| 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 | 39.9 | Very low | 44.9 | Very low | 240 Ų | 240 | 173.7 Ų | 173.7 | 100% | 1.182 | 84% | 0.836 | S | S | * | * | 0 | 124.8 | 0 | -64.4 | 92.2 | 158.9 | 0 | 0 | 108.8 | |||||
| 2 | S | 41 | Very low | 45.5 | Very low | 114 Ų | 114 | 167.3 Ų | 167.3 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -81.2 | 129.9 | -173.2 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | I | 44.1 | Very low | 45.4 | Very low | 147 Ų | 147 | 168.6 Ų | 168.6 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -105.9 | 102 | 159.2 | -58.1 | 167.7 | 0 | 0 | 0 | 106.1 | W5 | I3-W5 PolarHBondContact O-N 3.17Å; I3-W5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | K | 42.9 | Very low | 46.2 | Very low | 193 Ų | 193 | 166.5 Ų | 166.5 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -62.2 | 108.4 | 174.3 | -74.5 | 164.1 | 173.6 | 163.7 | 0 | 108.1 | A6 | K4-A6 PolarHBondContact O-N 3.24Š| ||
| 5 | W | 40.3 | Very low | 46.8 | Very low | 239 Ų | 239 | 163.9 Ų | 163.9 | 91% | 0.905 | 81% | 0.812 | S | S | * | * | trans | -72.6 | 99.7 | 164.4 | -74.4 | 70.4 | 0 | 0 | 0 | 106.8 | I3 R7 | I3-W5 PolarHBondContact O-N 3.17Å; I3-W5 VanDerWaalsContact O-N 3.17Å; W5-R7 PolarHBondContact O-N 3.06Å | ||
| 6 | A | 45.8 | Very low | 47.4 | Very low | 77 Ų | 77 | 159.1 Ų | 159.1 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 125.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | K4 F8 | K4-A6 PolarHBondContact O-N 3.24Å; A6-F8 PolarHBondContact O-N 2.83Å | ||
| 7 | R | 46.3 | Very low | 47.8 | Very low | 244 Ų | 244 | 163.8 Ų | 163.8 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 87.5 | 169.5 | -174 | 164.7 | 171.5 | 93.2 | -4.5 | 107.6 | W5 H9 | W5-R7 PolarHBondContact O-N 3.06Å; R7-H9 PolarHBondContact O-N 3.14Å | ||
| 8 | F | 43.6 | Very low | 47.7 | Very low | 187 Ų | 187 | 164.8 Ų | 164.8 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | -67.8 | 118 | 170.9 | -113 | -101.2 | 0 | 0 | 0 | 107.4 | A6 E10 | A6-F8 PolarHBondContact O-N 2.83Å; F8-E10 PolarHBondContact O-N 2.9Å | ||
| 9 | H | 44.4 | Very low | 48.1 | Very low | 175 Ų | 175 | 165.1 Ų | 165.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -55.2 | 125.1 | 171.4 | -139.7 | -141.2 | 0 | 0 | 0 | 107.7 | R7 V11 | R7-H9 PolarHBondContact O-N 3.14Å; H9-V11 WeakPolarHBondContact O-CG2 3.48Å; H9-V11 PolarHBondContact O-N 3.14Å | ||
| 10 | E | 49.5 | Very low | 48.1 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -58.2 | 102.2 | 173.5 | -166.9 | -173.3 | 113.1 | 0 | 0 | 108 | F8 | F8-E10 PolarHBondContact O-N 2.9Š| ||
| 11 | V | 55.9 | Low | 48.3 | Very low | 109 Ų | 109 | 158.2 Ų | 158.2 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | -76 | 123.7 | 175.3 | -176 | 0 | 0 | 0 | 0 | 106.4 | H9 H13 | H9-V11 WeakPolarHBondContact O-CG2 3.48Å; H9-V11 PolarHBondContact O-N 3.14Å; V11-H13 PolarHBondContact O-N 3.31Å; V11-H13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | P | 52.3 | Low | 48.3 | Very low | 97 Ų | 97 | 157.1 Ų | 157.1 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | -61 | 122.2 | 174.2 | 23.9 | -31.2 | 0 | 0 | 0 | 108.8 | I14 | P12-I14 VanDerWaalsContact C-N 3.3Å; P12-I14 PolarHBondContact O-N 3.39Å | ||
| 13 | H | 44.6 | Very low | 48.3 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -65.3 | 89.5 | 171.1 | -101.4 | -131 | 0 | 0 | 0 | 109.1 | V11 T15 | V11-H13 PolarHBondContact O-N 3.31Å; V11-H13 VanDerWaalsContact O-N 3.14Å; H13-T15 PolarHBondContact O-N 3.28Å; H13-T15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | I | 55.8 | Low | 47.9 | Very low | 139 Ų | 139 | 157 Ų | 157 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -72 | 104.4 | 167.6 | -59.2 | 170.7 | 0 | 0 | 0 | 106.7 | P12 V16 | P12-I14 VanDerWaalsContact C-N 3.3Å; P12-I14 PolarHBondContact O-N 3.39Å; I14-V16 HydrophobicContact CG2-CG2 3.6Å; I14-V16 PolarHBondContact O-N 3.11Å; I14-V16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | T | 55.7 | Low | 48 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 92.3 | 172.9 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | H13 | H13-T15 PolarHBondContact O-N 3.28Å; H13-T15 VanDerWaalsContact O-N 3.14Å | ||
| 16 | V | 56.1 | Low | 47.9 | Very low | 86 Ų | 86 | 153.7 Ų | 153.7 | 52% | 0.521 | 79% | 0.785 | S | S | . | * | trans | -83.7 | 113.7 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | I14 F18 | I14-V16 HydrophobicContact CG2-CG2 3.6Å; I14-V16 PolarHBondContact O-N 3.11Å; I14-V16 VanDerWaalsContact O-N 3.11Å; V16-F18 HydrophobicContact CB-CD2 4.11Å; V16-F18 HydrophobicContact CB-CE2 3.72Å; V16-F18 HydrophobicContact CG1-CD2 3.67Å; V16-F18 HydrophobicContact CG1-CE1 4.47Å; V16-F18 HydrophobicContact CG1-CE2 3.34Å; V16-F18 HydrophobicContact CG1-CG 4.37Å; V16-F18 HydrophobicContact CG1-CZ 3.79Å; V16-F18 PolarHBondContact O-N 2.85Å | ||
| 17 | R | 53.5 | Low | 47.9 | Very low | 239 Ų | 239 | 159.5 Ų | 159.5 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -78 | 110 | 166.3 | -76.8 | -178.3 | 174.4 | 147.1 | -1.3 | 108.8 | ||||
| 18 | F | 46 | Very low | 47.8 | Very low | 183 Ų | 183 | 155 Ų | 155 | 80% | 0.803 | 79% | 0.786 | S | S | * | * | trans | -89.7 | 117.1 | 170 | -77.1 | -90.2 | 0 | 0 | 0 | 109.8 | V16 | V16-F18 HydrophobicContact CB-CD2 4.11Å; V16-F18 HydrophobicContact CB-CE2 3.72Å; V16-F18 HydrophobicContact CG1-CD2 3.67Å; V16-F18 HydrophobicContact CG1-CE1 4.47Å; V16-F18 HydrophobicContact CG1-CE2 3.34Å; V16-F18 HydrophobicContact CG1-CG 4.37Å; V16-F18 HydrophobicContact CG1-CZ 3.79Å; V16-F18 PolarHBondContact O-N 2.85Å | ||
| 19 | I | 56 | Low | 47.7 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -100.7 | 108.2 | 158.1 | -60.5 | 172.4 | 0 | 0 | 0 | 105.6 | ||||
| 20 | G | 48.4 | Very low | 47.9 | Very low | 61 Ų | 61 | 153.9 Ų | 153.9 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | -77.5 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 21 | P | 52.3 | Low | 47.9 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -104.2 | 159.6 | -136.4 | 37.8 | -33.1 | 0 | 0 | 0 | 114.1 | ||||
| 22 | K | 40.2 | Very low | 47.1 | Very low | 218 Ų | 218 | 154 Ų | 154 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -131.7 | 132.6 | 149.6 | -80.6 | -148.8 | 164.1 | 82 | 0 | 111.6 | ||||
| 23 | H | 39.6 | Very low | 46.5 | Very low | 183 Ų | 183 | 159.9 Ų | 159.9 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -79.7 | 151.1 | -162.5 | -169.9 | -94.7 | 0 | 0 | 0 | 112.8 | ||||
| 24 | G | 36.5 | Very low | 46.8 | Very low | 75 Ų | 75 | 157.9 Ų | 157.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 171.3 | 66.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | E26 | G24-E26 PolarHBondContact O-N 3.12Š| ||
