| 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 | 58.6 | Low | 61.4 | Low | 234 Ų | 234 | 145.3 Ų | 145.3 | 100% | 1.153 | 86% | 0.855 | S | S | * | * | 0 | 88.3 | 0 | -55.2 | -64.2 | -171.4 | 0 | 0 | 107.7 | |||||
| 2 | D | 56.3 | Low | 61.4 | Low | 154 Ų | 154 | 139.8 Ų | 139.8 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | cis | -159.2 | 150.4 | -11.2 | -130.7 | -71.6 | 0 | 0 | 0 | 105.2 | ||||
| 3 | L | 55.2 | Low | 61.2 | Low | 161 Ų | 161 | 142.1 Ų | 142.1 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -93.8 | -171.9 | -169.8 | -136.7 | 84.7 | 0 | 0 | 0 | 110.5 | ||||
| 4 | P | 65.8 | Low | 60.8 | Low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | -111.6 | -177.7 | -129.5 | 36.3 | -15.3 | 0 | 0 | 0 | 113.8 | |||||
| 5 | Q | 63.8 | Low | 60.8 | Low | 196 Ų | 196 | 142.9 Ų | 142.9 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -154.4 | 142 | 160.1 | -118.6 | 175.2 | -5.2 | 0 | 0 | 115.2 | ||||
| 6 | V | 56.5 | Low | 60.6 | Low | 130 Ų | 130 | 141.5 Ų | 141.5 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -82.5 | 157.3 | -175.2 | -70.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 7 | A | 70.8 | Confident | 60.4 | Low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -163.8 | 114.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | D | 55.2 | Low | 60.4 | Low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -69.3 | 153 | 166.7 | -59.1 | -78.7 | 0 | 0 | 0 | 112.8 | ||||
| 9 | S | 71.5 | Confident | 59.8 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -151.4 | 108.8 | 150.6 | -80.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | D | 58.2 | Low | 59.8 | Low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -67.3 | 153.8 | 167.2 | 171.8 | 47.1 | 0 | 0 | 0 | 112.1 | ||||
| 11 | G | 63.8 | Low | 59.3 | Low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -164.1 | 66.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 12 | S | 60.9 | Low | 58.7 | Low | 79 Ų | 79 | 139.2 Ų | 139.2 | 55% | 0.552 | 79% | 0.79 | S | S | * | * | trans | -46.8 | 142.5 | 166.7 | 167.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 13 | L | 59 | Low | 58.7 | Low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -165.2 | 114.5 | 133.6 | -105.1 | 161.6 | 0 | 0 | 0 | 111.8 | ||||
| 14 | D | 56.2 | Low | 58.1 | Low | 132 Ų | 132 | 133.7 Ų | 133.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -44.9 | 146.9 | 161.2 | -78.4 | -110.1 | 0 | 0 | 0 | 115 | ||||
| 15 | E | 59.6 | Low | 57.4 | Low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | 170.3 | 124.4 | 98 | -99.6 | -153.9 | 112.5 | 0 | 0 | 112.1 | |||||
| 16 | V | 58.3 | Low | 56.6 | Low | 121 Ų | 121 | 135 Ų | 135 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 40.3 | 117.9 | 139.5 | -56.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 17 | D | 57.9 | Low | 56 | Low | 173 Ų | 173 | 138 Ų | 138 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 126 | 136.5 | -164.8 | 57.1 | 0 | 0 | 0 | 109.2 | ||||
| 18 | D | 59.8 | Low | 54.9 | Low | 127 Ų | 127 | 141.9 Ų | 141.9 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -94.8 | 152.3 | -160.6 | -170.4 | -114.3 | 0 | 0 | 0 | 111.4 | ||||
| 19 | S | 49.8 | Very low | 54.2 | Low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -72.9 | 130.8 | -176.8 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 20 | H | 58.5 | Low | 53.1 | Low | 184 Ų | 184 | 140.8 Ų | 140.8 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -147.3 | 110.8 | 147 | -87.6 | -64 | 0 | 0 | 0 | 113.3 | ||||
| 21 | N | 49.2 | Very low | 52.5 | Low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 158 | 164 | 178.9 | 36.6 | 0 | 0 | 0 | 110.4 | ||||
| 22 | E | 46.9 | Very low | 51.5 | Low | 169 Ų | 169 | 140.6 Ų | 140.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 86.3 | 103.6 | 157.5 | -149 | -177 | 145.7 | 0 | 0 | 119.5 | ||||
| 23 | A | 55.7 | Low | 50.9 | Low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -166.9 | 121.3 | 136.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 24 | P | 43.8 | Very low | 50.2 | Low | 100 Ų | 100 | 143 Ų | 143 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -96.9 | 137.1 | 163.3 | 33.7 | -24.7 | 0 | 0 | 0 | 109.4 | ||||
| 25 | Q | 49.9 | Very low | 49.9 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -172.2 | 123.8 | 154.6 | -104.6 | 152.4 | 45.9 | 0 | 0 | 114.3 | ||||
| 26 | Q | 47.4 | Very low | 49.4 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 82.8 | 99.6 | 134.6 | -72.8 | 169.4 | 7.2 | 0 | 0 | 120.5 | ||||
| 27 | E | 43.7 | Very low | 48.6 | Very low | 193 Ų | 193 | 146 Ų | 146 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -33 | 125.5 | 140 | -59 | 179.4 | 136 | 0 | 0 | 113.2 | ||||
| 28 | Q | 47 | Very low | 48.2 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -138.4 | 124.3 | 147.9 | -74.1 | -169.1 | 7.8 | 0 | 0 | 108.6 | ||||
| 29 | G | 42.3 | Very low | 47.4 | Very low | 80 Ų | 80 | 148.1 Ų | 148.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -67.9 | 148.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 30 | I | 48.3 | Very low | 47.5 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -106.8 | 116.1 | 162.6 | -88.3 | 163.7 | 0 | 0 | 0 | 108.1 | ||||
| 31 | S | 44.4 | Very low | 46.8 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -66.6 | 145.8 | -179 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 32 | V | 43.8 | Very low | 46.6 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | -49.8 | 138.6 | 164.5 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 33 | S | 47.6 | Very low | 46.8 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -144 | 108.3 | 152.4 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 34 | E | 44.9 | Very low | 46.3 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -56.2 | 134.5 | 160.4 | -77.4 | 167 | 105.7 | 0 | 0 | 109.9 | ||||
| 35 | E | 49.9 | Very low | 46.4 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -139.7 | 91.9 | 159.6 | -152.8 | 173.6 | 155.4 | 0 | 0 | 110.4 | ||||
| 36 | E | 48 | Very low | 46.3 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | 26.5 | 125.2 | 131.4 | -138.4 | 178.6 | 114.7 | 0 | 0 | 120.3 | ||||
| 37 | V | 41.8 | Very low | 46.5 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -47.6 | 126.2 | 161.5 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 38 | K | 50.3 | Low | 47.1 | Very low | 180 Ų | 180 | 147 Ų | 147 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -150.3 | 104 | 155.8 | -120.5 | 163.2 | -172.8 | 157.9 | 0 | 112.7 | ||||
| 39 | Q | 43.3 | Very low | 47.3 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -64.7 | 145.1 | 150.2 | -68.4 | -172.4 | -14.5 | 0 | 0 | 108.7 | ||||
| 40 | P | 51.8 | Low | 48 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -118.1 | 121.4 | 150.2 | 30.4 | -18.6 | 0 | 0 | 0 | 110.4 | ||||
| 41 | E | 43.5 | Very low | 48 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -62.9 | 161.8 | 168.3 | -57.9 | 179.1 | 133.3 | 0 | 0 | 112.1 | ||||
| 42 | S | 44.2 | Very low | 48.9 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 70.2 | 83.9 | 146.1 | -60.3 | 0 | 0 | 0 | 0 | 118.7 | N44 | S42-N44 PolarHBondContact O-N 3.1Å; S42-N44 VanDerWaalsContact O-N 3.16Å | ||
| 43 | I | 51.6 | Low | 49.7 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -79.8 | 78.1 | 159.4 | -166.8 | 167.9 | 0 | 0 | 0 | 110.6 | ||||
| 44 | N | 44.1 | Very low | 50.2 | Low | 166 Ų | 166 | 157.1 Ų | 157.1 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -158.3 | 73.6 | 163.4 | -127.6 | 73.4 | 0 | 0 | 0 | 110.5 | S42 | S42-N44 PolarHBondContact O-N 3.1Å; S42-N44 VanDerWaalsContact O-N 3.16Å | ||
| 45 | G | 46.9 | Very low | 51.4 | Low | 80 Ų | 80 | 157.2 Ų | 157.2 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -158.6 | 117.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 46 | H | 46.7 | Very low | 52.2 | Low | 179 Ų | 179 | 159.8 Ų | 159.8 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | -87.6 | 118.8 | -174.2 | 168.2 | 38.9 | 0 | 0 | 0 | 110.3 | ||||
| 47 | E | 53.2 | Low | 53.4 | Low | 182 Ų | 182 | 161.7 Ų | 161.7 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -151.4 | 99.4 | 165.6 | -154.9 | 165.3 | 148.3 | 0 | 0 | 108.8 | ||||
| 48 | V | 55.8 | Low | 54.9 | Low | 110 Ų | 110 | 165.2 Ų | 165.2 | 67% | 0.667 | 84% | 0.836 | S | S | * | * | 70.7 | 87.5 | 98.6 | -175.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 49 | D | 50.1 | Low | 55.8 | Low | 156 Ų | 156 | 163 Ų | 163 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | trans | 23.2 | 98.8 | 141.6 | -130.9 | 4 | 0 | 0 | 0 | 119 | ||||
| 50 | T | 57.1 | Low | 56.9 | Low | 135 Ų | 135 | 161.4 Ų | 161.4 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -122.6 | 118.5 | 152.5 | 38.7 | 0 | 0 | 0 | 0 | 108.6 | E52 | T50-E52 PolarHBondContact O-N 3.2Š| ||
