143 | L | 97.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 74 Ų | 74 | 4% | 0.037 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.4 | 173.5 | 177.2 | 62.5 | 0 | 0 | 0 | 109.3 | T78 L79 V81 I91 I100 L137 I145 | T78-L143 CarbonylContact C-O 3.52Å; T78-L143 WeakPolarHBondContact CA-O 3.21Å; L79-L143 HydrophobicContact CB-CB 4.49Å; L79-L143 PolarHBondContact N-O 2.93Å; L79-L143 PolarHBondContact O-N 3.21Å; V81-L143 HydrophobicContact CG1-CB 4.36Å; V81-L143 HydrophobicContact CG2-CB 3.67Å; I91-L143 HydrophobicContact CD1-CD1 4.23Å; I91-L143 HydrophobicContact CD1-CD2 4.25Å; I100-L143 HydrophobicContact CG2-CD2 4.1Å; L137-L143 HydrophobicContact CD1-CB 4.2Å; L143-I145 HydrophobicContact CD1-CG1 4.32Å; L143-I145 HydrophobicContact CD2-CD1 4.11Å; L143-I145 HydrophobicContact CD2-CG1 4.5Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å |
| 144 | T | 96.8 | Very high | 86.4 | Confident | 33 Ų | 33 | 79.8 Ų | 79.8 | 20% | 0.202 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.4 | 172.3 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | Q76 V77 S135 N136 | Q76-T144 HydrophobicContact CG-CG2 3.86Å; V77-T144 CarbonylContact O-C 3.46Å; V77-T144 WeakPolarHBondContact O-CA 3.41Å; S135-T144 CarbonylContact C-O 3.51Å; S135-T144 VanDerWaalsContact CA-O 3.3Å; S135-T144 WeakPolarHBondContact CA-O 3.32Å; N136-T144 PolarHBondContact N-O 3.4Å; N136-T144 PolarHBondContact O-N 3.38Å |
| 145 | I | 96.8 | Very high | 84.4 | Confident | 2 Ų | 2 | 78.1 Ų | 78.1 | 1% | 0.01 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123 | 175.4 | -58.7 | 165.2 | 0 | 0 | 0 | 107.1 | Q76 V77 I91 L98 I100 F133 K134 L143 | Q76-I145 CarbonylContact C-O 3.59Å; Q76-I145 WeakPolarHBondContact CA-O 3.47Å; V77-I145 PolarHBondContact N-O 3.3Å; V77-I145 PolarHBondContact O-N 3.29Å; I91-I145 HydrophobicContact CD1-CD1 3.59Å; I91-I145 HydrophobicContact CD1-CG1 3.84Å; I91-I145 HydrophobicContact CG1-CD1 3.91Å; I91-I145 HydrophobicContact CG2-CD1 4.04Å; L98-I145 HydrophobicContact CD1-CG2 4.28Å; L98-I145 HydrophobicContact CD2-CB 4.42Å; L98-I145 HydrophobicContact CD2-CD1 4.36Å; L98-I145 HydrophobicContact CD2-CG2 3.86Å; I100-I145 HydrophobicContact CD1-CD1 3.36Å; I100-I145 HydrophobicContact CG1-CD1 3.66Å; F133-I145 HydrophobicContact CD1-CG2 3.69Å; F133-I145 HydrophobicContact CE1-CG2 4.19Å; K134-I145 CarbonylContact O-C 3.52Å; K134-I145 WeakPolarHBondContact O-CA 3.36Å; L143-I145 HydrophobicContact CD1-CG1 4.32Å; L143-I145 HydrophobicContact CD2-CD1 4.11Å; L143-I145 HydrophobicContact CD2-CG1 4.5Å; L143-I145 HydrophobicContact CG-CD1 4.27Å; L143-I145 HydrophobicContact CG-CG1 4.14Å |
| 146 | E | 95.2 | Very high | 82.9 | Confident | 82 Ų | 82 | 78.8 Ų | 78.8 | 38% | 0.383 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.1 | -178.6 | 62.3 | 174.5 | -165.9 | 0 | 0 | 112.3 | F75 Q76 F133 K134 | F75-E146 CarbonylContact O-C 3.53Å; F75-E146 VanDerWaalsContact O-CA 3.27Å; F75-E146 WeakPolarHBondContact O-CA 3.44Å; Q76-E146 HydrophobicContact CB-CB 4.1Å; Q76-E146 HydrophobicContact CG-CB 4.11Å; F133-E146 CarbonylContact C-O 3.54Å; F133-E146 WeakPolarHBondContact CA-O 3.1Å; K134-E146 HydrophobicContact CB-CG 4.37Å; K134-E146 PolarHBondContact N-O 3.34Å; K134-E146 PolarHBondContact O-N 3.23Å |