| 25 | E | 45.4 | Very low | 46.5 | Very low | 170 Ų | 170 | 160.8 Ų | 160.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | -75.8 | 114 | 171.4 | -167.2 | -178.7 | 146.4 | 0 | 0 | 109 | ||||
| 26 | E | 37.4 | Very low | 45.8 | Very low | 192 Ų | 192 | 163.8 Ų | 163.8 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -150.1 | 118.2 | 153.6 | -112.1 | 178 | 175.7 | 0 | 0 | 109 | G24 | G24-E26 PolarHBondContact O-N 3.12Š| ||
| 27 | K | 46.9 | Very low | 45.4 | Very low | 199 Ų | 199 | 169.3 Ų | 169.3 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -58.1 | 131.1 | 172.1 | -78 | 167.6 | 166.6 | 167.5 | 0 | 110.9 | ||||
| 28 | E | 43 | Very low | 45 | Very low | 151 Ų | 151 | 167.7 Ų | 167.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | -175 | 135.9 | 127.6 | -127.4 | -177.3 | 120.7 | 0 | 0 | 113 | |||||
| 29 | K | 41.8 | Very low | 45.5 | Very low | 159 Ų | 159 | 168 Ų | 168 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 52.9 | 111.1 | 151.1 | -80.8 | 170.4 | -179 | 144.6 | 0 | 118.7 | ||||
| 30 | E | 49.5 | Very low | 44.6 | Very low | 178 Ų | 178 | 167.1 Ų | 167.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | 49.1 | 79.2 | 84.3 | -164.1 | -166.5 | 168.4 | 0 | 0 | 112.6 | |||||
| 31 | K | 47.9 | Very low | 44.7 | Very low | 186 Ų | 186 | 170 Ų | 170 | 81% | 0.809 | 83% | 0.826 | S | S | * | * | trans | 179.7 | 143.8 | 142.6 | -109.5 | 172.2 | 173.2 | -177.7 | 0 | 112 | ||||
| 32 | D | 40.7 | Very low | 44.4 | Very low | 113 Ų | 113 | 173.2 Ų | 173.2 | 60% | 0.604 | 83% | 0.827 | S | S | * | * | trans | 75.6 | 51.5 | 153.2 | -77 | -77.4 | 0 | 0 | 0 | 119.7 | I34 | D32-I34 PolarHBondContact O-N 3.49Š| ||
| 33 | K | 39.9 | Very low | 44.5 | Very low | 219 Ų | 219 | 169.7 Ų | 169.7 | 95% | 0.952 | 82% | 0.818 | S | S | * | * | trans | -86.3 | 37.7 | 148.7 | -109.2 | -175.4 | -176.5 | -175.3 | 0 | 112 | ||||
| 34 | I | 49.1 | Very low | 44.8 | Very low | 143 Ų | 143 | 169.5 Ų | 169.5 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | trans | -104.2 | 69.8 | 175.5 | -50.2 | 169.6 | 0 | 0 | 0 | 107.3 | D32 | D32-I34 PolarHBondContact O-N 3.49Š| ||
| 35 | K | 49.8 | Very low | 45.2 | Very low | 199 Ų | 199 | 175.2 Ų | 175.2 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | -155 | 15.6 | 175.7 | -128.4 | 175.8 | -176.4 | 178.5 | 0 | 118.9 | ||||
| 36 | E | 42.4 | Very low | 45.6 | Very low | 191 Ų | 191 | 175.9 Ų | 175.9 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -148.4 | 87.9 | 174 | -115.2 | -164.3 | 138.6 | 0 | 0 | 113.3 | ||
| 37 | K | 46.9 | Very low | 46 | Very low | 202 Ų | 202 | 172.8 Ų | 172.8 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | 170.9 | 59.3 | 129.5 | -98.6 | -174.8 | 172.4 | 177.7 | 0 | 110.2 | K39 | K37-K39 PolarHBondContact O-N 3.38Å; K37-K39 VanDerWaalsContact O-N 3.12Å | |||
| 38 | E | 45.2 | Very low | 46.4 | Very low | 205 Ų | 205 | 172.7 Ų | 172.7 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -78.7 | 69.4 | 159.1 | -163.2 | -173.9 | 173.4 | 0 | 0 | 108.1 | ||||
| 39 | K | 56.6 | Low | 46.9 | Very low | 191 Ų | 191 | 173.5 Ų | 173.5 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -163.4 | 84.1 | 170.1 | -153.1 | 176.2 | -175.3 | -179.8 | 0 | 112.3 | K37 | K37-K39 PolarHBondContact O-N 3.38Å; K37-K39 VanDerWaalsContact O-N 3.12Å | ||
| 40 | D | 37.4 | Very low | 47.8 | Very low | 150 Ų | 150 | 170.5 Ų | 170.5 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -164.4 | 78.4 | 131.8 | -155.2 | -116.2 | 0 | 0 | 0 | 109.2 | ||||
| 41 | S | 49.2 | Very low | 48.5 | Very low | 123 Ų | 123 | 165.2 Ų | 165.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -78.8 | 114.3 | 159.5 | -56.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 42 | K | 47.2 | Very low | 49.3 | Very low | 190 Ų | 190 | 160.9 Ų | 160.9 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 138.2 | 83.9 | 151 | -173.1 | 169.7 | -177.3 | 174.8 | 0 | 112.7 | ||||
| 43 | D | 41 | Very low | 51.1 | Low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | S | Bend | -175.4 | 147.6 | 128.5 | -157.8 | -116.5 | 0 | 0 | 0 | 110.6 | |||
| 44 | K | 46.3 | Very low | 53.2 | Low | 179 Ų | 179 | 146.9 Ų | 146.9 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | trans | 84.5 | 58.4 | 179.4 | -57.8 | -171.4 | 176.1 | 173.6 | 0 | 117.6 | K46 | K44-K46 PolarHBondContact O-N 2.91Š| ||
| 45 | E | 46.4 | Very low | 55 | Low | 196 Ų | 196 | 142.5 Ų | 142.5 | 92% | 0.916 | 70% | 0.696 | S | S | * | * | trans | -61.6 | 36.6 | 152.2 | -161.4 | -166 | 127.2 | 0 | 0 | 113.6 | ||||
| 46 | K | 52.7 | Low | 56.9 | Low | 184 Ų | 184 | 135 Ų | 135 | 80% | 0.8 | 66% | 0.663 | S | S | * | * | trans | -143.7 | 58 | -171.6 | -149 | -175.8 | -173.9 | -171.8 | 0 | 113.7 | K44 | K44-K46 PolarHBondContact O-N 2.91Š| ||
| 47 | D | 46 | Very low | 59.1 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | trans | -163.7 | 64.1 | 146 | -129.5 | -96.2 | 0 | 0 | 0 | 110.8 | K49 | D47-K49 PolarHBondContact O-N 3.45Š| ||
| 48 | K | 54.3 | Low | 61.1 | Low | 197 Ų | 197 | 122.5 Ų | 122.5 | 86% | 0.857 | 62% | 0.623 | S | S | * | * | trans | -73.8 | 46.6 | 170.4 | -90.7 | -174 | 177.3 | -178.8 | 0 | 111.7 | T50 | K48-T50 PolarHBondContact O-N 2.76Š| ||
| 49 | K | 54.5 | Low | 63.1 | Low | 168 Ų | 168 | 116 Ų | 116 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | trans | -87.8 | 86.5 | 161.1 | -70.2 | -159.8 | -175.9 | -173.2 | 0 | 107.3 | D47 V51 | D47-K49 PolarHBondContact O-N 3.45Å; K49-V51 PolarHBondContact O-N 3.41Å | ||
| 50 | T | 60.6 | Low | 64.6 | Low | 96 Ų | 96 | 110.9 Ų | 110.9 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | trans | -58.5 | 106.5 | 167 | 38.7 | 0 | 0 | 0 | 0 | 108.4 | K48 | K48-T50 PolarHBondContact O-N 2.76Š| ||
| 51 | V | 65.2 | Low | 66.8 | Low | 66 Ų | 66 | 105 Ų | 105 | 40% | 0.4 | 55% | 0.549 | S | S | . | . | B | Isolated β-bridge | trans | -95 | 114.1 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 106.8 | K49 G53 H54 | K49-V51 PolarHBondContact O-N 3.41Å; V51-G53 PolarHBondContact O-N 2.92Å; V51-H54 PolarHBondContact N-O 3.33Å; V51-H54 WeakPolarHBondContact O-CB 3.37Å; V51-H54 PolarHBondContact O-N 2.8Å |
| 52 | N | 64.1 | Low | 68.1 | Low | 95 Ų | 95 | 105.2 Ų | 105.2 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 30.7 | 173.6 | -151.8 | 7 | 0 | 0 | 0 | 114.2 | H54 S99 C100 | N52-H54 VanDerWaalsContact C-N 3.33Å; N52-H54 PolarHBondContact O-N 3.31Å; N52-S99 VanDerWaalsContact CG-CA 3.41Å; N52-S99 VanDerWaalsContact CG-CB 3.43Å; N52-S99 WeakPolarHBondContact ND2-CA 3.34Å; N52-S99 PolarHBondContact ND2-N 3.3Å; N52-S99 VanDerWaalsContact ND2-N 3.16Å; N52-S99 WeakPolarHBondContact O-CA 3.48Å; N52-S99 WeakPolarHBondContact OD1-CB 3.36Å; N52-C100 PolarHBondContact O-N 2.98Å |