| 51 | G | 49.9 | Very low | 57.4 | Low | 79 Ų | 79 | 163.8 Ų | 163.8 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | -76 | 68.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 52 | E | 62.2 | Low | 58.4 | Low | 179 Ų | 179 | 163 Ų | 163 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -85 | 117.4 | 160.6 | -82.8 | -171.9 | 137.3 | 0 | 0 | 110.1 | T50 R54 | T50-E52 PolarHBondContact O-N 3.2Å; E52-R54 PolarHBondContact O-N 3.35Å | ||
| 53 | K | 60.6 | Low | 59.4 | Low | 204 Ų | 204 | 159.9 Ų | 159.9 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -51.5 | 97.7 | 177.2 | -67 | 171.2 | -179.3 | 168.7 | 0 | 109.9 | Q55 | K53-Q55 PolarHBondContact O-N 3.29Š| ||
| 54 | R | 57.5 | Low | 60.2 | Low | 241 Ų | 241 | 156.7 Ų | 156.7 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -51.2 | 112.3 | 173.1 | -80.1 | -178.7 | 171.9 | -175.1 | -1.9 | 109.3 | E52 R56 | E52-R54 PolarHBondContact O-N 3.35Å; R54-R56 PolarHBondContact O-N 2.86Å; R54-R56 VanDerWaalsContact O-N 3.07Å | ||
| 55 | Q | 69.9 | Low | 61.5 | Low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -57.9 | 116.1 | 167.2 | -74.7 | -173.9 | -3.7 | 0 | 0 | 108 | K53 K57 | K53-Q55 PolarHBondContact O-N 3.29Å; Q55-K57 PolarHBondContact O-N 2.88Å | ||
| 56 | R | 68.5 | Low | 62.6 | Low | 244 Ų | 244 | 157.3 Ų | 157.3 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -62.1 | 111.7 | 174.1 | -74.2 | 173.2 | 82.5 | 174.7 | 6.1 | 107.6 | R54 K58 | R54-R56 PolarHBondContact O-N 2.86Å; R54-R56 VanDerWaalsContact O-N 3.07Å; R56-K58 PolarHBondContact O-N 3.48Å | ||
| 57 | K | 71.5 | Confident | 64.1 | Low | 197 Ų | 197 | 152.8 Ų | 152.8 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | trans | -55.9 | 127.5 | 166.9 | -69.1 | -175 | 177.4 | -178.4 | 0 | 107.9 | Q55 V59 | Q55-K57 PolarHBondContact O-N 2.88Å; K57-V59 PolarHBondContact O-N 3.32Å; K57-V59 VanDerWaalsContact O-N 3.16Å | ||
| 58 | K | 74.2 | Confident | 65.4 | Low | 205 Ų | 205 | 152.8 Ų | 152.8 | 89% | 0.891 | 73% | 0.729 | S | S | * | * | trans | -58.9 | 121.1 | 175.6 | -164.5 | 158.2 | -175.3 | 175.9 | 0 | 107.3 | R56 Q60 | R56-K58 PolarHBondContact O-N 3.48Å; K58-Q60 VanDerWaalsContact C-N 3.33Å; K58-Q60 PolarHBondContact O-N 2.96Å | ||
| 59 | V | 68.5 | Low | 66.6 | Low | 133 Ų | 133 | 150.4 Ų | 150.4 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | -65 | 97.3 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 107.1 | K57 R61 | K57-V59 PolarHBondContact O-N 3.32Å; K57-V59 VanDerWaalsContact O-N 3.16Å; V59-R61 PolarHBondContact O-N 3.41Å; V59-R61 VanDerWaalsContact O-N 3.15Å | ||
| 60 | Q | 66.6 | Low | 68.1 | Low | 132 Ų | 132 | 148.7 Ų | 148.7 | 62% | 0.617 | 71% | 0.707 | S | S | * | * | trans | -65.4 | 114.4 | 171.5 | -155.5 | 170.8 | 16.8 | 0 | 0 | 106.1 | K58 L62 | K58-Q60 VanDerWaalsContact C-N 3.33Å; K58-Q60 PolarHBondContact O-N 2.96Å; Q60-L62 PolarHBondContact O-N 2.82Å | ||
| 61 | R | 63.4 | Low | 69.3 | Low | 176 Ų | 176 | 147.5 Ų | 147.5 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | trans | -68.4 | 123.4 | -173.6 | -150.5 | 175.8 | -177.3 | 108.9 | -1.4 | 105.8 | V59 S63 E64 | V59-R61 PolarHBondContact O-N 3.41Å; V59-R61 VanDerWaalsContact O-N 3.15Å; R61-S63 WeakPolarHBondContact CB-OG 3.36Å; R61-S63 WeakPolarHBondContact CG-OG 3.25Å; R61-S63 PolarHBondContact O-N 3.47Å; R61-E64 HydrophobicContact CB-CG 4.46Å; R61-E64 WeakPolarHBondContact O-CB 3.33Å; R61-E64 PolarHBondContact O-N 3.42Å | ||
| 62 | L | 63.2 | Low | 71 | Confident | 149 Ų | 149 | 146.1 Ų | 146.1 | 78% | 0.78 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -51.1 | -21 | -178.3 | -147.6 | 78.9 | 0 | 0 | 0 | 113.2 | Q60 T65 W66 | Q60-L62 PolarHBondContact O-N 2.82Å; L62-T65 PolarHBondContact O-OG1 3.37Å; L62-W66 WeakPolarHBondContact O-CB 3.43Å; L62-W66 PolarHBondContact O-N 3.16Å |
| 63 | S | 66.3 | Low | 72.1 | Confident | 50 Ų | 50 | 144.4 Ų | 144.4 | 35% | 0.35 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -62.8 | -36.2 | 170.8 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | R61 N67 | R61-S63 WeakPolarHBondContact CB-OG 3.36Å; R61-S63 WeakPolarHBondContact CG-OG 3.25Å; R61-S63 PolarHBondContact O-N 3.47Å; S63-N67 WeakPolarHBondContact O-CB 3.25Å; S63-N67 PolarHBondContact O-N 2.95Å; S63-N67 PolarHBondContact O-ND2 3.23Å; S63-N67 PolarHBondContact O-OD1 2.9Å |
| 64 | E | 67.6 | Low | 73.2 | Confident | 106 Ų | 106 | 138.1 Ų | 138.1 | 50% | 0.495 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71.5 | -40.2 | -177 | -69.2 | 163.9 | -170.7 | 0 | 0 | 111.9 | R61 R68 | R61-E64 HydrophobicContact CB-CG 4.46Å; R61-E64 WeakPolarHBondContact O-CB 3.33Å; R61-E64 PolarHBondContact O-N 3.42Å; E64-R68 WeakPolarHBondContact O-CB 3.39Å; E64-R68 PolarHBondContact O-N 3.34Å |
| 65 | T | 71.8 | Confident | 74.5 | Confident | 67 Ų | 67 | 133 Ų | 133 | 41% | 0.411 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.4 | -39.3 | 175.9 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | L62 A69 | L62-T65 PolarHBondContact O-OG1 3.37Å; T65-A69 WeakPolarHBondContact O-CB 3.4Å; T65-A69 PolarHBondContact O-N 3.44Å |
| 66 | W | 69.7 | Low | 75.3 | Confident | 192 Ų | 192 | 130.8 Ų | 130.8 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.8 | -42.1 | 174 | -173.4 | -93 | 0 | 0 | 0 | 112.3 | L62 A69 H70 | L62-W66 WeakPolarHBondContact O-CB 3.43Å; L62-W66 PolarHBondContact O-N 3.16Å; W66-A69 PolarHBondContact O-N 2.96Å; W66-H70 WeakPolarHBondContact O-CB 3.44Å; W66-H70 PolarHBondContact O-N 2.97Å |
| 67 | N | 79.3 | Confident | 76 | Confident | 83 Ų | 83 | 126.2 Ų | 126.2 | 44% | 0.444 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.9 | -46 | 177.2 | -70.3 | -11.8 | 0 | 0 | 0 | 111.3 | S63 A69 H70 E71 | S63-N67 WeakPolarHBondContact O-CB 3.25Å; S63-N67 PolarHBondContact O-N 2.95Å; S63-N67 PolarHBondContact O-ND2 3.23Å; S63-N67 PolarHBondContact O-OD1 2.9Å; N67-A69 VanDerWaalsContact C-N 3.33Å; N67-A69 PolarHBondContact O-N 3.35Å; N67-H70 WeakPolarHBondContact O-CB 3.36Å; N67-H70 PolarHBondContact O-N 2.77Å; N67-H70 VanDerWaalsContact O-N 3.14Å; N67-E71 WeakPolarHBondContact O-CB 3.47Å; N67-E71 VanDerWaalsContact O-CG 3.31Å; N67-E71 WeakPolarHBondContact O-CG 3.45Å; N67-E71 PolarHBondContact O-N 3.31Å |
| 68 | R | 80.1 | Confident | 76.6 | Confident | 183 Ų | 183 | 120.6 Ų | 120.6 | 69% | 0.691 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.3 | -40.4 | 177.1 | -175.1 | 178.5 | -70.1 | -168.7 | -3.6 | 112.3 | E64 H70 E71 A72 | E64-R68 WeakPolarHBondContact O-CB 3.39Å; E64-R68 PolarHBondContact O-N 3.34Å; R68-H70 VanDerWaalsContact C-N 3.34Å; R68-E71 PolarHBondContact O-N 2.93Å; R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 2.95Å |
| 69 | A | 81.2 | Confident | 77.1 | Confident | 60 Ų | 60 | 118.3 Ų | 118.3 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -37.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T65 W66 N67 K73 | T65-A69 WeakPolarHBondContact O-CB 3.4Å; T65-A69 PolarHBondContact O-N 3.44Å; W66-A69 PolarHBondContact O-N 2.96Å; N67-A69 VanDerWaalsContact C-N 3.33Å; N67-A69 PolarHBondContact O-N 3.35Å; A69-K73 VanDerWaalsContact O-CB 3.29Å; A69-K73 WeakPolarHBondContact O-CB 3.45Å; A69-K73 PolarHBondContact O-N 2.67Å; A69-K73 VanDerWaalsContact O-N 3.12Å |
| 70 | H | 81.2 | Confident | 77.7 | Confident | 119 Ų | 119 | 114.3 Ų | 114.3 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.2 | -43.7 | 174.6 | -177.2 | -84 | 0 | 0 | 0 | 112 | W66 N67 R68 K73 E74 | W66-H70 WeakPolarHBondContact O-CB 3.44Å; W66-H70 PolarHBondContact O-N 2.97Å; N67-H70 WeakPolarHBondContact O-CB 3.36Å; N67-H70 PolarHBondContact O-N 2.77Å; N67-H70 VanDerWaalsContact O-N 3.14Å; R68-H70 VanDerWaalsContact C-N 3.34Å; H70-K73 PolarHBondContact O-N 2.89Å; H70-E74 WeakPolarHBondContact O-CB 3.29Å; H70-E74 PolarHBondContact O-N 2.92Å |
| 71 | E | 83.1 | Confident | 78.4 | Confident | 111 Ų | 111 | 111 Ų | 111 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -52.1 | 175.6 | -74.1 | 165.4 | -172.2 | 0 | 0 | 111.1 | N67 R68 K73 E74 E75 | N67-E71 WeakPolarHBondContact O-CB 3.47Å; N67-E71 VanDerWaalsContact O-CG 3.31Å; N67-E71 WeakPolarHBondContact O-CG 3.45Å; N67-E71 PolarHBondContact O-N 3.31Å; R68-E71 PolarHBondContact O-N 2.93Å; E71-K73 VanDerWaalsContact C-N 3.28Å; E71-K73 PolarHBondContact O-N 3.31Å; E71-E74 PolarHBondContact O-N 3.32Å; E71-E75 WeakPolarHBondContact O-CG 3.35Å; E71-E75 PolarHBondContact O-N 2.97Å |
| 72 | A | 85.8 | Confident | 79.2 | Confident | 50 Ų | 50 | 108.7 Ų | 108.7 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R68 E76 | R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 2.95Å; A72-E76 WeakPolarHBondContact O-CB 3.21Å; A72-E76 PolarHBondContact O-N 3.29Å |
| 73 | K | 83.2 | Confident | 80 | Confident | 142 Ų | 142 | 104.5 Ų | 104.5 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -36 | 176.4 | -173 | 172.8 | -174.9 | 170.9 | 0 | 112.4 | A69 H70 E71 R77 | A69-K73 VanDerWaalsContact O-CB 3.29Å; A69-K73 WeakPolarHBondContact O-CB 3.45Å; A69-K73 PolarHBondContact O-N 2.67Å; A69-K73 VanDerWaalsContact O-N 3.12Å; H70-K73 PolarHBondContact O-N 2.89Å; E71-K73 VanDerWaalsContact C-N 3.28Å; E71-K73 PolarHBondContact O-N 3.31Å; K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.27Å; K73-R77 PolarHBondContact O-N 3.3Å; K73-R77 VanDerWaalsContact O-N 3.12Å |