| 147 | A | 94.2 | Very high | 81.8 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 3% | 0.025 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | K74 F75 I128 F133 | K74-A147 CarbonylContact C-O 3.57Å; K74-A147 VanDerWaalsContact CA-O 3.29Å; K74-A147 WeakPolarHBondContact CA-O 3.44Å; K74-A147 WeakPolarHBondContact CB-O 3.36Å; F75-A147 PolarHBondContact N-O 3.22Å; F75-A147 PolarHBondContact O-N 3.12Å; I128-A147 HydrophobicContact CD1-CB 4.37Å; I128-A147 HydrophobicContact CG2-CB 3.71Å; F133-A147 HydrophobicContact CD1-CB 3.55Å; F133-A147 HydrophobicContact CD2-CB 4.25Å; F133-A147 HydrophobicContact CE1-CB 3.46Å; F133-A147 VanDerWaalsContact CE1-CB 3.46Å; F133-A147 HydrophobicContact CE2-CB 4.17Å; F133-A147 HydrophobicContact CG-CB 3.94Å; F133-A147 HydrophobicContact CZ-CB 3.76Å |
| 148 | A | 90.7 | Very high | 80.7 | Confident | 60 Ų | 60 | 87 Ų | 87 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 133.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V150 | A148-V150 PolarHBondContact O-N 3.13Å |
| 149 | K | 88 | Confident | 80.1 | Confident | 37 Ų | 37 | 94.5 Ų | 94.5 | 16% | 0.161 | 50% | 0.496 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 130.2 | 167.5 | -67.3 | -173.6 | -175.4 | 171.2 | 0 | 107.3 | N70 D71 K73 I128 G151 | N70-K149 WeakPolarHBondContact OD1-CE 3.38Å; N70-K149 PolarHBondContact OD1-NZ 2.92Å; D71-K149 WeakPolarHBondContact O-CD 3.17Å; D71-K149 WeakPolarHBondContact O-CE 3.5Å; D71-K149 PolarHBondContact O-NZ 3.08Å; K73-K149 PolarHBondContact O-N 2.51Å; I128-K149 HydrophobicContact CD1-CG 4.38Å; I128-K149 HydrophobicContact CG1-CG 3.99Å; K149-G151 PolarHBondContact O-N 3.17Å |
| 150 | V | 75.2 | Confident | 79.6 | Confident | 86 Ų | 86 | 92.1 Ų | 92.1 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | trans | -72.8 | 69.6 | 164.7 | -170.1 | 0 | 0 | 0 | 0 | 106.4 | G127 A148 R152 | G127-V150 WeakPolarHBondContact O-CB 3.35Å; G127-V150 PolarHBondContact O-N 2.88Å; A148-V150 PolarHBondContact O-N 3.13Å; V150-R152 PolarHBondContact O-N 2.88Å | ||
| 151 | G | 62.5 | Low | 79.2 | Confident | 50 Ų | 50 | 92.2 Ų | 92.2 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | trans | -57.9 | 122.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | K149 L153 | K149-G151 PolarHBondContact O-N 3.17Å; G151-L153 PolarHBondContact O-N 2.85Å; G151-L153 VanDerWaalsContact O-N 3.12Å | ||
| 152 | R | 54.4 | Low | 78.8 | Confident | 224 Ų | 224 | 99.4 Ų | 99.4 | 85% | 0.845 | 52% | 0.523 | S | S | * | . | trans | -6 | 104.3 | -178.5 | -65.5 | -179.6 | -173.2 | -175.7 | 2 | 110.4 | V150 H154 | V150-R152 PolarHBondContact O-N 2.88Å; R152-H154 VanDerWaalsContact C-N 3.29Å; R152-H154 WeakPolarHBondContact O-CA 3.47Å; R152-H154 PolarHBondContact O-N 2.85Å | ||
| 153 | L | 51.4 | Low | 78.5 | Confident | 151 Ų | 151 | 106 Ų | 106 | 79% | 0.791 | 55% | 0.553 | S | S | * | * | trans | -33.7 | 110 | 156.6 | -102 | 166.2 | 0 | 0 | 0 | 104.3 | G151 S155 | G151-L153 PolarHBondContact O-N 2.85Å; G151-L153 VanDerWaalsContact O-N 3.12Å; L153-S155 PolarHBondContact O-N 3.43Å | ||
| 154 | H | 51.8 | Low | 77.9 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 75% | 0.745 | 59% | 0.593 | S | S | * | * | trans | -40.9 | 119.5 | -175.4 | -47.1 | -72.7 | 0 | 0 | 0 | 104.4 | R152 V156 | R152-H154 VanDerWaalsContact C-N 3.29Å; R152-H154 WeakPolarHBondContact O-CA 3.47Å; R152-H154 PolarHBondContact O-N 2.85Å; H154-V156 WeakPolarHBondContact O-CG2 3.48Å; H154-V156 PolarHBondContact O-N 2.99Å | ||