| 53 | G | 77.8 | Confident | 69.6 | Low | 31 Ų | 31 | 98.5 Ų | 98.5 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 0.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V51 C100 V103 | V51-G53 PolarHBondContact O-N 2.92Å; G53-C100 WeakPolarHBondContact O-CB 3.25Å; G53-V103 WeakPolarHBondContact O-CG2 3.05Å |
| 54 | H | 85.1 | Confident | 71.5 | Confident | 7 Ų | 7 | 98.4 Ų | 98.4 | 3% | 0.032 | 54% | 0.537 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 140.2 | 173.2 | -64.9 | -84.1 | 0 | 0 | 0 | 111.5 | V51 N52 F56 C82 C85 A98 C100 | V51-H54 PolarHBondContact N-O 3.33Å; V51-H54 WeakPolarHBondContact O-CB 3.37Å; V51-H54 PolarHBondContact O-N 2.8Å; N52-H54 VanDerWaalsContact C-N 3.33Å; N52-H54 PolarHBondContact O-N 3.31Å; H54-F56 HydrophobicContact CB-CD2 3.94Å; H54-F56 HydrophobicContact CB-CE1 4.22Å; H54-F56 HydrophobicContact CB-CE2 3.28Å; H54-F56 HydrophobicContact CB-CZ 3.41Å; H54-F56 VanDerWaalsContact CB-CZ 3.41Å; H54-F56 AromaticContact CG-CE2 3.92Å; H54-F56 AromaticContact CG-CZ 3.6Å; H54-F56 AromaticContact ND1-CZ 3.97Å; H54-C82 PolarHBondContact ND1-SG 3.2Å; H54-C85 VanDerWaalsContact CE1-SG 3.58Å; H54-C85 PolarHBondContact ND1-SG 3.3Å; H54-A98 PolarHBondContact NE2-O 2.88Å; H54-C100 HydrophobicContact CB-CB 4.49Å; H54-C100 WeakPolarHBondContact CE1-CA 3.35Å; H54-C100 WeakPolarHBondContact CE1-CB 3.34Å; H54-C100 WeakPolarHBondContact ND1-CB 3.34Å; H54-C100 PolarHBondContact ND1-SG 2.88Å; H54-C100 VanDerWaalsContact NE2-CA 3.34Å; H54-C100 WeakPolarHBondContact NE2-CA 3.48Å; H54-C100 PolarHBondContact NE2-N 2.97Å; H54-C100 VanDerWaalsContact NE2-N 3.16Å |
| 55 | T | 86.9 | Confident | 73.4 | Confident | 52 Ų | 52 | 91.8 Ų | 91.8 | 32% | 0.319 | 51% | 0.509 | S | S | . | . | trans | -113.8 | 98.3 | 170.3 | -49.3 | 0 | 0 | 0 | 0 | 107.6 | C82 A83 N84 | T55-C82 CarbonylContact O-C 3.53Å; T55-C82 WeakPolarHBondContact O-CA 3.36Å; T55-A83 PolarHBondContact O-N 3.29Å; T55-N84 PolarHBondContact OG1-OD1 3.17Å | ||
| 56 | F | 88.1 | Confident | 75.5 | Confident | 40 Ų | 40 | 85.2 Ų | 85.2 | 18% | 0.175 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.8 | -178.2 | -64.1 | -75.6 | 0 | 0 | 0 | 111.9 | H54 Y80 T81 C82 V89 R94 L97 | H54-F56 HydrophobicContact CB-CD2 3.94Å; H54-F56 HydrophobicContact CB-CE1 4.22Å; H54-F56 HydrophobicContact CB-CE2 3.28Å; H54-F56 HydrophobicContact CB-CZ 3.41Å; H54-F56 VanDerWaalsContact CB-CZ 3.41Å; H54-F56 AromaticContact CG-CE2 3.92Å; H54-F56 AromaticContact CG-CZ 3.6Å; H54-F56 AromaticContact ND1-CZ 3.97Å; F56-Y80 HydrophobicContact CB-CD1 4.22Å; F56-T81 CarbonylContact C-O 3.46Å; F56-T81 VanDerWaalsContact CA-O 3.23Å; F56-T81 WeakPolarHBondContact CA-O 3.34Å; F56-C82 HydrophobicContact CD1-CB 3.87Å; F56-C82 HydrophobicContact CE1-CB 3.68Å; F56-C82 HydrophobicContact CZ-CB 4.46Å; F56-V89 HydrophobicContact CD1-CG2 4.02Å; F56-V89 HydrophobicContact CE1-CG2 3.64Å; F56-V89 HydrophobicContact CZ-CG2 4.36Å; F56-R94 HydrophobicContact CD2-CB 4.19Å; F56-R94 HydrophobicContact CE2-CB 4.05Å; F56-R94 HydrophobicContact CZ-CB 4.36Å; F56-L97 HydrophobicContact CE1-CD1 3.54Å; F56-L97 HydrophobicContact CE2-CD1 4.48Å; F56-L97 HydrophobicContact CZ-CD1 3.3Å |
| 57 | S | 89.1 | Confident | 77.3 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.2 | 168.5 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | Y80 T81 | S57-Y80 CarbonylContact O-C 3.6Å; S57-Y80 WeakPolarHBondContact O-CA 3.34Å; S57-T81 PolarHBondContact N-O 2.82Å; S57-T81 PolarHBondContact O-N 3.2Å |
| 58 | S | 89.4 | Confident | 79.4 | Confident | 63 Ų | 63 | 73.6 Ų | 73.6 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129.3 | 174.7 | -167.6 | 0 | 0 | 0 | 0 | 109.3 | A79 | S58-A79 CarbonylContact C-O 3.56Å; S58-A79 WeakPolarHBondContact CA-O 3.13Å |
| 59 | I | 88.3 | Confident | 81 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 35% | 0.349 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.5 | 179.4 | -58.7 | -168.6 | 0 | 0 | 0 | 108.8 | V61 A79 T81 | I59-V61 PolarHBondContact O-N 2.85Å; I59-A79 PolarHBondContact N-O 2.87Å; I59-A79 PolarHBondContact O-N 2.81Å; I59-A79 VanDerWaalsContact O-O 3.11Å; I59-T81 HydrophobicContact CD1-CG2 3.18Å; I59-T81 HydrophobicContact CG1-CG2 3.86Å |
| 60 | P | 87.4 | Confident | 82.7 | Confident | 84 Ų | 84 | 62 Ų | 62 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 131.6 | 170.6 | 27.1 | -35 | 0 | 0 | 0 | 111 | V62 K77 | P60-V62 PolarHBondContact O-N 2.84Å; P60-K77 CarbonylContact C-O 3.5Å; P60-K77 VanDerWaalsContact CA-O 3.25Å; P60-K77 WeakPolarHBondContact CA-O 3.23Å |
| 61 | V | 84.1 | Confident | 84.1 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | trans | -76.2 | 116.9 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | I59 G63 I65 F74 K77 A79 | I59-V61 PolarHBondContact O-N 2.85Å; V61-G63 WeakPolarHBondContact CG1-O 3.35Å; V61-I65 HydrophobicContact CG1-CB 4.05Å; V61-I65 HydrophobicContact CG1-CD1 3.97Å; V61-I65 HydrophobicContact CG1-CG1 3.98Å; V61-F74 HydrophobicContact CG1-CB 4.18Å; V61-F74 HydrophobicContact CG2-CB 3.94Å; V61-F74 HydrophobicContact CG2-CD1 4.41Å; V61-F74 HydrophobicContact CG2-CD2 4.46Å; V61-F74 HydrophobicContact CG2-CG 4.03Å; V61-K77 PolarHBondContact N-O 2.82Å; V61-A79 HydrophobicContact CG2-CB 3.3Å | ||
| 62 | V | 76.7 | Confident | 85.3 | Confident | 128 Ų | 128 | 67.6 Ų | 67.6 | 78% | 0.776 | 41% | 0.408 | S | S | * | . | trans | -116.6 | 100.1 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | P60 | P60-V62 PolarHBondContact O-N 2.84Š| ||
| 63 | G | 77.2 | Confident | 86.4 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 103.2 | -179.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V61 I65 | V61-G63 WeakPolarHBondContact CG1-O 3.35Å; G63-I65 PolarHBondContact O-N 2.96Å |
| 64 | P | 80.6 | Confident | 86.8 | Confident | 142 Ų | 142 | 66.6 Ų | 66.6 | 92% | 0.922 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -75.4 | 84.8 | -176.5 | 31 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 65 | I | 86.6 | Confident | 86.7 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 21% | 0.205 | 44% | 0.438 | C | S | . | . | trans | -96.8 | 143.1 | 174 | -52 | -176.8 | 0 | 0 | 0 | 108.8 | V61 G63 P73 F74 F88 | V61-I65 HydrophobicContact CG1-CB 4.05Å; V61-I65 HydrophobicContact CG1-CD1 3.97Å; V61-I65 HydrophobicContact CG1-CG1 3.98Å; G63-I65 PolarHBondContact O-N 2.96Å; I65-P73 WeakPolarHBondContact O-CA 3.49Å; I65-F74 HydrophobicContact CB-CD2 3.94Å; I65-F74 HydrophobicContact CB-CE2 4.42Å; I65-F74 HydrophobicContact CG2-CD2 3.83Å; I65-F74 HydrophobicContact CG2-CE2 3.8Å; I65-F74 WeakPolarHBondContact O-CD2 3.31Å; I65-F74 PolarHBondContact O-N 3.48Å; I65-F88 HydrophobicContact CG2-CB 3.99Å; I65-F88 HydrophobicContact CG2-CD1 4.45Å; I65-F88 HydrophobicContact CG2-CD2 4.05Å; I65-F88 HydrophobicContact CG2-CG 3.91Å | ||