| 74 | E | 84.6 | Confident | 80.5 | Confident | 73 Ų | 73 | 103.6 Ų | 103.6 | 34% | 0.341 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.1 | -39 | 177.4 | -168.2 | 61.6 | -169.8 | 0 | 0 | 111.5 | H70 E71 E76 R77 I78 | H70-E74 WeakPolarHBondContact O-CB 3.29Å; H70-E74 PolarHBondContact O-N 2.92Å; E71-E74 PolarHBondContact O-N 3.32Å; E74-E76 PolarHBondContact O-N 3.27Å; E74-R77 WeakPolarHBondContact O-CB 3.38Å; E74-R77 PolarHBondContact O-N 3.47Å; E74-R77 IonicContact OE1-NH1 2.97Å; E74-R77 IonicContact OE2-CZ 3.5Å; E74-R77 IonicContact OE2-NH1 3.68Å; E74-R77 PolarHBondContact OE2-NH1 3.44Å; E74-I78 HydrophobicContact CG-CD1 4.15Å; E74-I78 VanDerWaalsContact O-CG1 3.28Å; E74-I78 WeakPolarHBondContact O-CG1 3.23Å; E74-I78 PolarHBondContact O-N 2.96Å |
| 75 | E | 85.2 | Confident | 80.8 | Confident | 133 Ų | 133 | 102.2 Ų | 102.2 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.8 | -45.1 | 171.4 | -73.6 | 176.2 | -174.8 | 0 | 0 | 111.7 | E71 R77 I78 K79 | E71-E75 WeakPolarHBondContact O-CG 3.35Å; E71-E75 PolarHBondContact O-N 2.97Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.06Å; E75-I78 PolarHBondContact O-N 2.61Å; E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 PolarHBondContact O-N 2.84Å |
| 76 | E | 86.1 | Confident | 81 | Confident | 141 Ų | 141 | 101.4 Ų | 101.4 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 175.1 | -171.3 | -174.3 | 173.6 | 0 | 0 | 111.4 | A72 E74 K79 A80 | A72-E76 WeakPolarHBondContact O-CB 3.21Å; A72-E76 PolarHBondContact O-N 3.29Å; E74-E76 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 3.46Å; E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.17Å; E76-A80 PolarHBondContact O-N 3.41Å |
| 77 | R | 83.7 | Confident | 81.1 | Confident | 148 Ų | 148 | 93.5 Ų | 93.5 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 175.7 | -73 | 177.3 | 75.7 | -140.8 | 2 | 112.1 | K73 E74 E75 A80 V81 | K73-R77 VanDerWaalsContact O-CG 3.26Å; K73-R77 WeakPolarHBondContact O-CG 3.27Å; K73-R77 PolarHBondContact O-N 3.3Å; K73-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 WeakPolarHBondContact O-CB 3.38Å; E74-R77 PolarHBondContact O-N 3.47Å; E74-R77 IonicContact OE1-NH1 2.97Å; E74-R77 IonicContact OE2-CZ 3.5Å; E74-R77 IonicContact OE2-NH1 3.68Å; E74-R77 PolarHBondContact OE2-NH1 3.44Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.06Å; R77-A80 PolarHBondContact O-N 2.93Å; R77-V81 WeakPolarHBondContact O-CB 3.15Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 2.99Å |
| 78 | I | 84.3 | Confident | 81.1 | Confident | 80 Ų | 80 | 91.2 Ų | 91.2 | 41% | 0.41 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 177.3 | -69.1 | 165.2 | 0 | 0 | 0 | 109.9 | E74 E75 A80 V81 Q82 | E74-I78 HydrophobicContact CG-CD1 4.15Å; E74-I78 VanDerWaalsContact O-CG1 3.28Å; E74-I78 WeakPolarHBondContact O-CG1 3.23Å; E74-I78 PolarHBondContact O-N 2.96Å; E75-I78 PolarHBondContact O-N 2.61Å; I78-A80 PolarHBondContact O-N 3.35Å; I78-V81 CarbonylContact O-C 3.44Å; I78-V81 WeakPolarHBondContact O-CA 3.33Å; I78-V81 WeakPolarHBondContact O-CB 3.4Å; I78-V81 PolarHBondContact O-N 3.23Å; I78-Q82 HydrophobicContact CG2-CG 4.39Å; I78-Q82 WeakPolarHBondContact O-CG 3.28Å; I78-Q82 PolarHBondContact O-N 3.32Å |
| 79 | K | 84.8 | Confident | 80.5 | Confident | 156 Ų | 156 | 90.3 Ų | 90.3 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 176.7 | -172.2 | 175.7 | -177.6 | 177.2 | 0 | 111.7 | E75 E76 V81 Q82 A83 | E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 PolarHBondContact O-N 2.84Å; E76-K79 PolarHBondContact O-N 3.46Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.12Å; K79-Q82 PolarHBondContact O-N 3.23Å; K79-A83 WeakPolarHBondContact O-CB 3.5Å; K79-A83 PolarHBondContact O-N 3.38Å |
| 80 | A | 81.4 | Confident | 80.1 | Confident | 49 Ų | 49 | 90 Ų | 90 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E76 R77 I78 V84 | E76-A80 VanDerWaalsContact O-CB 3.29Å; E76-A80 WeakPolarHBondContact O-CB 3.17Å; E76-A80 PolarHBondContact O-N 3.41Å; R77-A80 PolarHBondContact O-N 2.93Å; I78-A80 PolarHBondContact O-N 3.35Å; A80-V84 WeakPolarHBondContact O-CB 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.3Å; A80-V84 PolarHBondContact O-N 2.9Å |
| 81 | V | 81.1 | Confident | 80 | Confident | 64 Ų | 64 | 85.5 Ų | 85.5 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 175.7 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | R77 I78 K79 S85 R124 | R77-V81 WeakPolarHBondContact O-CB 3.15Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 2.99Å; I78-V81 CarbonylContact O-C 3.44Å; I78-V81 WeakPolarHBondContact O-CA 3.33Å; I78-V81 WeakPolarHBondContact O-CB 3.4Å; I78-V81 PolarHBondContact O-N 3.23Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.12Å; V81-S85 WeakPolarHBondContact O-CB 3.49Å; V81-S85 PolarHBondContact O-N 2.91Å; V81-R124 VanDerWaalsContact CA-NH1 3.33Å |
| 82 | Q | 80.3 | Confident | 79.9 | Confident | 126 Ų | 126 | 85.2 Ų | 85.2 | 59% | 0.589 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.2 | -47.5 | 177.6 | -74.1 | 175.1 | -5.4 | 0 | 0 | 111.9 | I78 K79 V84 S85 A86 | I78-Q82 HydrophobicContact CG2-CG 4.39Å; I78-Q82 WeakPolarHBondContact O-CG 3.28Å; I78-Q82 PolarHBondContact O-N 3.32Å; K79-Q82 PolarHBondContact O-N 3.23Å; Q82-V84 VanDerWaalsContact C-N 3.26Å; Q82-V84 PolarHBondContact O-N 3.42Å; Q82-S85 CarbonylContact O-C 3.57Å; Q82-S85 WeakPolarHBondContact O-CA 3.36Å; Q82-S85 WeakPolarHBondContact O-CB 3.37Å; Q82-S85 PolarHBondContact O-N 3.27Å; Q82-A86 WeakPolarHBondContact O-CB 3.44Å; Q82-A86 PolarHBondContact O-N 3.49Å |
| 83 | A | 79.4 | Confident | 79.8 | Confident | 62 Ų | 62 | 83.1 Ų | 83.1 | 51% | 0.512 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.4 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | K79 A87 | K79-A83 WeakPolarHBondContact O-CB 3.5Å; K79-A83 PolarHBondContact O-N 3.38Å; A83-A87 PolarHBondContact O-N 2.66Å |
| 84 | V | 76.5 | Confident | 80 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 19% | 0.188 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | A80 Q82 A87 F88 Y122 | A80-V84 WeakPolarHBondContact O-CB 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.3Å; A80-V84 PolarHBondContact O-N 2.9Å; Q82-V84 VanDerWaalsContact C-N 3.26Å; Q82-V84 PolarHBondContact O-N 3.42Å; V84-A87 PolarHBondContact O-N 3.28Å; V84-F88 HydrophobicContact CG1-CE2 3.53Å; V84-F88 HydrophobicContact CG1-CZ 3.69Å; V84-F88 WeakPolarHBondContact O-CD2 3.41Å; V84-F88 WeakPolarHBondContact O-CE2 3.29Å; V84-Y122 HydrophobicContact CG1-CD1 3.5Å; V84-Y122 HydrophobicContact CG1-CE1 4.44Å; V84-Y122 HydrophobicContact CG1-CG 4.17Å; V84-Y122 VanDerWaalsContact CG2-O 3.28Å; V84-Y122 WeakPolarHBondContact CG2-O 3.34Å |
| 85 | S | 74.6 | Confident | 80.3 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 53% | 0.531 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 175.8 | -161.9 | 0 | 0 | 0 | 0 | 112.3 | V81 Q82 A87 F88 E89 | V81-S85 WeakPolarHBondContact O-CB 3.49Å; V81-S85 PolarHBondContact O-N 2.91Å; Q82-S85 CarbonylContact O-C 3.57Å; Q82-S85 WeakPolarHBondContact O-CA 3.36Å; Q82-S85 WeakPolarHBondContact O-CB 3.37Å; Q82-S85 PolarHBondContact O-N 3.27Å; S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 PolarHBondContact O-N 3.19Å; S85-F88 WeakPolarHBondContact O-CB 3.33Å; S85-F88 PolarHBondContact O-N 3.33Å; S85-E89 PolarHBondContact O-N 2.89Å |
| 86 | A | 75.8 | Confident | 80.6 | Confident | 51 Ų | 51 | 69 Ų | 69 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q82 F88 E89 | Q82-A86 WeakPolarHBondContact O-CB 3.44Å; Q82-A86 PolarHBondContact O-N 3.49Å; A86-F88 PolarHBondContact O-N 3.34Å; A86-E89 VanDerWaalsContact O-CB 3.31Å; A86-E89 WeakPolarHBondContact O-CB 3.28Å; A86-E89 PolarHBondContact O-N 3.04Å |
| 87 | A | 71.8 | Confident | 80.7 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A83 V84 S85 G142 | A83-A87 PolarHBondContact O-N 2.66Å; V84-A87 PolarHBondContact O-N 3.28Å; S85-A87 VanDerWaalsContact C-N 3.26Å; S85-A87 PolarHBondContact O-N 3.19Å; A87-G142 PolarHBondContact O-N 3.41Å |
| 88 | F | 79 | Confident | 81.1 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -4.3 | 175 | -48.3 | -50.3 | 0 | 0 | 0 | 113.2 | V84 S85 A86 G90 A91 I121 Y122 F138 G140 F141 | V84-F88 HydrophobicContact CG1-CE2 3.53Å; V84-F88 HydrophobicContact CG1-CZ 3.69Å; V84-F88 WeakPolarHBondContact O-CD2 3.41Å; V84-F88 WeakPolarHBondContact O-CE2 3.29Å; S85-F88 WeakPolarHBondContact O-CB 3.33Å; S85-F88 PolarHBondContact O-N 3.33Å; A86-F88 PolarHBondContact O-N 3.34Å; F88-G90 PolarHBondContact O-N 3.15Å; F88-G90 VanDerWaalsContact O-N 3.11Å; F88-A91 WeakPolarHBondContact O-CB 3.43Å; F88-A91 PolarHBondContact O-N 2.56Å; F88-I121 HydrophobicContact CE1-CG2 4.24Å; F88-I121 HydrophobicContact CZ-CG2 3.94Å; F88-Y122 HydrophobicContact CD2-CE1 4.31Å; F88-Y122 AromaticContact CE2-CD1 3.6Å; F88-Y122 HydrophobicContact CE2-CD1 3.6Å; F88-Y122 AromaticContact CE2-CE1 3.34Å; F88-Y122 HydrophobicContact CE2-CE1 3.34Å; F88-Y122 AromaticContact CZ-CD1 3.87Å; F88-Y122 HydrophobicContact CZ-CD1 3.87Å; F88-Y122 AromaticContact CZ-CE1 3.85Å; F88-Y122 HydrophobicContact CZ-CE1 3.85Å; F88-F138 HydrophobicContact CD1-CD2 4.26Å; F88-F138 AromaticContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CE1-CD2 4.01Å; F88-F138 AromaticContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CE1-CE2 3.49Å; F88-F138 VanDerWaalsContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CZ-CD2 4.33Å; F88-F138 HydrophobicContact CZ-CE2 4.19Å; F88-G140 WeakPolarHBondContact CD1-O 3.4Å; F88-F141 AromaticContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CE1 4.33Å; F88-F141 AromaticContact CE1-CD1 3.59Å; F88-F141 HydrophobicContact CE1-CD1 3.59Å; F88-F141 AromaticContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CZ-CE1 4.42Å |