| 155 | S | 53.8 | Low | 77.1 | Confident | 115 Ų | 115 | 120 Ų | 120 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | trans | -62.4 | 92.3 | -179.9 | 39.2 | 0 | 0 | 0 | 0 | 104.2 | L153 E157 | L153-S155 PolarHBondContact O-N 3.43Å; S155-E157 PolarHBondContact O-N 2.78Å | ||
| 156 | V | 63.6 | Low | 76.4 | Confident | 94 Ų | 94 | 130 Ų | 130 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | trans | -63.8 | 111.4 | -176.3 | 176 | 0 | 0 | 0 | 0 | 102 | H154 H158 | H154-V156 WeakPolarHBondContact O-CG2 3.48Å; H154-V156 PolarHBondContact O-N 2.99Å; V156-H158 VanDerWaalsContact C-N 3.29Å; V156-H158 PolarHBondContact O-CD2 3.07Å; V156-H158 PolarHBondContact O-N 3.02Å | ||
| 157 | E | 73.4 | Confident | 75.2 | Confident | 185 Ų | 185 | 139.2 Ų | 139.2 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -62.4 | 101.2 | 175.2 | -174 | -179.3 | 174.5 | 0 | 0 | 106.5 | S155 K159 | S155-E157 PolarHBondContact O-N 2.78Å; E157-K159 PolarHBondContact O-N 3.38Å | ||
| 158 | H | 74.7 | Confident | 74.2 | Confident | 153 Ų | 153 | 146 Ų | 146 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -85.5 | 108.5 | 174.8 | -77.7 | -77.1 | 0 | 0 | 0 | 107.8 | V156 I160 | V156-H158 VanDerWaalsContact C-N 3.29Å; V156-H158 PolarHBondContact O-CD2 3.07Å; V156-H158 PolarHBondContact O-N 3.02Å; H158-I160 PolarHBondContact O-N 3.39Å | ||
| 159 | K | 82.9 | Confident | 73.3 | Confident | 193 Ų | 193 | 150.5 Ų | 150.5 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -69.9 | 114.4 | 173 | -170.8 | 174.8 | -177 | 178 | 0 | 109.3 | E157 P161 | E157-K159 PolarHBondContact O-N 3.38Å; K159-P161 WeakPolarHBondContact O-CD 3.29Å | ||
| 160 | I | 84.5 | Confident | 72.5 | Confident | 144 Ų | 144 | 156.8 Ų | 156.8 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -86.7 | 116.6 | 174.2 | -56.6 | 173.8 | 0 | 0 | 0 | 108 | H158 | H158-I160 PolarHBondContact O-N 3.39Š| ||
| 161 | P | 85.5 | Confident | 72.4 | Confident | 106 Ų | 106 | 161 Ų | 161 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 137.4 | 175.5 | 29 | -32.3 | 0 | 0 | 0 | 110.6 | K159 | K159-P161 WeakPolarHBondContact O-CD 3.29Š| ||
| 162 | I | 86.4 | Confident | 73 | Confident | 162 Ų | 162 | 167.9 Ų | 167.9 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -99.4 | 113.9 | 172.5 | -58.6 | 174.4 | 0 | 0 | 0 | 107.8 | ||||
| 163 | E | 90.3 | Very high | 74.2 | Confident | 178 Ų | 178 | 164.2 Ų | 164.2 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 135.8 | 171 | -64.9 | -172.4 | 176.9 | 0 | 0 | 110.4 | ||
| 164 | R | 83 | Confident | 75.8 | Confident | 233 Ų | 233 | 165.1 Ų | 165.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 135.6 | 175.2 | -67 | -176.6 | 178.8 | -174.1 | -0.3 | 109.6 | K166 | R164-K166 PolarHBondContact O-N 3.22Š|
| 165 | A | 81.4 | Confident | 77.7 | Confident | 102 Ų | 102 | 165.5 Ų | 165.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 166 | K | 81.5 | Confident | 79.7 | Confident | 210 Ų | 210 | 169.7 Ų | 169.7 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 132.5 | 170.5 | -67.5 | -179.7 | -178.8 | 175.6 | 0 | 108.6 | R164 | R164-K166 PolarHBondContact O-N 3.22Š|
| 167 | K | 69.2 | Low | 81.2 | Confident | 276 Ų | 276 | 176.5 Ų | 176.5 | 100% | 1.2 | 85% | 0.849 | S | S | * | * | trans | -79.2 | 0 | 176.5 | -171.3 | 178 | -179.1 | -178.9 | 0 | 110.9 |
Retrieved 167 of 167 residues in 69.7 ms
(Link to these results)