| 66 | S | 90.9 | Very high | 86.2 | Confident | 58 Ų | 58 | 74.8 Ų | 74.8 | 41% | 0.406 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -115.3 | 147.9 | 173.5 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | K72 F74 | S66-K72 WeakPolarHBondContact CA-O 3.47Å; S66-F74 VanDerWaalsContact C-CE2 3.5Å |
| 67 | C | 91.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 47% | 0.469 | C | S | . | . | trans | -72.9 | 128.9 | 178.4 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | Q69 C70 M71 K72 F74 H90 C93 | C67-Q69 PolarHBondContact O-N 3.34Å; C67-Q69 VanDerWaalsContact O-N 3.11Å; C67-Q69 PolarHBondContact SG-N 3.17Å; C67-C70 VanDerWaalsContact CB-SG 3.56Å; C67-M71 WeakPolarHBondContact O-CA 3.44Å; C67-M71 PolarHBondContact O-N 3.24Å; C67-K72 PolarHBondContact N-O 3.48Å; C67-F74 HydrophobicContact CB-CE2 4.16Å; C67-F74 HydrophobicContact CB-CZ 3.94Å; C67-H90 WeakPolarHBondContact CB-CE1 3.31Å; C67-H90 WeakPolarHBondContact CB-ND1 3.42Å; C67-C93 VanDerWaalsContact SG-SG 3.66Å | ||
| 68 | S | 89.4 | Confident | 85.7 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.1 | -179.1 | -178.6 | 0 | 0 | 0 | 0 | 114.6 | F88 | S68-F88 PolarHBondContact N-O 3.48Š|
| 69 | Q | 88.4 | Confident | 85.7 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -46.1 | -179.1 | -77.8 | -58 | -41.2 | 0 | 0 | 113.5 | C67 V89 C93 L97 | C67-Q69 PolarHBondContact O-N 3.34Å; C67-Q69 VanDerWaalsContact O-N 3.11Å; C67-Q69 PolarHBondContact SG-N 3.17Å; Q69-V89 HydrophobicContact CG-CG1 4.06Å; Q69-C93 HydrophobicContact CB-CB 3.85Å; Q69-C93 HydrophobicContact CG-CB 4.15Å; Q69-L97 HydrophobicContact CG-CD2 3.58Å; Q69-L97 HydrophobicContact CG-CG 3.57Å |
| 70 | C | 90.3 | Very high | 85.9 | Confident | 46 Ų | 46 | 76.3 Ų | 76.3 | 31% | 0.311 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -1 | -177.1 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | C67 K72 H90 | C67-C70 VanDerWaalsContact CB-SG 3.56Å; C70-K72 HydrophobicContact CB-CD 4.45Å; C70-K72 PolarHBondContact O-N 2.76Å; C70-H90 PolarHBondContact SG-CE1 3.16Å; C70-H90 PolarHBondContact SG-ND1 3.47Å |
| 71 | M | 89.6 | Confident | 86 | Confident | 141 Ų | 141 | 73.2 Ų | 73.2 | 70% | 0.695 | 42% | 0.416 | S | S | * | . | trans | 56.1 | 5.6 | -177.3 | -64.2 | -67 | -69.7 | 0 | 0 | 114.9 | C67 | C67-M71 WeakPolarHBondContact O-CA 3.44Å; C67-M71 PolarHBondContact O-N 3.24Å | ||
| 72 | K | 89.8 | Confident | 86.2 | Confident | 139 Ų | 139 | 72 Ų | 72 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | trans | -78.3 | 140.7 | 177.8 | -69.5 | 171.1 | -173.4 | -81.7 | 0 | 109.9 | S66 C67 C70 | S66-K72 WeakPolarHBondContact CA-O 3.47Å; C67-K72 PolarHBondContact N-O 3.48Å; C70-K72 HydrophobicContact CB-CD 4.45Å; C70-K72 PolarHBondContact O-N 2.76Å | ||
| 73 | P | 87.5 | Confident | 86.6 | Confident | 84 Ų | 84 | 69.8 Ų | 69.8 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -62.1 | 149 | 172.5 | 28.1 | -34.3 | 0 | 0 | 0 | 110.5 | I65 T75 | I65-P73 WeakPolarHBondContact O-CA 3.49Å; P73-T75 PolarHBondContact O-N 3.02Å |
| 74 | F | 85.8 | Confident | 86.9 | Confident | 20 Ų | 20 | 70 Ų | 70 | 9% | 0.088 | 39% | 0.394 | C | S | . | . | trans | -70.8 | 111.5 | 171.1 | -70.6 | -87.7 | 0 | 0 | 0 | 108.9 | V61 I65 S66 C67 N76 A79 F88 V89 H90 | V61-F74 HydrophobicContact CG1-CB 4.18Å; V61-F74 HydrophobicContact CG2-CB 3.94Å; V61-F74 HydrophobicContact CG2-CD1 4.41Å; V61-F74 HydrophobicContact CG2-CD2 4.46Å; V61-F74 HydrophobicContact CG2-CG 4.03Å; I65-F74 HydrophobicContact CB-CD2 3.94Å; I65-F74 HydrophobicContact CB-CE2 4.42Å; I65-F74 HydrophobicContact CG2-CD2 3.83Å; I65-F74 HydrophobicContact CG2-CE2 3.8Å; I65-F74 WeakPolarHBondContact O-CD2 3.31Å; I65-F74 PolarHBondContact O-N 3.48Å; S66-F74 VanDerWaalsContact C-CE2 3.5Å; C67-F74 HydrophobicContact CB-CE2 4.16Å; C67-F74 HydrophobicContact CB-CZ 3.94Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-A79 HydrophobicContact CD1-CB 3.66Å; F74-A79 HydrophobicContact CD2-CB 4.29Å; F74-A79 HydrophobicContact CE1-CB 3.41Å; F74-A79 VanDerWaalsContact CE1-CB 3.41Å; F74-A79 HydrophobicContact CE2-CB 4.09Å; F74-A79 HydrophobicContact CG-CB 4.11Å; F74-A79 HydrophobicContact CZ-CB 3.66Å; F74-F88 HydrophobicContact CE2-CB 3.86Å; F74-F88 HydrophobicContact CZ-CB 4.02Å; F74-V89 VanDerWaalsContact CE1-C 3.45Å; F74-V89 WeakPolarHBondContact CE1-O 3.33Å; F74-V89 VanDerWaalsContact CZ-C 3.46Å; F74-H90 AromaticContact CD1-CD2 3.3Å; F74-H90 WeakPolarHBondContact CD1-CD2 3.3Å; F74-H90 AromaticContact CD1-NE2 3.44Å; F74-H90 WeakPolarHBondContact CD1-NE2 3.08Å; F74-H90 AromaticContact CE1-CD2 3.31Å; F74-H90 WeakPolarHBondContact CE1-CD2 3.34Å; F74-H90 AromaticContact CE1-CG 3.92Å; F74-H90 AromaticContact CE1-NE2 3.71Å; F74-H90 AromaticContact CG-NE2 3.97Å | ||
| 75 | T | 84.1 | Confident | 87.1 | Confident | 140 Ų | 140 | 64.4 Ų | 64.4 | 86% | 0.859 | 36% | 0.357 | S | S | * | . | trans | -81.6 | -16.9 | 169.9 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | P73 | P73-T75 PolarHBondContact O-N 3.02Š| ||
| 76 | N | 76.4 | Confident | 87 | Confident | 91 Ų | 91 | 66 Ų | 66 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -92.9 | 152.9 | 177.4 | -152.1 | -78.7 | 0 | 0 | 0 | 110.5 | F74 D78 | F74-N76 VanDerWaalsContact C-N 3.29Å; N76-D78 PolarHBondContact O-N 2.9Å; N76-D78 PolarHBondContact OD1-N 3.11Å |
| 77 | K | 81.1 | Confident | 86.9 | Confident | 151 Ų | 151 | 64.1 Ų | 64.1 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71 | -12.1 | 176.7 | 57.9 | 171.9 | -177.1 | -73.3 | 0 | 113.4 | P60 V61 | P60-K77 CarbonylContact C-O 3.5Å; P60-K77 VanDerWaalsContact CA-O 3.25Å; P60-K77 WeakPolarHBondContact CA-O 3.23Å; V61-K77 PolarHBondContact N-O 2.82Å |
| 78 | D | 85 | Confident | 86.8 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133 | -178 | -59.3 | -51.2 | 0 | 0 | 0 | 111.8 | N76 | N76-D78 PolarHBondContact O-N 2.9Å; N76-D78 PolarHBondContact OD1-N 3.11Å |
| 79 | A | 90.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 156.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S58 I59 V61 F74 | S58-A79 CarbonylContact C-O 3.56Å; S58-A79 WeakPolarHBondContact CA-O 3.13Å; I59-A79 PolarHBondContact N-O 2.87Å; I59-A79 PolarHBondContact O-N 2.81Å; I59-A79 VanDerWaalsContact O-O 3.11Å; V61-A79 HydrophobicContact CG2-CB 3.3Å; F74-A79 HydrophobicContact CD1-CB 3.66Å; F74-A79 HydrophobicContact CD2-CB 4.29Å; F74-A79 HydrophobicContact CE1-CB 3.41Å; F74-A79 VanDerWaalsContact CE1-CB 3.41Å; F74-A79 HydrophobicContact CE2-CB 4.09Å; F74-A79 HydrophobicContact CG-CB 4.11Å; F74-A79 HydrophobicContact CZ-CB 3.66Å |