| 89 | E | 68.2 | Low | 81.3 | Confident | 165 Ų | 165 | 57.7 Ų | 57.7 | 77% | 0.771 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 102.6 | 178.3 | -157.3 | 160.8 | -155.3 | 0 | 0 | 107.6 | S85 A86 | S85-E89 PolarHBondContact O-N 2.89Å; A86-E89 VanDerWaalsContact O-CB 3.31Å; A86-E89 WeakPolarHBondContact O-CB 3.28Å; A86-E89 PolarHBondContact O-N 3.04Å |
| 90 | G | 72.2 | Confident | 81.5 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 56% | 0.557 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116 | 3.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F88 T92 | F88-G90 PolarHBondContact O-N 3.15Å; F88-G90 VanDerWaalsContact O-N 3.11Å; G90-T92 PolarHBondContact O-N 3.06Å |
| 91 | A | 79.3 | Confident | 81.7 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | trans | -64.8 | 116.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F88 R139 G140 | F88-A91 WeakPolarHBondContact O-CB 3.43Å; F88-A91 PolarHBondContact O-N 2.56Å; A91-R139 HydrophobicContact CB-CB 4.08Å; A91-G140 WeakPolarHBondContact CB-O 3.44Å | ||
| 92 | T | 79.9 | Confident | 82.2 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 64% | 0.638 | 33% | 0.327 | S | S | * | . | trans | -94.1 | 10.5 | -178.1 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | G90 K193 | G90-T92 PolarHBondContact O-N 3.06Å; T92-K193 WeakPolarHBondContact OG1-CE 3.13Å | ||
| 93 | G | 84.4 | Confident | 82.7 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -90.7 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R139 | G93-R139 CarbonylContact C-O 3.55Å; G93-R139 WeakPolarHBondContact CA-O 3.46Å; G93-R139 PolarHBondContact N-O 2.95Å; G93-R139 PolarHBondContact O-NE 2.94Å; G93-R139 PolarHBondContact O-NH2 3.17Å |
| 94 | T | 88.3 | Confident | 83.3 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | trans | -79.6 | 140.9 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 110.1 | L96 P194 | T94-L96 PolarHBondContact O-N 3.43Å; T94-P194 PolarHBondContact N-O 3.01Å; T94-P194 WeakPolarHBondContact O-CG 3.22Å; T94-P194 PolarHBondContact OG1-O 2.88Å | ||
| 95 | A | 90.9 | Very high | 84 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | trans | -65.7 | 138.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G97 E98 I99 F138 R139 | A95-G97 PolarHBondContact O-N 2.81Å; A95-E98 HydrophobicContact CB-CB 4.44Å; A95-E98 HydrophobicContact CB-CG 3.93Å; A95-E98 PolarHBondContact N-OE2 3.21Å; A95-E98 WeakPolarHBondContact O-CB 3.48Å; A95-E98 PolarHBondContact O-N 3.04Å; A95-I99 PolarHBondContact O-N 2.9Å; A95-F138 WeakPolarHBondContact CA-O 3.48Å; A95-R139 HydrophobicContact CB-CG 4.02Å | ||
| 96 | L | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.2 | 178.1 | -64.4 | -174.5 | 0 | 0 | 0 | 113 | T94 I99 I102 I106 L135 F138 L172 F190 P194 | T94-L96 PolarHBondContact O-N 3.43Å; L96-I99 HydrophobicContact CD2-CD1 4.48Å; L96-I102 HydrophobicContact CB-CG2 4.14Å; L96-I102 HydrophobicContact CD2-CD1 4.1Å; L96-I102 HydrophobicContact CD2-CG2 4.44Å; L96-I106 HydrophobicContact CB-CD1 4.35Å; L96-L135 WeakPolarHBondContact CB-O 3.3Å; L96-F138 HydrophobicContact CD1-CB 4.29Å; L96-F138 HydrophobicContact CD1-CD1 3.69Å; L96-F138 HydrophobicContact CD1-CG 4.45Å; L96-F138 HydrophobicContact CG-CB 4.45Å; L96-F138 HydrophobicContact CG-CD1 3.91Å; L96-F138 PolarHBondContact N-O 3.49Å; L96-L172 HydrophobicContact CD1-CD2 4.06Å; L96-L172 HydrophobicContact CD2-CD2 4.46Å; L96-F190 HydrophobicContact CD2-CE1 3.78Å; L96-F190 HydrophobicContact CD2-CZ 4.01Å; L96-P194 HydrophobicContact CD2-CB 3.75Å; L96-P194 HydrophobicContact CD2-CG 4.43Å |
| 97 | G | 89.1 | Confident | 85.6 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -27.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | A95 I99 R136 | A95-G97 PolarHBondContact O-N 2.81Å; G97-I99 VanDerWaalsContact C-N 3.29Å; G97-R136 PolarHBondContact N-O 2.77Å |
| 98 | E | 90.2 | Very high | 86.5 | Confident | 114 Ų | 114 | 56.9 Ų | 56.9 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -21.7 | 178.7 | -68.7 | 161.5 | -165.6 | 0 | 0 | 110.7 | A95 P100 R139 | A95-E98 HydrophobicContact CB-CB 4.44Å; A95-E98 HydrophobicContact CB-CG 3.93Å; A95-E98 PolarHBondContact N-OE2 3.21Å; A95-E98 WeakPolarHBondContact O-CB 3.48Å; A95-E98 PolarHBondContact O-N 3.04Å; E98-P100 WeakPolarHBondContact O-CD 3.36Å; E98-R139 IonicContact OE1-CZ 2.78Å; E98-R139 IonicContact OE1-NH1 3.65Å; E98-R139 PolarHBondContact OE1-NH1 3.31Å; E98-R139 IonicContact OE2-NH1 2.81Å; E98-R139 IonicContact OE2-NH2 2.94Å |
| 99 | I | 89.2 | Confident | 87.1 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -82.2 | 109 | 178.5 | -57.7 | 172.1 | 0 | 0 | 0 | 109.5 | A95 L96 G97 L101 I102 E103 A196 V199 | A95-I99 PolarHBondContact O-N 2.9Å; L96-I99 HydrophobicContact CD2-CD1 4.48Å; G97-I99 VanDerWaalsContact C-N 3.29Å; I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 2.83Å; I99-I102 HydrophobicContact CB-CB 4.23Å; I99-I102 HydrophobicContact CB-CD1 4.36Å; I99-I102 HydrophobicContact CB-CG1 4.4Å; I99-I102 HydrophobicContact CD1-CD1 3.91Å; I99-I102 HydrophobicContact CG2-CB 4.13Å; I99-I102 HydrophobicContact CG2-CD1 4.01Å; I99-I102 HydrophobicContact CG2-CG1 3.87Å; I99-I102 PolarHBondContact O-N 3.43Å; I99-I102 VanDerWaalsContact O-N 3.15Å; I99-E103 WeakPolarHBondContact O-CB 3.4Å; I99-E103 PolarHBondContact O-N 2.98Å; I99-A196 HydrophobicContact CG1-CB 4.31Å; I99-V199 HydrophobicContact CG2-CG2 4Å |
| 100 | P | 88.3 | Confident | 88.2 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 61% | 0.61 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.3 | -35.3 | -169.5 | -25.1 | 36 | 0 | 0 | 0 | 114 | E98 A104 | E98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-A104 VanDerWaalsContact O-CB 3.26Å; P100-A104 WeakPolarHBondContact O-CB 3.33Å; P100-A104 PolarHBondContact O-N 3Å |
| 101 | L | 87.2 | Confident | 89.1 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 41% | 0.414 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 179.3 | -66.4 | 177.7 | 0 | 0 | 0 | 111.8 | I99 S105 N173 V199 | I99-L101 VanDerWaalsContact C-N 3.31Å; I99-L101 PolarHBondContact O-N 2.83Å; L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.38Å; L101-S105 VanDerWaalsContact O-N 3.1Å; L101-N173 PolarHBondContact O-ND2 2.89Å; L101-V199 HydrophobicContact CB-CG1 4.16Å; L101-V199 HydrophobicContact CD1-CG1 3.85Å |
| 102 | I | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.7 | -41 | 179.5 | -63.1 | -179.5 | 0 | 0 | 0 | 109.6 | L96 I99 A104 S105 I106 L172 F190 V199 | L96-I102 HydrophobicContact CB-CG2 4.14Å; L96-I102 HydrophobicContact CD2-CD1 4.1Å; L96-I102 HydrophobicContact CD2-CG2 4.44Å; I99-I102 HydrophobicContact CB-CB 4.23Å; I99-I102 HydrophobicContact CB-CD1 4.36Å; I99-I102 HydrophobicContact CB-CG1 4.4Å; I99-I102 HydrophobicContact CD1-CD1 3.91Å; I99-I102 HydrophobicContact CG2-CB 4.13Å; I99-I102 HydrophobicContact CG2-CD1 4.01Å; I99-I102 HydrophobicContact CG2-CG1 3.87Å; I99-I102 PolarHBondContact O-N 3.43Å; I99-I102 VanDerWaalsContact O-N 3.15Å; I102-A104 PolarHBondContact O-N 2.96Å; I102-S105 CarbonylContact O-C 3.55Å; I102-S105 WeakPolarHBondContact O-CA 3.33Å; I102-S105 WeakPolarHBondContact O-CB 3.28Å; I102-S105 PolarHBondContact O-N 3.08Å; I102-S105 VanDerWaalsContact O-N 3.09Å; I102-I106 HydrophobicContact CG2-CD1 3.69Å; I102-I106 HydrophobicContact CG2-CG1 4.1Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 3.28Å; I102-L172 HydrophobicContact CG2-CD2 4.19Å; I102-F190 HydrophobicContact CD1-CE1 4.1Å; I102-F190 HydrophobicContact CD1-CE2 4.32Å; I102-F190 HydrophobicContact CD1-CZ 3.43Å; I102-F190 VanDerWaalsContact CD1-CZ 3.43Å; I102-V199 HydrophobicContact CD1-CG2 3.72Å; I102-V199 HydrophobicContact CG1-CG1 4.43Å; I102-V199 HydrophobicContact CG1-CG2 4.19Å |
| 103 | E | 91.2 | Very high | 90.2 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 176.7 | -160 | -145.5 | 168.4 | 0 | 0 | 111.7 | I99 S105 I106 R107 R136 | I99-E103 WeakPolarHBondContact O-CB 3.4Å; I99-E103 PolarHBondContact O-N 2.98Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.2Å; E103-I106 PolarHBondContact O-N 3.41Å; E103-R107 WeakPolarHBondContact O-CB 3.47Å; E103-R107 PolarHBondContact O-N 3.32Å; E103-R136 IonicContact OE1-CZ 3.5Å; E103-R136 IonicContact OE1-NE 3.61Å; E103-R136 IonicContact OE1-NH2 3.72Å; E103-R136 PolarHBondContact OE1-NH2 3.15Å |