| 80 | Y | 90.5 | Very high | 87.1 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.8 | 172.8 | -69.6 | -92.1 | 0 | 0 | 0 | 109.6 | F56 S57 F88 V89 K91 | F56-Y80 HydrophobicContact CB-CD1 4.22Å; S57-Y80 CarbonylContact O-C 3.6Å; S57-Y80 WeakPolarHBondContact O-CA 3.34Å; Y80-F88 CarbonylContact O-C 3.51Å; Y80-F88 VanDerWaalsContact O-CA 3.31Å; Y80-F88 WeakPolarHBondContact O-CA 3.42Å; Y80-V89 WeakPolarHBondContact CB-O 3.39Å; Y80-V89 PolarHBondContact N-O 2.86Å; Y80-V89 PolarHBondContact O-N 3.3Å; Y80-K91 HydrophobicContact CD2-CB 4.31Å; Y80-K91 HydrophobicContact CE2-CB 3.66Å; Y80-K91 HydrophobicContact CE2-CD 4.42Å; Y80-K91 HydrophobicContact CE2-CG 3.89Å |
| 81 | T | 90.1 | Very high | 87 | Confident | 18 Ų | 18 | 67.2 Ų | 67.2 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.1 | 170 | -161.2 | 0 | 0 | 0 | 0 | 110.5 | F56 S57 I59 A87 | F56-T81 CarbonylContact C-O 3.46Å; F56-T81 VanDerWaalsContact CA-O 3.23Å; F56-T81 WeakPolarHBondContact CA-O 3.34Å; S57-T81 PolarHBondContact N-O 2.82Å; S57-T81 PolarHBondContact O-N 3.2Å; I59-T81 HydrophobicContact CD1-CG2 3.18Å; I59-T81 HydrophobicContact CG1-CG2 3.86Å; T81-A87 WeakPolarHBondContact CA-O 3.36Å |
| 82 | C | 88.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 126.4 | 169.6 | 178.7 | 0 | 0 | 0 | 0 | 111 | H54 T55 F56 N84 C85 S86 A87 | H54-C82 PolarHBondContact ND1-SG 3.2Å; T55-C82 CarbonylContact O-C 3.53Å; T55-C82 WeakPolarHBondContact O-CA 3.36Å; F56-C82 HydrophobicContact CD1-CB 3.87Å; F56-C82 HydrophobicContact CE1-CB 3.68Å; F56-C82 HydrophobicContact CZ-CB 4.46Å; C82-N84 PolarHBondContact O-N 3.24Å; C82-N84 PolarHBondContact SG-N 2.97Å; C82-C85 WeakPolarHBondContact CB-SG 3.29Å; C82-C85 PolarHBondContact SG-N 3.41Å; C82-S86 WeakPolarHBondContact O-CA 3.33Å; C82-S86 PolarHBondContact O-N 2.91Å; C82-A87 PolarHBondContact N-O 3.48Å |
| 83 | A | 85.3 | Confident | 86.8 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 67% | 0.669 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T55 | T55-A83 PolarHBondContact O-N 3.29Š|
| 84 | N | 83.1 | Confident | 86.7 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -42.4 | -176 | -66.3 | 60.5 | 0 | 0 | 0 | 112.6 | T55 C82 C100 K102 V103 | T55-N84 PolarHBondContact OG1-OD1 3.17Å; C82-N84 PolarHBondContact O-N 3.24Å; C82-N84 PolarHBondContact SG-N 2.97Å; N84-C100 WeakPolarHBondContact CB-SG 3.21Å; N84-K102 WeakPolarHBondContact O-CB 3.48Å; N84-K102 WeakPolarHBondContact O-CD 3.48Å; N84-V103 HydrophobicContact CB-CG2 4.19Å; N84-V103 WeakPolarHBondContact ND2-CG1 3.37Å |
| 85 | C | 85 | Confident | 86.5 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -4.4 | -178.5 | 65.5 | 0 | 0 | 0 | 0 | 115.1 | H54 C82 A87 K102 | H54-C85 VanDerWaalsContact CE1-SG 3.58Å; H54-C85 PolarHBondContact ND1-SG 3.3Å; C82-C85 WeakPolarHBondContact CB-SG 3.29Å; C82-C85 PolarHBondContact SG-N 3.41Å; C85-A87 PolarHBondContact O-N 3.17Å; C85-A87 VanDerWaalsContact O-N 3.17Å; C85-A87 VanDerWaalsContact SG-CB 3.55Å; C85-K102 HydrophobicContact CB-CD 4.46Å; C85-K102 HydrophobicContact CB-CG 4.28Å; C85-K102 PolarHBondContact O-NZ 3.27Å |
| 86 | S | 85.7 | Confident | 86.4 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | trans | 53.8 | 23.3 | -175.4 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | C82 | C82-S86 WeakPolarHBondContact O-CA 3.33Å; C82-S86 PolarHBondContact O-N 2.91Å | ||
| 87 | A | 88.3 | Confident | 86.6 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | trans | -80.8 | 137.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T81 C82 C85 | T81-A87 WeakPolarHBondContact CA-O 3.36Å; C82-A87 PolarHBondContact N-O 3.48Å; C85-A87 PolarHBondContact O-N 3.17Å; C85-A87 VanDerWaalsContact O-N 3.17Å; C85-A87 VanDerWaalsContact SG-CB 3.55Å | ||
| 88 | F | 90 | Very high | 86.6 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.2 | 174.9 | -59.6 | -83.6 | 0 | 0 | 0 | 110.6 | I65 S68 F74 Y80 | I65-F88 HydrophobicContact CG2-CB 3.99Å; I65-F88 HydrophobicContact CG2-CD1 4.45Å; I65-F88 HydrophobicContact CG2-CD2 4.05Å; I65-F88 HydrophobicContact CG2-CG 3.91Å; S68-F88 PolarHBondContact N-O 3.48Å; F74-F88 HydrophobicContact CE2-CB 3.86Å; F74-F88 HydrophobicContact CZ-CB 4.02Å; Y80-F88 CarbonylContact O-C 3.51Å; Y80-F88 VanDerWaalsContact O-CA 3.31Å; Y80-F88 WeakPolarHBondContact O-CA 3.42Å |
| 89 | V | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.8 | 178.1 | -72.8 | 0 | 0 | 0 | 0 | 113.9 | F56 Q69 F74 Y80 C93 R94 L97 | F56-V89 HydrophobicContact CD1-CG2 4.02Å; F56-V89 HydrophobicContact CE1-CG2 3.64Å; F56-V89 HydrophobicContact CZ-CG2 4.36Å; Q69-V89 HydrophobicContact CG-CG1 4.06Å; F74-V89 VanDerWaalsContact CE1-C 3.45Å; F74-V89 WeakPolarHBondContact CE1-O 3.33Å; F74-V89 VanDerWaalsContact CZ-C 3.46Å; Y80-V89 WeakPolarHBondContact CB-O 3.39Å; Y80-V89 PolarHBondContact N-O 2.86Å; Y80-V89 PolarHBondContact O-N 3.3Å; V89-C93 HydrophobicContact CB-CB 3.91Å; V89-C93 HydrophobicContact CG1-CB 4.22Å; V89-R94 HydrophobicContact CG2-CB 4.22Å; V89-L97 HydrophobicContact CB-CD1 4.07Å; V89-L97 HydrophobicContact CG1-CD1 3.41Å; V89-L97 VanDerWaalsContact CG1-CD1 3.41Å; V89-L97 HydrophobicContact CG1-CD2 4.14Å; V89-L97 HydrophobicContact CG1-CG 3.85Å; V89-L97 HydrophobicContact CG2-CD1 3.68Å |
| 90 | H | 91.6 | Very high | 86 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 21% | 0.213 | 32% | 0.316 | C | S | . | . | trans | -68 | 160.8 | 169.2 | -62.3 | 119.7 | 0 | 0 | 0 | 111.6 | C67 C70 F74 G92 C93 R94 | C67-H90 WeakPolarHBondContact CB-CE1 3.31Å; C67-H90 WeakPolarHBondContact CB-ND1 3.42Å; C70-H90 PolarHBondContact SG-CE1 3.16Å; C70-H90 PolarHBondContact SG-ND1 3.47Å; F74-H90 AromaticContact CD1-CD2 3.3Å; F74-H90 WeakPolarHBondContact CD1-CD2 3.3Å; F74-H90 AromaticContact CD1-NE2 3.44Å; F74-H90 WeakPolarHBondContact CD1-NE2 3.08Å; F74-H90 AromaticContact CE1-CD2 3.31Å; F74-H90 WeakPolarHBondContact CE1-CD2 3.34Å; F74-H90 AromaticContact CE1-CG 3.92Å; F74-H90 AromaticContact CE1-NE2 3.71Å; F74-H90 AromaticContact CG-NE2 3.97Å; H90-G92 PolarHBondContact O-N 3.49Å; H90-G92 VanDerWaalsContact O-N 3.17Å; H90-C93 HydrophobicContact CB-CB 4.16Å; H90-C93 PolarHBondContact O-N 2.88Å; H90-R94 PolarHBondContact O-N 3.37Å | ||
| 91 | K | 88.6 | Confident | 85 | Confident | 137 Ų | 137 | 53.6 Ų | 53.6 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -38.6 | 173.9 | -167.7 | 167.7 | 179.8 | -79.7 | 0 | 113.2 | Y80 R94 | Y80-K91 HydrophobicContact CD2-CB 4.31Å; Y80-K91 HydrophobicContact CE2-CB 3.66Å; Y80-K91 HydrophobicContact CE2-CD 4.42Å; Y80-K91 HydrophobicContact CE2-CG 3.89Å; K91-R94 WeakPolarHBondContact O-CD 3.39Å; K91-R94 VanDerWaalsContact O-CG 3.29Å; K91-R94 WeakPolarHBondContact O-CG 3.47Å; K91-R94 PolarHBondContact O-NE 2.72Å |
| 92 | G | 87.6 | Confident | 83.4 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -23.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | H90 R94 | H90-G92 PolarHBondContact O-N 3.49Å; H90-G92 VanDerWaalsContact O-N 3.17Å; G92-R94 VanDerWaalsContact C-N 3.34Å |
| 93 | C | 89 | Confident | 81.9 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -82.2 | -12.7 | -178.8 | -67.2 | 0 | 0 | 0 | 0 | 113.2 | C67 Q69 V89 H90 E95 S96 L97 | C67-C93 VanDerWaalsContact SG-SG 3.66Å; Q69-C93 HydrophobicContact CB-CB 3.85Å; Q69-C93 HydrophobicContact CG-CB 4.15Å; V89-C93 HydrophobicContact CB-CB 3.91Å; V89-C93 HydrophobicContact CG1-CB 4.22Å; H90-C93 HydrophobicContact CB-CB 4.16Å; H90-C93 PolarHBondContact O-N 2.88Å; C93-E95 VanDerWaalsContact C-N 3.27Å; C93-E95 PolarHBondContact O-N 3.17Å; C93-S96 PolarHBondContact O-N 3.4Å; C93-L97 WeakPolarHBondContact O-CG 3.44Å; C93-L97 PolarHBondContact O-N 3.06Å; C93-L97 VanDerWaalsContact O-N 3.17Å |
| 94 | R | 84.6 | Confident | 80.4 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -32.9 | 179.8 | 78.5 | -170.1 | -178.3 | 170.1 | 3.4 | 113.3 | F56 V89 H90 K91 G92 | F56-R94 HydrophobicContact CD2-CB 4.19Å; F56-R94 HydrophobicContact CE2-CB 4.05Å; F56-R94 HydrophobicContact CZ-CB 4.36Å; V89-R94 HydrophobicContact CG2-CB 4.22Å; H90-R94 PolarHBondContact O-N 3.37Å; K91-R94 WeakPolarHBondContact O-CD 3.39Å; K91-R94 VanDerWaalsContact O-CG 3.29Å; K91-R94 WeakPolarHBondContact O-CG 3.47Å; K91-R94 PolarHBondContact O-NE 2.72Å; G92-R94 VanDerWaalsContact C-N 3.34Å |
| 95 | E | 81.2 | Confident | 78.9 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -90.1 | -23.1 | -177.8 | -79 | 155.3 | -155.1 | 0 | 0 | 112.1 | C93 | C93-E95 VanDerWaalsContact C-N 3.27Å; C93-E95 PolarHBondContact O-N 3.17Å |
| 96 | S | 83.1 | Confident | 77.2 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 55% | 0.545 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -88.5 | -4.9 | 173.9 | 98.9 | 0 | 0 | 0 | 0 | 113.5 | C93 | C93-S96 PolarHBondContact O-N 3.4Å |
| 97 | L | 79.6 | Confident | 75.3 | Confident | 16 Ų | 16 | 81.2 Ų | 81.2 | 8% | 0.084 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -65.5 | 132 | 173.7 | -93.7 | 169.7 | 0 | 0 | 0 | 110.2 | F56 Q69 V89 C93 | F56-L97 HydrophobicContact CE1-CD1 3.54Å; F56-L97 HydrophobicContact CE2-CD1 4.48Å; F56-L97 HydrophobicContact CZ-CD1 3.3Å; Q69-L97 HydrophobicContact CG-CD2 3.58Å; Q69-L97 HydrophobicContact CG-CG 3.57Å; V89-L97 HydrophobicContact CB-CD1 4.07Å; V89-L97 HydrophobicContact CG1-CD1 3.41Å; V89-L97 VanDerWaalsContact CG1-CD1 3.41Å; V89-L97 HydrophobicContact CG1-CD2 4.14Å; V89-L97 HydrophobicContact CG1-CG 3.85Å; V89-L97 HydrophobicContact CG2-CD1 3.68Å; C93-L97 WeakPolarHBondContact O-CG 3.44Å; C93-L97 PolarHBondContact O-N 3.06Å; C93-L97 VanDerWaalsContact O-N 3.17Å |
| 98 | A | 80.7 | Confident | 73.3 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 60% | 0.603 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 161.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H54 | H54-A98 PolarHBondContact NE2-O 2.88Š|
| 99 | S | 80.4 | Confident | 71.4 | Confident | 66 Ų | 66 | 91.5 Ų | 91.5 | 46% | 0.462 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 147.9 | -178.9 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | N52 A101 | N52-S99 VanDerWaalsContact CG-CA 3.41Å; N52-S99 VanDerWaalsContact CG-CB 3.43Å; N52-S99 WeakPolarHBondContact ND2-CA 3.34Å; N52-S99 PolarHBondContact ND2-N 3.3Å; N52-S99 VanDerWaalsContact ND2-N 3.16Å; N52-S99 WeakPolarHBondContact O-CA 3.48Å; N52-S99 WeakPolarHBondContact OD1-CB 3.36Å; S99-A101 PolarHBondContact O-N 3.2Å |
| 100 | C | 82.8 | Confident | 69.3 | Low | 6 Ų | 6 | 94.5 Ų | 94.5 | 4% | 0.041 | 52% | 0.517 | C | S | . | . | trans | -66.5 | 108.7 | -173.1 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | N52 G53 H54 N84 K102 V103 | N52-C100 PolarHBondContact O-N 2.98Å; G53-C100 WeakPolarHBondContact O-CB 3.25Å; H54-C100 HydrophobicContact CB-CB 4.49Å; H54-C100 WeakPolarHBondContact CE1-CA 3.35Å; H54-C100 WeakPolarHBondContact CE1-CB 3.34Å; H54-C100 WeakPolarHBondContact ND1-CB 3.34Å; H54-C100 PolarHBondContact ND1-SG 2.88Å; H54-C100 VanDerWaalsContact NE2-CA 3.34Å; H54-C100 WeakPolarHBondContact NE2-CA 3.48Å; H54-C100 PolarHBondContact NE2-N 2.97Å; H54-C100 VanDerWaalsContact NE2-N 3.16Å; N84-C100 WeakPolarHBondContact CB-SG 3.21Å; C100-K102 VanDerWaalsContact C-N 3.3Å; C100-K102 PolarHBondContact O-N 3.21Å; C100-V103 HydrophobicContact CB-CG2 3.38Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 3.36Å; C100-V103 VanDerWaalsContact SG-CG2 3.5Å | ||
| 101 | A | 69.1 | Low | 67 | Low | 72 Ų | 72 | 97 Ų | 97 | 60% | 0.595 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -63.6 | -34.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S99 V103 K104 M105 | S99-A101 PolarHBondContact O-N 3.2Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.4Å; A101-K104 PolarHBondContact O-N 3.34Å; A101-M105 VanDerWaalsContact O-SD 3.38Å |
| 102 | K | 57.8 | Low | 65.1 | Low | 123 Ų | 123 | 99 Ų | 99 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -72.7 | -17.7 | -176.4 | -67.5 | -160.8 | -165.8 | 153.6 | 0 | 114.4 | N84 C85 C100 | N84-K102 WeakPolarHBondContact O-CB 3.48Å; N84-K102 WeakPolarHBondContact O-CD 3.48Å; C85-K102 HydrophobicContact CB-CD 4.46Å; C85-K102 HydrophobicContact CB-CG 4.28Å; C85-K102 PolarHBondContact O-NZ 3.27Å; C100-K102 VanDerWaalsContact C-N 3.3Å; C100-K102 PolarHBondContact O-N 3.21Å |
| 103 | V | 55.2 | Low | 62.8 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -84.9 | -16 | 175 | -127.1 | 0 | 0 | 0 | 0 | 112.5 | G53 N84 C100 A101 M105 | G53-V103 WeakPolarHBondContact O-CG2 3.05Å; N84-V103 HydrophobicContact CB-CG2 4.19Å; N84-V103 WeakPolarHBondContact ND2-CG1 3.37Å; C100-V103 HydrophobicContact CB-CG2 3.38Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 3.36Å; C100-V103 VanDerWaalsContact SG-CG2 3.5Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.4Å; V103-M105 PolarHBondContact O-N 2.96Å |
| 104 | K | 54.3 | Low | 61 | Low | 171 Ų | 171 | 105.9 Ų | 105.9 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -75.1 | -4.3 | -179.7 | -146.2 | 176.3 | -179.8 | -170.2 | 0 | 113.2 | A101 | A101-K104 PolarHBondContact O-N 3.34Š|
| 105 | M | 51.2 | Low | 59.1 | Low | 151 Ų | 151 | 108.6 Ų | 108.6 | 74% | 0.744 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -96.8 | -17.7 | -177.3 | -21.8 | -60.5 | -100.3 | 0 | 0 | 113.5 | A101 V103 Q107 | A101-M105 VanDerWaalsContact O-SD 3.38Å; V103-M105 PolarHBondContact O-N 2.96Å; M105-Q107 PolarHBondContact O-N 3.06Å |
| 106 | K | 50 | Low | 57.3 | Low | 192 Ų | 192 | 108.8 Ų | 108.8 | 84% | 0.835 | 61% | 0.605 | S | S | * | * | trans | -91.2 | 64.2 | 165.2 | -113.5 | 177.4 | 176.8 | -170 | 0 | 108.5 | P108 | K106-P108 WeakPolarHBondContact O-CD 3.24Š| ||