| 104 | A | 91.6 | Very high | 90.6 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P100 I102 K108 | P100-A104 VanDerWaalsContact O-CB 3.26Å; P100-A104 WeakPolarHBondContact O-CB 3.33Å; P100-A104 PolarHBondContact O-N 3Å; I102-A104 PolarHBondContact O-N 2.96Å; A104-K108 WeakPolarHBondContact O-CG 3.43Å; A104-K108 PolarHBondContact O-N 3.33Å; A104-K108 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 91.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 112 | L101 I102 E103 R107 K108 A109 I171 | L101-S105 WeakPolarHBondContact O-CB 3.4Å; L101-S105 PolarHBondContact O-N 3.38Å; L101-S105 VanDerWaalsContact O-N 3.1Å; I102-S105 CarbonylContact O-C 3.55Å; I102-S105 WeakPolarHBondContact O-CA 3.33Å; I102-S105 WeakPolarHBondContact O-CB 3.28Å; I102-S105 PolarHBondContact O-N 3.08Å; I102-S105 VanDerWaalsContact O-N 3.09Å; E103-S105 VanDerWaalsContact C-N 3.27Å; E103-S105 PolarHBondContact O-N 3.2Å; S105-R107 PolarHBondContact O-N 2.9Å; S105-K108 CarbonylContact O-C 3.37Å; S105-K108 PolarHBondContact O-N 2.99Å; S105-K108 VanDerWaalsContact O-N 3.09Å; S105-A109 WeakPolarHBondContact O-CB 3.49Å; S105-A109 PolarHBondContact O-N 3.41Å; S105-I171 WeakPolarHBondContact CB-O 3.48Å; S105-I171 WeakPolarHBondContact OG-CA 3.4Å; S105-I171 PolarHBondContact OG-O 3.02Å |
| 106 | I | 92.9 | Very high | 90.8 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 175.1 | -68.4 | 169.6 | 0 | 0 | 0 | 110.8 | L96 I102 E103 L114 R132 L135 I171 | L96-I106 HydrophobicContact CB-CD1 4.35Å; I102-I106 HydrophobicContact CG2-CD1 3.69Å; I102-I106 HydrophobicContact CG2-CG1 4.1Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 3.28Å; E103-I106 PolarHBondContact O-N 3.41Å; I106-L114 HydrophobicContact CB-CD2 4.5Å; I106-L114 HydrophobicContact CG2-CD2 4.09Å; I106-R132 HydrophobicContact CG2-CG 4.44Å; I106-L135 HydrophobicContact CD1-CB 4.23Å; I106-I171 HydrophobicContact CG1-CG2 4.14Å |
| 107 | R | 91.6 | Very high | 90.9 | Very high | 164 Ų | 164 | 57.7 Ų | 57.7 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 177 | -164.6 | 172.3 | 80.1 | -151.5 | 9.4 | 112.6 | E103 S105 | E103-R107 WeakPolarHBondContact O-CB 3.47Å; E103-R107 PolarHBondContact O-N 3.32Å; S105-R107 PolarHBondContact O-N 2.9Å |
| 108 | K | 90.9 | Very high | 91.1 | Very high | 168 Ų | 168 | 57.3 Ų | 57.3 | 73% | 0.73 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -90.8 | -20.7 | -178.1 | -68.8 | 175.6 | -178.3 | 178.2 | 0 | 114.1 | A104 S105 | A104-K108 WeakPolarHBondContact O-CG 3.43Å; A104-K108 PolarHBondContact O-N 3.33Å; A104-K108 VanDerWaalsContact O-N 3.15Å; S105-K108 CarbonylContact O-C 3.37Å; S105-K108 PolarHBondContact O-N 2.99Å; S105-K108 VanDerWaalsContact O-N 3.09Å |
| 109 | A | 91.1 | Very high | 91.2 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -65.1 | 148.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S105 L114 I171 | S105-A109 WeakPolarHBondContact O-CB 3.49Å; S105-A109 PolarHBondContact O-N 3.41Å; A109-L114 HydrophobicContact CB-CD1 4.48Å; A109-L114 HydrophobicContact CB-CD2 3.87Å; A109-L114 HydrophobicContact CB-CG 3.96Å; A109-I171 HydrophobicContact CB-CD1 4.33Å; A109-I171 HydrophobicContact CB-CG1 4.07Å |
| 110 | K | 91.3 | Very high | 91.3 | Very high | 152 Ų | 152 | 54 Ų | 54 | 66% | 0.661 | 28% | 0.283 | S | S | * | . | trans | -67.3 | 146.9 | 176.9 | -66.9 | 176.2 | -178.4 | 170.9 | 0 | 110.1 | A112 S113 L114 | K110-A112 PolarHBondContact O-N 3.09Å; K110-A112 VanDerWaalsContact O-N 3.16Å; K110-S113 WeakPolarHBondContact O-CB 3.25Å; K110-S113 PolarHBondContact O-N 3.31Å; K110-S113 VanDerWaalsContact O-N 3.1Å; K110-L114 WeakPolarHBondContact O-CG 3.14Å; K110-L114 PolarHBondContact O-N 2.9Å | ||
| 111 | P | 90.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -26.9 | 178.3 | 24.9 | -34.3 | 0 | 0 | 0 | 112.9 | K115 | P111-K115 WeakPolarHBondContact O-CB 3.29Å; P111-K115 VanDerWaalsContact O-CG 3.23Å; P111-K115 WeakPolarHBondContact O-CG 3.48Å; P111-K115 PolarHBondContact O-N 2.96Å |
| 112 | A | 90.8 | Very high | 91.6 | Very high | 63 Ų | 63 | 46.6 Ų | 46.6 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -46 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K110 L114 K115 S116 | K110-A112 PolarHBondContact O-N 3.09Å; K110-A112 VanDerWaalsContact O-N 3.16Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 3.02Å; A112-K115 WeakPolarHBondContact O-CB 3.32Å; A112-K115 PolarHBondContact O-N 2.79Å; A112-S116 PolarHBondContact O-N 2.81Å; A112-S116 VanDerWaalsContact O-N 3.12Å; A112-S116 PolarHBondContact O-OG 3.12Å |
| 113 | S | 91.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.9 | -43.9 | 0 | 0 | 0 | 0 | 111.2 | K110 K115 S116 L117 E167 I171 | K110-S113 WeakPolarHBondContact O-CB 3.25Å; K110-S113 PolarHBondContact O-N 3.31Å; K110-S113 VanDerWaalsContact O-N 3.1Å; S113-K115 PolarHBondContact O-N 3.39Å; S113-S116 WeakPolarHBondContact O-CB 3.44Å; S113-S116 PolarHBondContact O-N 3.04Å; S113-L117 PolarHBondContact O-N 3.5Å; S113-E167 WeakPolarHBondContact CB-OE1 3.45Å; S113-E167 PolarHBondContact OG-OE1 3.5Å; S113-I171 VanDerWaalsContact CB-CD1 3.41Å |
| 114 | L | 92.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -36 | 176.4 | -66.8 | 176.6 | 0 | 0 | 0 | 112.9 | I106 A109 K110 A112 S116 L117 H118 I131 R132 L135 | I106-L114 HydrophobicContact CB-CD2 4.5Å; I106-L114 HydrophobicContact CG2-CD2 4.09Å; A109-L114 HydrophobicContact CB-CD1 4.48Å; A109-L114 HydrophobicContact CB-CD2 3.87Å; A109-L114 HydrophobicContact CB-CG 3.96Å; K110-L114 WeakPolarHBondContact O-CG 3.14Å; K110-L114 PolarHBondContact O-N 2.9Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 3.02Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-L117 PolarHBondContact O-N 3.36Å; L114-H118 VanDerWaalsContact O-CB 3.31Å; L114-H118 WeakPolarHBondContact O-CB 3.44Å; L114-H118 PolarHBondContact O-N 3.21Å; L114-I131 HydrophobicContact CB-CG2 3.68Å; L114-R132 HydrophobicContact CD1-CG 3.88Å; L114-L135 HydrophobicContact CB-CD1 4.33Å; L114-L135 HydrophobicContact CD2-CD1 3.71Å |
| 115 | K | 92.3 | Very high | 91.1 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 44% | 0.443 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 172.6 | -78.1 | 169 | -175.4 | 175.7 | 0 | 111.5 | P111 A112 S113 H118 L119 I131 | P111-K115 WeakPolarHBondContact O-CB 3.29Å; P111-K115 VanDerWaalsContact O-CG 3.23Å; P111-K115 WeakPolarHBondContact O-CG 3.48Å; P111-K115 PolarHBondContact O-N 2.96Å; A112-K115 WeakPolarHBondContact O-CB 3.32Å; A112-K115 PolarHBondContact O-N 2.79Å; S113-K115 PolarHBondContact O-N 3.39Å; K115-H118 PolarHBondContact O-N 3.47Å; K115-L119 WeakPolarHBondContact O-CB 3.44Å; K115-L119 PolarHBondContact O-N 2.94Å; K115-I131 HydrophobicContact CB-CD1 4.47Å; K115-I131 HydrophobicContact CG-CD1 3.53Å |
| 116 | S | 92.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 178.6 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | A112 S113 L114 L119 I120 | A112-S116 PolarHBondContact O-N 2.81Å; A112-S116 VanDerWaalsContact O-N 3.12Å; A112-S116 PolarHBondContact O-OG 3.12Å; S113-S116 WeakPolarHBondContact O-CB 3.44Å; S113-S116 PolarHBondContact O-N 3.04Å; L114-S116 VanDerWaalsContact C-N 3.33Å; S116-L119 PolarHBondContact O-N 3.33Å; S116-I120 WeakPolarHBondContact O-CG1 3.17Å; S116-I120 PolarHBondContact O-N 2.61Å; S116-I120 VanDerWaalsContact O-N 3.15Å |
| 117 | L | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.4 | 178.9 | 55.4 | 0 | 0 | 0 | 112.4 | S113 L114 L119 I120 I121 L135 V168 I171 L172 | S113-L117 PolarHBondContact O-N 3.5Å; L114-L117 PolarHBondContact O-N 3.36Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 PolarHBondContact O-N 3.49Å; L117-I120 PolarHBondContact O-N 3.39Å; L117-I121 HydrophobicContact CD1-CD1 3.65Å; L117-I121 HydrophobicContact CD1-CG1 4.16Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I121 VanDerWaalsContact O-N 3.12Å; L117-L135 HydrophobicContact CD2-CD1 4Å; L117-L135 HydrophobicContact CD2-CD2 3.97Å; L117-L135 HydrophobicContact CG-CD1 4.32Å; L117-L135 HydrophobicContact CG-CD2 3.74Å; L117-V168 HydrophobicContact CB-CG2 4.14Å; L117-V168 HydrophobicContact CD1-CG1 3.71Å; L117-V168 HydrophobicContact CD1-CG2 4.46Å; L117-I171 HydrophobicContact CD2-CG2 3.95Å; L117-L172 HydrophobicContact CD1-CD1 4.31Å; L117-L172 HydrophobicContact CD2-CD2 4.17Å |
| 118 | H | 93.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 178.3 | -174.8 | -62 | 0 | 0 | 0 | 111.8 | L114 K115 Y122 R124 G126 I131 L135 | L114-H118 VanDerWaalsContact O-CB 3.31Å; L114-H118 WeakPolarHBondContact O-CB 3.44Å; L114-H118 PolarHBondContact O-N 3.21Å; K115-H118 PolarHBondContact O-N 3.47Å; H118-Y122 AromaticContact CD2-CD2 3.89Å; H118-Y122 AromaticContact CE1-CD2 3.74Å; H118-Y122 AromaticContact CE1-CG 3.87Å; H118-Y122 AromaticContact CG-CD2 3.97Å; H118-Y122 AromaticContact ND1-CD2 3.88Å; H118-Y122 AromaticContact NE2-CD2 3.81Å; H118-Y122 WeakPolarHBondContact O-CB 3.31Å; H118-Y122 PolarHBondContact O-N 3.21Å; H118-R124 PolarHBondContact CE1-O 3.03Å; H118-R124 PolarHBondContact ND1-O 3.1Å; H118-G126 PolarHBondContact ND1-N 3.37Å; H118-I131 HydrophobicContact CB-CG1 4.29Å; H118-I131 HydrophobicContact CB-CG2 4.18Å; H118-L135 HydrophobicContact CB-CD2 4.49Å |