| 107 | Q | 45.5 | Very low | 55.9 | Low | 133 Ų | 133 | 110.9 Ų | 110.9 | 62% | 0.621 | 62% | 0.615 | S | S | * | * | trans | -43.8 | 126.1 | 148.6 | -83.6 | -91.9 | -35 | 0 | 0 | 107.9 | M105 K109 | M105-Q107 PolarHBondContact O-N 3.06Å; Q107-K109 HydrophobicContact CB-CG 4.38Å; Q107-K109 PolarHBondContact O-N 3.16Å | ||
| 108 | P | 47.6 | Very low | 54.7 | Low | 102 Ų | 102 | 115.7 Ų | 115.7 | 66% | 0.662 | 65% | 0.65 | S | S | * | * | trans | -58.6 | 94 | 138.1 | 26 | -27.4 | 0 | 0 | 0 | 105.5 | K106 G110 | K106-P108 WeakPolarHBondContact O-CD 3.24Å; P108-G110 PolarHBondContact O-N 2.78Å | ||
| 109 | K | 48.5 | Very low | 53.6 | Low | 204 Ų | 204 | 118 Ų | 118 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -59.1 | 87.8 | 155.1 | -89.1 | 160.4 | 172.7 | 171 | 0 | 105 | Q107 | Q107-K109 HydrophobicContact CB-CG 4.38Å; Q107-K109 PolarHBondContact O-N 3.16Å |
| 110 | G | 47.8 | Very low | 52 | Low | 64 Ų | 64 | 122.7 Ų | 122.7 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | trans | 160.1 | 32.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | P108 | P108-G110 PolarHBondContact O-N 2.78Š| ||
| 111 | S | 43 | Very low | 50.4 | Low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | trans | -144.1 | 43.5 | 154.4 | 81.9 | 0 | 0 | 0 | 0 | 112.1 | Q113 | S111-Q113 PolarHBondContact O-N 3.48Š| ||
| 112 | L | 48.2 | Very low | 50 | Low | 177 Ų | 177 | 130.8 Ų | 130.8 | 93% | 0.927 | 73% | 0.725 | S | S | * | * | trans | -86.9 | 69.5 | 132.9 | -70.1 | -174.8 | 0 | 0 | 0 | 105.9 | A114 | L112-A114 PolarHBondContact O-N 2.96Š| ||
| 113 | Q | 40.4 | Very low | 49.7 | Very low | 142 Ų | 142 | 131 Ų | 131 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -79.5 | 77.2 | 159.5 | -134.2 | -179.4 | 34.3 | 0 | 0 | 104.2 | S111 H115 | S111-Q113 PolarHBondContact O-N 3.48Å; Q113-H115 WeakPolarHBondContact CB-ND1 3.28Å; Q113-H115 VanDerWaalsContact CD-ND1 3.3Å; Q113-H115 VanDerWaalsContact CG-ND1 3.28Å; Q113-H115 WeakPolarHBondContact CG-ND1 3.41Å; Q113-H115 PolarHBondContact O-CE1 3.41Å; Q113-H115 PolarHBondContact O-N 3.04Å; Q113-H115 PolarHBondContact OE1-CE1 2.9Å; Q113-H115 PolarHBondContact OE1-ND1 3.17Å | ||
| 114 | A | 50 | Low | 50 | Low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | -66.6 | 78.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | L112 D116 | L112-A114 PolarHBondContact O-N 2.96Å; A114-D116 PolarHBondContact O-N 3Å | ||
| 115 | H | 44.3 | Very low | 49.7 | Very low | 139 Ų | 139 | 135 Ų | 135 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | trans | -69.4 | 90.4 | 155.3 | 22.3 | -106 | 0 | 0 | 0 | 104.9 | Q113 T117 | Q113-H115 WeakPolarHBondContact CB-ND1 3.28Å; Q113-H115 VanDerWaalsContact CD-ND1 3.3Å; Q113-H115 VanDerWaalsContact CG-ND1 3.28Å; Q113-H115 WeakPolarHBondContact CG-ND1 3.41Å; Q113-H115 PolarHBondContact O-CE1 3.41Å; Q113-H115 PolarHBondContact O-N 3.04Å; Q113-H115 PolarHBondContact OE1-CE1 2.9Å; Q113-H115 PolarHBondContact OE1-ND1 3.17Å; H115-T117 PolarHBondContact O-N 3.4Å | ||
| 116 | D | 44.9 | Very low | 50.1 | Low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -34.9 | 130.6 | 146.1 | -89.8 | -77.4 | 0 | 0 | 0 | 109.6 | A114 | A114-D116 PolarHBondContact O-N 3Š| ||
| 117 | T | 53.8 | Low | 50 | Low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 56.9 | 109.8 | 151.7 | 46.1 | 0 | 0 | 0 | 0 | 118.1 | H115 | H115-T117 PolarHBondContact O-N 3.4Š|
| 118 | S | 53.2 | Low | 50.2 | Low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | 145.9 | 73.8 | 115.9 | 74.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 119 | S | 56.9 | Low | 50.5 | Low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -166 | 63.6 | 148.5 | -131.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 120 | L | 48 | Very low | 50.1 | Low | 166 Ų | 166 | 137.3 Ų | 137.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138.7 | 141.6 | 148.4 | -76.8 | -176.1 | 0 | 0 | 0 | 108.2 | ||
| 121 | P | 49.1 | Very low | 50.3 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -74.2 | 147.1 | -156.8 | 30.7 | -34.4 | 0 | 0 | 0 | 111.8 | V123 | P121-V123 PolarHBondContact O-N 3.32Š| ||
| 122 | T | 60.8 | Low | 50.6 | Low | 130 Ų | 130 | 141.5 Ų | 141.5 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -23.2 | 111.4 | 162.4 | -63.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 123 | V | 51.3 | Low | 50.5 | Low | 128 Ų | 128 | 141.7 Ų | 141.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -153.7 | 100.7 | 135.3 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | P121 | P121-V123 PolarHBondContact O-N 3.32Š| ||
| 124 | I | 61.6 | Low | 50.8 | Low | 135 Ų | 135 | 144.1 Ų | 144.1 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | 26.9 | 123.5 | 134.2 | -42.5 | 165.5 | 0 | 0 | 0 | 117.9 | ||||
| 125 | M | 47.1 | Very low | 51.1 | Low | 180 Ų | 180 | 150.2 Ų | 150.2 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | -162.6 | 116.6 | 121.6 | -88.1 | -101.5 | 81.7 | 0 | 0 | 109.2 | N127 | M125-N127 PolarHBondContact O-N 2.94Š| |||
| 126 | R | 60.4 | Low | 51.5 | Low | 243 Ų | 243 | 150.2 Ų | 150.2 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 113.7 | -179.8 | -178.8 | -172.7 | -86.2 | 146.1 | -9.3 | 108.3 | ||||
| 127 | N | 47.1 | Very low | 51.7 | Low | 161 Ų | 161 | 154.5 Ų | 154.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -128 | 138.8 | 164.5 | -150.2 | 55 | 0 | 0 | 0 | 112.6 | M125 | M125-N127 PolarHBondContact O-N 2.94Š| ||
| 128 | K | 50.4 | Low | 51.9 | Low | 185 Ų | 185 | 153.6 Ų | 153.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -53.1 | 147.5 | -171.8 | -157.4 | 80.6 | 166.9 | -173.8 | 0 | 113.4 | ||||
| 129 | P | 53.5 | Low | 51.6 | Low | 123 Ų | 123 | 153 Ų | 153 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -82.6 | 128.8 | 177.8 | 32.9 | -32.7 | 0 | 0 | 0 | 111.5 | ||||
| 130 | S | 40.8 | Very low | 51.3 | Low | 119 Ų | 119 | 153.9 Ų | 153.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -132.1 | 86.5 | 155.6 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 131 | Q | 50.8 | Low | 51.7 | Low | 166 Ų | 166 | 153.9 Ų | 153.9 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -66.8 | 172.4 | 152.6 | -84.6 | -111.1 | -6.1 | 0 | 0 | 109 | ||||
| 132 | P | 50.6 | Low | 51.4 | Low | 84 Ų | 84 | 156.3 Ų | 156.3 | 55% | 0.545 | 81% | 0.814 | S | S | . | * | cis | -147.7 | -173 | -41.1 | 40.6 | -23.2 | 0 | 0 | 0 | 113.6 | ||||
| 133 | K | 46.2 | Very low | 50.6 | Low | 182 Ų | 182 | 156 Ų | 156 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 63.9 | 104.2 | 161.5 | -82.7 | 110.5 | 168.7 | 176.2 | 0 | 116.2 | ||||
| 134 | E | 46.9 | Very low | 50 | Low | 192 Ų | 192 | 156 Ų | 156 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | -162.5 | 155.5 | 109.8 | -115.8 | -159.7 | 122 | 0 | 0 | 112.3 | |||||
| 135 | R | 55.5 | Low | 49.6 | Very low | 213 Ų | 213 | 157.1 Ų | 157.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -54.7 | 151.3 | -171.8 | -76.6 | 166.6 | 149.9 | 80.1 | -0.7 | 113.3 | R137 | R135-R137 PolarHBondContact O-N 2.81Š| ||
| 136 | P | 52.7 | Low | 49.4 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -70.8 | 97.4 | 166.7 | 31 | -31 | 0 | 0 | 0 | 108.6 | ||||
| 137 | R | 49.3 | Very low | 48.3 | Very low | 223 Ų | 223 | 148 Ų | 148 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -112.4 | 120.4 | 166.4 | -118.9 | -168.5 | -178.5 | 164.2 | 0.4 | 109.7 | R135 | R135-R137 PolarHBondContact O-N 2.81Š| ||
| 138 | S | 58.3 | Low | 48.1 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 51.5 | 76.2 | 146.6 | 57.2 | 0 | 0 | 0 | 0 | 116.4 | V140 | S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.23Å | ||
| 139 | A | 45.9 | Very low | 48.2 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -78.5 | 86.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 140 | V | 50.5 | Low | 48.3 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | -136.8 | 123.9 | 148.6 | -163.5 | 0 | 0 | 0 | 0 | 106.5 | S138 | S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.23Å | ||
| 141 | L | 55.8 | Low | 48.9 | Very low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -73.1 | 157.7 | -167.3 | -63.7 | 169.7 | 0 | 0 | 0 | 113.2 | ||||
| 142 | L | 43.8 | Very low | 49 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | 100.3 | 99.1 | 147.8 | -149.8 | 64.6 | 0 | 0 | 0 | 117.6 | ||||
| 143 | V | 43.2 | Very low | 48.7 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -69 | 130.7 | 140.5 | 127 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 144 | D | 40.5 | Very low | 48.9 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | -163.8 | 158.8 | 66.3 | -165.8 | -122.8 | 0 | 0 | 0 | 111.9 | |||||
| 145 | E | 51.6 | Low | 49.1 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -57 | 146.3 | -174.9 | -61 | 167.4 | 69.4 | 0 | 0 | 114.7 | ||||
| 146 | T | 42.6 | Very low | 49 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | 173.6 | 140.8 | 127.6 | 30.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 147 | A | 38.4 | Very low | 48.7 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | 82.3 | 95 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 148 | T | 43.7 | Very low | 48.9 | Very low | 121 Ų | 121 | 140 Ų | 140 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | 72 | 119 | 111.4 | -52.3 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 149 | T | 52.4 | Low | 48.5 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | trans | 86 | 129.3 | 153.2 | 59.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 150 | P | 55.2 | Low | 48.5 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -86.1 | 113.5 | 167.1 | 33.7 | -26.5 | 0 | 0 | 0 | 109.2 | ||||
| 151 | I | 52.2 | Low | 48.6 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -115 | 102.2 | 172.9 | -55.2 | 177.7 | 0 | 0 | 0 | 108.2 | A153 | I151-A153 PolarHBondContact O-N 3.23Š| ||
| 152 | F | 52.8 | Low | 48.5 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -55.4 | 107.1 | 160.7 | -82.1 | -94.9 | 0 | 0 | 0 | 108.9 | ||||
| 153 | A | 44.4 | Very low | 48.7 | Very low | 80 Ų | 80 | 140.3 Ų | 140.3 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | -114.5 | 82.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | I151 R155 | I151-A153 PolarHBondContact O-N 3.23Å; A153-R155 PolarHBondContact O-N 2.95Å | ||
| 154 | N | 51 | Low | 49.3 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | 22.7 | 78.5 | 128.6 | -167.9 | 24.8 | 0 | 0 | 0 | 115.8 | R156 | N154-R156 PolarHBondContact O-N 3.06Å; N154-R156 PolarHBondContact OD1-N 3.2Å | |||
| 155 | R | 50.5 | Low | 50 | Low | 244 Ų | 244 | 144 Ų | 144 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 82.8 | 150.9 | -74.5 | -158.9 | -168 | -89.3 | 0.7 | 108.2 | A153 S157 | A153-R155 PolarHBondContact O-N 2.95Å; R155-S157 PolarHBondContact O-N 3.4Å | ||
| 156 | R | 53.5 | Low | 50.2 | Low | 207 Ų | 207 | 145.9 Ų | 145.9 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -50.4 | 86.3 | 157.2 | -178 | 79.7 | 179.2 | -169.1 | 1.9 | 108.4 | N154 Q158 | N154-R156 PolarHBondContact O-N 3.06Å; N154-R156 PolarHBondContact OD1-N 3.2Å; R156-Q158 PolarHBondContact O-N 3.07Å | ||
| 157 | S | 46.2 | Very low | 50.6 | Low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -67.2 | 112.5 | 162.4 | -173.9 | 0 | 0 | 0 | 0 | 106.6 | R155 Q159 | R155-S157 PolarHBondContact O-N 3.4Å; S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-Q159 PolarHBondContact O-N 3.22Å | ||
| 158 | Q | 54.4 | Low | 51.2 | Low | 165 Ų | 165 | 149.1 Ų | 149.1 | 77% | 0.771 | 81% | 0.813 | S | S | * | * | trans | -64.8 | 93.4 | 167 | -76.5 | -138.5 | 52 | 0 | 0 | 108.6 | R156 | R156-Q158 PolarHBondContact O-N 3.07Š| ||
| 159 | Q | 49 | Very low | 51.7 | Low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -114.3 | 91.7 | 147.5 | -79.1 | -170.7 | -30 | 0 | 0 | 106.6 | S157 V161 | S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-Q159 PolarHBondContact O-N 3.22Å; Q159-V161 PolarHBondContact O-N 3.46Å | ||
| 160 | S | 46.2 | Very low | 51.6 | Low | 99 Ų | 99 | 153.4 Ų | 153.4 | 69% | 0.692 | 83% | 0.827 | S | S | * | * | trans | -78.3 | 102.6 | 160.5 | 43.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 161 | V | 53.5 | Low | 51.4 | Low | 132 Ų | 132 | 155.5 Ų | 155.5 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -76.4 | 127.2 | 151.9 | -70.2 | 0 | 0 | 0 | 0 | 107.7 | Q159 | Q159-V161 PolarHBondContact O-N 3.46Š| ||
| 162 | S | 52.6 | Low | 51.3 | Low | 108 Ų | 108 | 156.6 Ų | 156.6 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | -167.3 | 118.9 | 151.7 | 31 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 163 | L | 49 | Very low | 51.2 | Low | 172 Ų | 172 | 153.4 Ų | 153.4 | 90% | 0.901 | 84% | 0.835 | S | S | * | * | trans | -56.5 | 144.9 | 166.1 | -65 | 114.2 | 0 | 0 | 0 | 111.3 | ||||
| 164 | S | 55.8 | Low | 51.8 | Low | 128 Ų | 128 | 159.1 Ų | 159.1 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | trans | -139.6 | 126.1 | 150.5 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 165 | K | 55.2 | Low | 51.8 | Low | 201 Ų | 201 | 160.7 Ų | 160.7 | 87% | 0.874 | 86% | 0.857 | S | S | * | * | trans | -111.5 | 124 | 178.9 | 175.3 | 175.4 | 169.8 | 175.5 | 0 | 105.7 | ||||
| 166 | S | 55.9 | Low | 51.9 | Low | 199 Ų | 199 | 153.1 Ų | 153.1 | 100% | 1.392 | 85% | 0.851 | S | S | * | * | trans | -164.6 | 0 | 155.8 | -87.8 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 166 of 166 residues in 108.3 ms
(Link to these results)