| 119 | L | 91.5 | Very high | 90 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 177.2 | -174.9 | 64.6 | 0 | 0 | 0 | 111.6 | K115 S116 L117 G123 | K115-L119 WeakPolarHBondContact O-CB 3.44Å; K115-L119 PolarHBondContact O-N 2.94Å; S116-L119 PolarHBondContact O-N 3.33Å; L117-L119 VanDerWaalsContact C-N 3.28Å; L117-L119 PolarHBondContact O-N 3.49Å; L119-G123 WeakPolarHBondContact O-CA 3.49Å; L119-G123 PolarHBondContact O-N 2.79Å |
| 120 | I | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 178.2 | -67.3 | 175 | 0 | 0 | 0 | 111.6 | S116 L117 K153 I157 V168 L187 L191 | S116-I120 WeakPolarHBondContact O-CG1 3.17Å; S116-I120 PolarHBondContact O-N 2.61Å; S116-I120 VanDerWaalsContact O-N 3.15Å; L117-I120 PolarHBondContact O-N 3.39Å; I120-K153 PolarHBondContact O-NZ 2.9Å; I120-I157 HydrophobicContact CG2-CD1 4.36Å; I120-I157 HydrophobicContact CG2-CG1 4.03Å; I120-V168 HydrophobicContact CD1-CB 4.43Å; I120-V168 HydrophobicContact CD1-CG1 4.37Å; I120-V168 HydrophobicContact CD1-CG2 3.82Å; I120-L187 HydrophobicContact CD1-CD2 4.14Å; I120-L187 HydrophobicContact CG2-CD2 4.37Å; I120-L191 HydrophobicContact CG2-CD1 4.15Å |
| 121 | I | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -57.4 | -176.3 | -64.9 | 171 | 0 | 0 | 0 | 110.4 | F88 L117 L135 F138 K153 L191 | F88-I121 HydrophobicContact CE1-CG2 4.24Å; F88-I121 HydrophobicContact CZ-CG2 3.94Å; L117-I121 HydrophobicContact CD1-CD1 3.65Å; L117-I121 HydrophobicContact CD1-CG1 4.16Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 PolarHBondContact O-N 3.21Å; L117-I121 VanDerWaalsContact O-N 3.12Å; I121-L135 HydrophobicContact CD1-CD2 3.74Å; I121-F138 HydrophobicContact CD1-CD1 4.07Å; I121-F138 HydrophobicContact CD1-CE1 4.29Å; I121-F138 HydrophobicContact CD1-CG 4.3Å; I121-F138 HydrophobicContact CG2-CD2 3.46Å; I121-F138 VanDerWaalsContact CG2-CD2 3.46Å; I121-F138 HydrophobicContact CG2-CE2 3.49Å; I121-F138 VanDerWaalsContact CG2-CE2 3.49Å; I121-F138 HydrophobicContact CG2-CG 4.01Å; I121-F138 HydrophobicContact CG2-CZ 4.04Å; I121-K153 PolarHBondContact O-NZ 3.45Å; I121-L191 HydrophobicContact CD1-CD2 4.06Å; I121-L191 HydrophobicContact CG1-CD1 4.32Å; I121-L191 HydrophobicContact CG1-CD2 4.04Å |
| 122 | Y | 90.2 | Very high | 90.1 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -94.9 | -2.1 | -169.8 | -64.7 | -85.8 | 0 | 0 | 0 | 114.2 | V84 F88 H118 R124 S134 | V84-Y122 HydrophobicContact CG1-CD1 3.5Å; V84-Y122 HydrophobicContact CG1-CE1 4.44Å; V84-Y122 HydrophobicContact CG1-CG 4.17Å; V84-Y122 VanDerWaalsContact CG2-O 3.28Å; V84-Y122 WeakPolarHBondContact CG2-O 3.34Å; F88-Y122 HydrophobicContact CD2-CE1 4.31Å; F88-Y122 AromaticContact CE2-CD1 3.6Å; F88-Y122 HydrophobicContact CE2-CD1 3.6Å; F88-Y122 AromaticContact CE2-CE1 3.34Å; F88-Y122 HydrophobicContact CE2-CE1 3.34Å; F88-Y122 AromaticContact CZ-CD1 3.87Å; F88-Y122 HydrophobicContact CZ-CD1 3.87Å; F88-Y122 AromaticContact CZ-CE1 3.85Å; F88-Y122 HydrophobicContact CZ-CE1 3.85Å; H118-Y122 AromaticContact CD2-CD2 3.89Å; H118-Y122 AromaticContact CE1-CD2 3.74Å; H118-Y122 AromaticContact CE1-CG 3.87Å; H118-Y122 AromaticContact CG-CD2 3.97Å; H118-Y122 AromaticContact ND1-CD2 3.88Å; H118-Y122 AromaticContact NE2-CD2 3.81Å; H118-Y122 WeakPolarHBondContact O-CB 3.31Å; H118-Y122 PolarHBondContact O-N 3.21Å; Y122-R124 PolarHBondContact O-N 2.71Å; Y122-S134 VanDerWaalsContact CE2-OG 3.28Å; Y122-S134 WeakPolarHBondContact CE2-OG 3.39Å; Y122-S134 PolarHBondContact OH-O 3.02Å; Y122-S134 PolarHBondContact OH-OG 2.98Å; Y122-S134 VanDerWaalsContact OH-OG 3.1Å |
| 123 | G | 88.4 | Confident | 90.1 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 66.1 | 4.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L119 | L119-G123 WeakPolarHBondContact O-CA 3.49Å; L119-G123 PolarHBondContact O-N 2.79Å |
| 124 | R | 86.8 | Confident | 90.1 | Very high | 67 Ų | 67 | 50 Ų | 50 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -134.9 | 145.4 | -173.7 | 71 | -166.5 | -178 | -131.7 | 4 | 111.2 | V81 H118 Y122 G126 | V81-R124 VanDerWaalsContact CA-NH1 3.33Å; H118-R124 PolarHBondContact CE1-O 3.03Å; H118-R124 PolarHBondContact ND1-O 3.1Å; Y122-R124 PolarHBondContact O-N 2.71Å; R124-G126 PolarHBondContact O-N 3.07Å |
| 125 | P | 86.6 | Confident | 90.1 | Very high | 107 Ų | 107 | 49.9 Ų | 49.9 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 119.7 | 170.2 | 28.8 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 126 | G | 84.1 | Confident | 90.1 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 158.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H118 R124 I131 | H118-G126 PolarHBondContact ND1-N 3.37Å; R124-G126 PolarHBondContact O-N 3.07Å; G126-I131 VanDerWaalsContact C-CD1 3.5Å; G126-I131 WeakPolarHBondContact O-CD1 3.42Å |
| 127 | S | 87.1 | Confident | 90 | Very high | 73 Ų | 73 | 57.1 Ų | 57.1 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 139.7 | 167.7 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | S129 K130 I131 | S127-S129 PolarHBondContact O-N 3.47Å; S127-K130 PolarHBondContact O-N 3.15Å; S127-I131 VanDerWaalsContact O-CG1 3.22Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 3.48Å |
| 128 | A | 86.2 | Confident | 89.9 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51.3 | -37 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 129 | S | 87.7 | Confident | 89.7 | Confident | 103 Ų | 103 | 62 Ų | 62 | 72% | 0.72 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.5 | -31.9 | 178.8 | -45 | 0 | 0 | 0 | 0 | 113.2 | S127 | S127-S129 PolarHBondContact O-N 3.47Å |
| 130 | K | 88.8 | Confident | 89.7 | Confident | 158 Ų | 158 | 59.8 Ų | 59.8 | 69% | 0.687 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -94.8 | -21.3 | -177.3 | -66.6 | -173.8 | -179.9 | -178.7 | 0 | 113.2 | S127 R132 S133 S134 | S127-K130 PolarHBondContact O-N 3.15Å; K130-R132 PolarHBondContact O-N 3.16Å; K130-S133 PolarHBondContact O-N 2.72Å; K130-S134 WeakPolarHBondContact O-CB 3.46Å; K130-S134 PolarHBondContact O-N 3.22Å |
| 131 | I | 93.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -49.7 | -175 | -76 | 160.9 | 0 | 0 | 0 | 111.6 | L114 K115 H118 G126 S127 S133 S134 L135 | L114-I131 HydrophobicContact CB-CG2 3.68Å; K115-I131 HydrophobicContact CB-CD1 4.47Å; K115-I131 HydrophobicContact CG-CD1 3.53Å; H118-I131 HydrophobicContact CB-CG1 4.29Å; H118-I131 HydrophobicContact CB-CG2 4.18Å; G126-I131 VanDerWaalsContact C-CD1 3.5Å; G126-I131 WeakPolarHBondContact O-CD1 3.42Å; S127-I131 VanDerWaalsContact O-CG1 3.22Å; S127-I131 WeakPolarHBondContact O-CG1 3.36Å; S127-I131 PolarHBondContact O-N 3.48Å; I131-S133 PolarHBondContact O-N 3.12Å; I131-S134 PolarHBondContact O-N 3.27Å; I131-L135 HydrophobicContact CG2-CD1 3.62Å; I131-L135 HydrophobicContact CG2-CG 4.21Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 2.85Å |
| 132 | R | 92 | Very high | 89.2 | Confident | 127 Ų | 127 | 61.5 Ų | 61.5 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | -178.3 | -68.4 | -178.5 | -175.9 | 139.8 | -2 | 111.7 | I106 L114 K130 S134 L135 R136 | I106-R132 HydrophobicContact CG2-CG 4.44Å; L114-R132 HydrophobicContact CD1-CG 3.88Å; K130-R132 PolarHBondContact O-N 3.16Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 3.13Å; R132-L135 PolarHBondContact O-N 3.15Å; R132-R136 WeakPolarHBondContact O-CB 3.19Å; R132-R136 PolarHBondContact O-N 2.97Å |
| 133 | S | 92.2 | Very high | 89.1 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 179.1 | -51.2 | 0 | 0 | 0 | 0 | 112.3 | K130 I131 K137 | K130-S133 PolarHBondContact O-N 2.72Å; I131-S133 PolarHBondContact O-N 3.12Å; S133-K137 WeakPolarHBondContact O-CG 3.44Å; S133-K137 PolarHBondContact O-N 3.21Å |
| 134 | S | 91 | Very high | 88.9 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.8 | -48.2 | 176.4 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | Y122 K130 I131 R132 R136 K137 F138 | Y122-S134 VanDerWaalsContact CE2-OG 3.28Å; Y122-S134 WeakPolarHBondContact CE2-OG 3.39Å; Y122-S134 PolarHBondContact OH-O 3.02Å; Y122-S134 PolarHBondContact OH-OG 2.98Å; Y122-S134 VanDerWaalsContact OH-OG 3.1Å; K130-S134 WeakPolarHBondContact O-CB 3.46Å; K130-S134 PolarHBondContact O-N 3.22Å; I131-S134 PolarHBondContact O-N 3.27Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 3.13Å; S134-R136 VanDerWaalsContact C-N 3.29Å; S134-R136 PolarHBondContact O-N 2.84Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-K137 VanDerWaalsContact O-N 3.11Å; S134-F138 PolarHBondContact O-N 3.06Å |
| 135 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 179.5 | -69.6 | 173.3 | 0 | 0 | 0 | 111.8 | L96 I106 L114 L117 H118 I121 I131 R132 K137 F138 | L96-L135 WeakPolarHBondContact CB-O 3.3Å; I106-L135 HydrophobicContact CD1-CB 4.23Å; L114-L135 HydrophobicContact CB-CD1 4.33Å; L114-L135 HydrophobicContact CD2-CD1 3.71Å; L117-L135 HydrophobicContact CD2-CD1 4Å; L117-L135 HydrophobicContact CD2-CD2 3.97Å; L117-L135 HydrophobicContact CG-CD1 4.32Å; L117-L135 HydrophobicContact CG-CD2 3.74Å; H118-L135 HydrophobicContact CB-CD2 4.49Å; I121-L135 HydrophobicContact CD1-CD2 3.74Å; I131-L135 HydrophobicContact CG2-CD1 3.62Å; I131-L135 HydrophobicContact CG2-CG 4.21Å; I131-L135 WeakPolarHBondContact O-CB 3.36Å; I131-L135 VanDerWaalsContact O-CG 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.48Å; I131-L135 PolarHBondContact O-N 2.85Å; R132-L135 PolarHBondContact O-N 3.15Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-F138 WeakPolarHBondContact O-CB 3.32Å; L135-F138 PolarHBondContact O-N 3.16Å |
| 136 | R | 91.8 | Very high | 88.7 | Confident | 123 Ų | 123 | 68 Ų | 68 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.4 | -34.2 | 176.1 | -166.8 | -176 | -84.3 | 164.9 | -10.9 | 112.8 | G97 E103 R132 S134 | G97-R136 PolarHBondContact N-O 2.77Å; E103-R136 IonicContact OE1-CZ 3.5Å; E103-R136 IonicContact OE1-NE 3.61Å; E103-R136 IonicContact OE1-NH2 3.72Å; E103-R136 PolarHBondContact OE1-NH2 3.15Å; R132-R136 WeakPolarHBondContact O-CB 3.19Å; R132-R136 PolarHBondContact O-N 2.97Å; S134-R136 VanDerWaalsContact C-N 3.29Å; S134-R136 PolarHBondContact O-N 2.84Å |
| 137 | K | 89.9 | Confident | 89 | Confident | 163 Ų | 163 | 69.1 Ų | 69.1 | 71% | 0.709 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -84.4 | -10.3 | -178.4 | -69.3 | 178 | -179.8 | -166.9 | 0 | 114 | S133 S134 L135 R139 | S133-K137 WeakPolarHBondContact O-CG 3.44Å; S133-K137 PolarHBondContact O-N 3.21Å; S134-K137 PolarHBondContact O-N 3.39Å; S134-K137 VanDerWaalsContact O-N 3.11Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-R139 PolarHBondContact O-N 3.36Å |
| 138 | F | 91.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | trans | -69.1 | 124.6 | -179.1 | 178 | -106.7 | 0 | 0 | 0 | 110.5 | F88 A95 L96 I121 S134 L135 G140 F141 L191 | F88-F138 HydrophobicContact CD1-CD2 4.26Å; F88-F138 AromaticContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CD1-CE2 3.78Å; F88-F138 HydrophobicContact CE1-CD2 4.01Å; F88-F138 AromaticContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CE1-CE2 3.49Å; F88-F138 VanDerWaalsContact CE1-CE2 3.49Å; F88-F138 HydrophobicContact CZ-CD2 4.33Å; F88-F138 HydrophobicContact CZ-CE2 4.19Å; A95-F138 WeakPolarHBondContact CA-O 3.48Å; L96-F138 HydrophobicContact CD1-CB 4.29Å; L96-F138 HydrophobicContact CD1-CD1 3.69Å; L96-F138 HydrophobicContact CD1-CG 4.45Å; L96-F138 HydrophobicContact CG-CB 4.45Å; L96-F138 HydrophobicContact CG-CD1 3.91Å; L96-F138 PolarHBondContact N-O 3.49Å; I121-F138 HydrophobicContact CD1-CD1 4.07Å; I121-F138 HydrophobicContact CD1-CE1 4.29Å; I121-F138 HydrophobicContact CD1-CG 4.3Å; I121-F138 HydrophobicContact CG2-CD2 3.46Å; I121-F138 VanDerWaalsContact CG2-CD2 3.46Å; I121-F138 HydrophobicContact CG2-CE2 3.49Å; I121-F138 VanDerWaalsContact CG2-CE2 3.49Å; I121-F138 HydrophobicContact CG2-CG 4.01Å; I121-F138 HydrophobicContact CG2-CZ 4.04Å; S134-F138 PolarHBondContact O-N 3.06Å; L135-F138 WeakPolarHBondContact O-CB 3.32Å; L135-F138 PolarHBondContact O-N 3.16Å; F138-G140 VanDerWaalsContact CE2-O 3.3Å; F138-G140 WeakPolarHBondContact CE2-O 3.22Å; F138-G140 VanDerWaalsContact CZ-C 3.49Å; F138-F141 HydrophobicContact CZ-CD2 4.34Å; F138-F141 HydrophobicContact CZ-CE2 4.35Å; F138-L191 HydrophobicContact CD1-CD2 4.45Å; F138-L191 HydrophobicContact CE1-CB 4.45Å; F138-L191 HydrophobicContact CE1-CD2 3.6Å; F138-L191 HydrophobicContact CZ-CB 4.42Å; F138-L191 HydrophobicContact CZ-CD2 4.18Å | ||
| 139 | R | 90 | Very high | 89.1 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | trans | -111.1 | 0.5 | -177.8 | -59.4 | -170.9 | 70.8 | 90.2 | 7.2 | 114 | A91 G93 A95 E98 K137 P194 | A91-R139 HydrophobicContact CB-CB 4.08Å; G93-R139 CarbonylContact C-O 3.55Å; G93-R139 WeakPolarHBondContact CA-O 3.46Å; G93-R139 PolarHBondContact N-O 2.95Å; G93-R139 PolarHBondContact O-NE 2.94Å; G93-R139 PolarHBondContact O-NH2 3.17Å; A95-R139 HydrophobicContact CB-CG 4.02Å; E98-R139 IonicContact OE1-CZ 2.78Å; E98-R139 IonicContact OE1-NH1 3.65Å; E98-R139 PolarHBondContact OE1-NH1 3.31Å; E98-R139 IonicContact OE2-NH1 2.81Å; E98-R139 IonicContact OE2-NH2 2.94Å; K137-R139 PolarHBondContact O-N 3.36Å; R139-P194 VanDerWaalsContact C-CG 3.47Å; R139-P194 WeakPolarHBondContact O-CD 3.46Å; R139-P194 VanDerWaalsContact O-CG 3.31Å; R139-P194 WeakPolarHBondContact O-CG 3.48Å | ||
| 140 | G | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | 121.3 | 177.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F88 A91 F138 L191 P194 | F88-G140 WeakPolarHBondContact CD1-O 3.4Å; A91-G140 WeakPolarHBondContact CB-O 3.44Å; F138-G140 VanDerWaalsContact CE2-O 3.3Å; F138-G140 WeakPolarHBondContact CE2-O 3.22Å; F138-G140 VanDerWaalsContact CZ-C 3.49Å; G140-L191 CarbonylContact C-O 3.59Å; G140-L191 VanDerWaalsContact CA-O 3.24Å; G140-L191 WeakPolarHBondContact CA-O 3.4Å; G140-P194 VanDerWaalsContact CA-CD 3.45Å | ||
| 141 | F | 88.6 | Confident | 89.4 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | trans | -90.7 | 143.5 | 171.3 | -70.8 | -67.9 | 0 | 0 | 0 | 110.4 | F88 F138 F143 K153 L191 L192 | F88-F141 AromaticContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CD1 3.93Å; F88-F141 HydrophobicContact CD1-CE1 4.33Å; F88-F141 AromaticContact CE1-CD1 3.59Å; F88-F141 HydrophobicContact CE1-CD1 3.59Å; F88-F141 AromaticContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CE1-CE1 3.53Å; F88-F141 HydrophobicContact CZ-CE1 4.42Å; F138-F141 HydrophobicContact CZ-CD2 4.34Å; F138-F141 HydrophobicContact CZ-CE2 4.35Å; F141-F143 VanDerWaalsContact C-N 3.31Å; F141-F143 HydrophobicContact CB-CD1 3.82Å; F141-F143 HydrophobicContact CB-CD2 4.31Å; F141-F143 HydrophobicContact CB-CE1 3.43Å; F141-F143 VanDerWaalsContact CB-CE1 3.43Å; F141-F143 HydrophobicContact CB-CE2 3.94Å; F141-F143 HydrophobicContact CB-CG 4.25Å; F141-F143 HydrophobicContact CB-CZ 3.48Å; F141-F143 VanDerWaalsContact CB-CZ 3.48Å; F141-F143 HydrophobicContact CD1-CD1 4.29Å; F141-F143 AromaticContact CD1-CE1 3.37Å; F141-F143 HydrophobicContact CD1-CE1 3.37Å; F141-F143 AromaticContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD2-CE1 4.17Å; F141-F143 HydrophobicContact CD2-CE2 4.41Å; F141-F143 AromaticContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CE1-CE1 4.12Å; F141-F143 HydrophobicContact CE1-CZ 4.36Å; F141-F143 HydrophobicContact CE2-CZ 4.3Å; F141-F143 HydrophobicContact CG-CD1 4.28Å; F141-F143 AromaticContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE1 3.41Å; F141-F143 VanDerWaalsContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE2 4.22Å; F141-F143 AromaticContact CG-CZ 3.36Å; F141-F143 HydrophobicContact CG-CZ 3.36Å; F141-K153 HydrophobicContact CZ-CD 4.34Å; F141-L191 HydrophobicContact CD2-CB 3.89Å; F141-L191 WeakPolarHBondContact CD2-O 3.43Å; F141-L191 HydrophobicContact CE2-CB 3.63Å; F141-L191 HydrophobicContact CE2-CD1 4.15Å; F141-L191 HydrophobicContact CE2-CG 4.49Å; F141-L191 PolarHBondContact N-O 3.31Å; F141-L191 VanDerWaalsContact N-O 3.1Å; F141-L192 HydrophobicContact CB-CD1 4.36Å; F141-L192 PolarHBondContact N-O 3.23Å | ||
| 142 | G | 85.8 | Confident | 89.3 | Confident | 32 Ų | 32 | 74.3 Ų | 74.3 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -84 | -1.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A87 | A87-G142 PolarHBondContact O-N 3.41Š|
| 143 | F | 87.1 | Confident | 89.3 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 7% | 0.07 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -93.8 | 158.1 | 178 | 56.9 | -106.9 | 0 | 0 | 0 | 111.8 | F141 S147 Q149 Y150 K153 L192 | F141-F143 VanDerWaalsContact C-N 3.31Å; F141-F143 HydrophobicContact CB-CD1 3.82Å; F141-F143 HydrophobicContact CB-CD2 4.31Å; F141-F143 HydrophobicContact CB-CE1 3.43Å; F141-F143 VanDerWaalsContact CB-CE1 3.43Å; F141-F143 HydrophobicContact CB-CE2 3.94Å; F141-F143 HydrophobicContact CB-CG 4.25Å; F141-F143 HydrophobicContact CB-CZ 3.48Å; F141-F143 VanDerWaalsContact CB-CZ 3.48Å; F141-F143 HydrophobicContact CD1-CD1 4.29Å; F141-F143 AromaticContact CD1-CE1 3.37Å; F141-F143 HydrophobicContact CD1-CE1 3.37Å; F141-F143 AromaticContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD1-CZ 3.74Å; F141-F143 HydrophobicContact CD2-CE1 4.17Å; F141-F143 HydrophobicContact CD2-CE2 4.41Å; F141-F143 AromaticContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CD2-CZ 3.66Å; F141-F143 HydrophobicContact CE1-CE1 4.12Å; F141-F143 HydrophobicContact CE1-CZ 4.36Å; F141-F143 HydrophobicContact CE2-CZ 4.3Å; F141-F143 HydrophobicContact CG-CD1 4.28Å; F141-F143 AromaticContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE1 3.41Å; F141-F143 VanDerWaalsContact CG-CE1 3.41Å; F141-F143 HydrophobicContact CG-CE2 4.22Å; F141-F143 AromaticContact CG-CZ 3.36Å; F141-F143 HydrophobicContact CG-CZ 3.36Å; F143-S147 WeakPolarHBondContact CB-OG 3.46Å; F143-Q149 HydrophobicContact CB-CB 4.07Å; F143-Q149 HydrophobicContact CD1-CB 3.73Å; F143-Q149 HydrophobicContact CE1-CB 4.29Å; F143-Q149 HydrophobicContact CG-CB 3.89Å; F143-Y150 HydrophobicContact CD2-CD2 4.24Å; F143-Y150 AromaticContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CG 4.4Å; F143-K153 HydrophobicContact CE1-CG 4.08Å; F143-K153 HydrophobicContact CZ-CB 4.1Å; F143-K153 HydrophobicContact CZ-CG 3.82Å; F143-L192 HydrophobicContact CD2-CD1 3.78Å; F143-L192 HydrophobicContact CE2-CD1 3.73Å; F143-L192 WeakPolarHBondContact O-CD1 3.44Å |
| 144 | E | 84.2 | Confident | 89.2 | Confident | 144 Ų | 144 | 68.2 Ų | 68.2 | 67% | 0.673 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -98.9 | 164.4 | 178 | -60.9 | -165.8 | 150.9 | 0 | 0 | 112.5 | G146 S147 Y150 | E144-G146 PolarHBondContact O-N 2.98Å; E144-S147 WeakPolarHBondContact O-CB 3.25Å; E144-S147 PolarHBondContact O-N 3.39Å; E144-S147 PolarHBondContact O-OG 2.97Å; E144-Y150 WeakPolarHBondContact O-CB 3.11Å |
| 145 | M | 85.2 | Confident | 89.3 | Confident | 151 Ų | 151 | 70.5 Ų | 70.5 | 74% | 0.744 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 121.7 | 173.8 | -173.7 | 174 | 74.8 | 0 | 0 | 109.3 | Y150 | M145-Y150 HydrophobicContact CB-CE2 4.33Å; M145-Y150 HydrophobicContact CG-CE1 4.27Å; M145-Y150 HydrophobicContact CG-CE2 4.2Å |
| 146 | G | 84.7 | Confident | 89.3 | Confident | 61 Ų | 61 | 73.1 Ų | 73.1 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.5 | -1.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | E144 | E144-G146 PolarHBondContact O-N 2.98Š|
| 147 | S | 89.7 | Confident | 89.4 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.8 | 155.6 | 169.9 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | F143 E144 Q149 Y150 E151 | F143-S147 WeakPolarHBondContact CB-OG 3.46Å; E144-S147 WeakPolarHBondContact O-CB 3.25Å; E144-S147 PolarHBondContact O-N 3.39Å; E144-S147 PolarHBondContact O-OG 2.97Å; S147-Q149 PolarHBondContact O-N 3.4Å; S147-Q149 VanDerWaalsContact O-N 3.16Å; S147-Y150 WeakPolarHBondContact O-CA 3.35Å; S147-Y150 VanDerWaalsContact O-CB 3.3Å; S147-Y150 WeakPolarHBondContact O-CB 3.44Å; S147-Y150 PolarHBondContact O-N 2.94Å; S147-Y150 WeakPolarHBondContact OG-CB 3.35Å; S147-Y150 PolarHBondContact OG-N 2.65Å; S147-E151 PolarHBondContact O-N 3.33Å |
| 148 | E | 88.8 | Confident | 89.5 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.3 | -32.5 | 174.6 | -163.2 | -157.4 | -178 | 0 | 0 | 111.8 | E151 K152 | E148-E151 PolarHBondContact O-N 3.35Å; E148-K152 HydrophobicContact CG-CD 4.45Å; E148-K152 WeakPolarHBondContact O-CB 3.29Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.14Å; E148-K152 PolarHBondContact O-N 3.02Å; E148-K152 VanDerWaalsContact O-N 3.08Å; E148-K152 WeakPolarHBondContact OE1-CE 3.42Å; E148-K152 IonicContact OE1-NZ 3.99Å; E148-K152 PolarHBondContact OE1-NZ 3.21Å; E148-K152 IonicContact OE2-NZ 3.85Å; E148-K152 PolarHBondContact OE2-NZ 2.97Å |
| 149 | Q | 87.5 | Confident | 89.6 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 175.6 | -61.8 | -173.6 | 7.1 | 0 | 0 | 112.2 | F143 S147 K153 | F143-Q149 HydrophobicContact CB-CB 4.07Å; F143-Q149 HydrophobicContact CD1-CB 3.73Å; F143-Q149 HydrophobicContact CE1-CB 4.29Å; F143-Q149 HydrophobicContact CG-CB 3.89Å; S147-Q149 PolarHBondContact O-N 3.4Å; S147-Q149 VanDerWaalsContact O-N 3.16Å; Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 WeakPolarHBondContact O-CG 3.36Å; Q149-K153 PolarHBondContact O-N 3.29Å |
| 150 | Y | 90.6 | Very high | 89.6 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.1 | -179.5 | -87.2 | 0 | 0 | 0 | 111.3 | F143 E144 M145 S147 K153 S154 L188 L192 | F143-Y150 HydrophobicContact CD2-CD2 4.24Å; F143-Y150 AromaticContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CD2 3.91Å; F143-Y150 HydrophobicContact CE2-CG 4.4Å; E144-Y150 WeakPolarHBondContact O-CB 3.11Å; M145-Y150 HydrophobicContact CB-CE2 4.33Å; M145-Y150 HydrophobicContact CG-CE1 4.27Å; M145-Y150 HydrophobicContact CG-CE2 4.2Å; S147-Y150 WeakPolarHBondContact O-CA 3.35Å; S147-Y150 VanDerWaalsContact O-CB 3.3Å; S147-Y150 WeakPolarHBondContact O-CB 3.44Å; S147-Y150 PolarHBondContact O-N 2.94Å; S147-Y150 WeakPolarHBondContact OG-CB 3.35Å; S147-Y150 PolarHBondContact OG-N 2.65Å; Y150-K153 PolarHBondContact O-N 3.4Å; Y150-S154 WeakPolarHBondContact O-CB 3.28Å; Y150-S154 PolarHBondContact O-N 2.81Å; Y150-L188 HydrophobicContact CD1-CD2 4.41Å; Y150-L188 HydrophobicContact CD2-CD1 4.45Å; Y150-L188 HydrophobicContact CD2-CD2 4.05Å; Y150-L188 HydrophobicContact CD2-CG 4.29Å; Y150-L188 HydrophobicContact CE1-CD2 3.88Å; Y150-L188 HydrophobicContact CE2-CD1 4.28Å; Y150-L188 HydrophobicContact CE2-CD2 3.48Å; Y150-L188 VanDerWaalsContact CE2-CD2 3.48Å; Y150-L188 HydrophobicContact CE2-CG 3.65Å; Y150-L188 HydrophobicContact CG-CD2 4.47Å; Y150-L192 HydrophobicContact CD2-CD1 4.38Å |
| 151 | E | 92 | Very high | 89.8 | Confident | 121 Ų | 121 | 70.3 Ų | 70.3 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66 | -44.9 | 178.3 | -65.7 | -173.1 | 166.6 | 0 | 0 | 112.3 | S147 E148 K153 S154 T155 | S147-E151 PolarHBondContact O-N 3.33Å; E148-E151 PolarHBondContact O-N 3.35Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 2.98Å; E151-S154 PolarHBondContact O-N 3.06Å; E151-T155 WeakPolarHBondContact O-CG2 3.4Å; E151-T155 PolarHBondContact O-N 3.01Å; E151-T155 PolarHBondContact O-OG1 3.47Å |
| 152 | K | 91.3 | Very high | 89.9 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.8 | -39.2 | 173.3 | -73.7 | 171.6 | -178.1 | 167.6 | 0 | 111.7 | E148 T155 Y156 | E148-K152 HydrophobicContact CG-CD 4.45Å; E148-K152 WeakPolarHBondContact O-CB 3.29Å; E148-K152 VanDerWaalsContact O-CG 3.29Å; E148-K152 WeakPolarHBondContact O-CG 3.14Å; E148-K152 PolarHBondContact O-N 3.02Å; E148-K152 VanDerWaalsContact O-N 3.08Å; E148-K152 WeakPolarHBondContact OE1-CE 3.42Å; E148-K152 IonicContact OE1-NZ 3.99Å; E148-K152 PolarHBondContact OE1-NZ 3.21Å; E148-K152 IonicContact OE2-NZ 3.85Å; E148-K152 PolarHBondContact OE2-NZ 2.97Å; K152-T155 PolarHBondContact O-OG1 3.04Å; K152-Y156 VanDerWaalsContact O-CB 3.28Å; K152-Y156 WeakPolarHBondContact O-CB 3.26Å; K152-Y156 PolarHBondContact O-N 3.29Å; K152-Y156 VanDerWaalsContact O-N 3.17Å |
| 153 | K | 90.3 | Very high | 90.2 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.7 | -38.7 | 176.2 | -79 | -66.4 | -167.2 | 175.1 | 0 | 112.9 | I120 I121 F141 F143 Q149 Y150 E151 Y156 I157 L188 | I120-K153 PolarHBondContact O-NZ 2.9Å; I121-K153 PolarHBondContact O-NZ 3.45Å; F141-K153 HydrophobicContact CZ-CD 4.34Å; F143-K153 HydrophobicContact CE1-CG 4.08Å; F143-K153 HydrophobicContact CZ-CB 4.1Å; F143-K153 HydrophobicContact CZ-CG 3.82Å; Q149-K153 WeakPolarHBondContact O-CB 3.47Å; Q149-K153 WeakPolarHBondContact O-CG 3.36Å; Q149-K153 PolarHBondContact O-N 3.29Å; Y150-K153 PolarHBondContact O-N 3.4Å; E151-K153 VanDerWaalsContact C-N 3.26Å; E151-K153 PolarHBondContact O-N 2.98Å; K153-Y156 PolarHBondContact O-N 2.86Å; K153-I157 VanDerWaalsContact O-CG1 3.22Å; K153-I157 WeakPolarHBondContact O-CG1 3.33Å; K153-I157 PolarHBondContact O-N 3.12Å; K153-L188 HydrophobicContact CB-CD1 4.32Å |
| 154 | S | 91.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 74.7 Ų | 74.7 | 17% | 0.168 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 176.4 | -176 | 0 | 0 | 0 | 0 | 111.3 | Y150 E151 Y156 I157 Q158 | Y150-S154 WeakPolarHBondContact O-CB 3.28Å; Y150-S154 PolarHBondContact O-N 2.81Å; E151-S154 PolarHBondContact O-N 3.06Å; S154-Y156 VanDerWaalsContact C-N 3.35Å; S154-Y156 PolarHBondContact O-N 3.19Å; S154-I157 PolarHBondContact O-N 3.14Å; S154-Q158 WeakPolarHBondContact O-CG 3.43Å; S154-Q158 PolarHBondContact O-N 3.05Å |
| 155 | T | 93.1 | Very high | 90.9 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | E151 K152 I157 Q158 Q159 | E151-T155 WeakPolarHBondContact O-CG2 3.4Å; E151-T155 PolarHBondContact O-N 3.01Å; E151-T155 PolarHBondContact O-OG1 3.47Å; K152-T155 PolarHBondContact O-OG1 3.04Å; T155-I157 VanDerWaalsContact C-N 3.34Å; T155-I157 PolarHBondContact O-N 3.39Å; T155-Q158 PolarHBondContact O-N 3.12Å; T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.05Å |
| 156 | Y | 92.2 | Very high | 91.2 | Very high | 55 Ų | 55 | 65.9 Ų | 65.9 | 22% | 0.216 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.8 | -178.6 | -97.9 | 0 | 0 | 0 | 113.4 | K152 K153 S154 R160 | K152-Y156 VanDerWaalsContact O-CB 3.28Å; K152-Y156 WeakPolarHBondContact O-CB 3.26Å; K152-Y156 PolarHBondContact O-N 3.29Å; K152-Y156 VanDerWaalsContact O-N 3.17Å; K153-Y156 PolarHBondContact O-N 2.86Å; S154-Y156 VanDerWaalsContact C-N 3.35Å; S154-Y156 PolarHBondContact O-N 3.19Å; Y156-R160 PolarHBondContact OH-NH2 3.12Å |
| 157 | I | 93.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -41.1 | 177.8 | -67.5 | 168.5 | 0 | 0 | 0 | 110.5 | I120 K153 S154 T155 Q159 R160 L165 A184 L187 L188 | I120-I157 HydrophobicContact CG2-CD1 4.36Å; I120-I157 HydrophobicContact CG2-CG1 4.03Å; K153-I157 VanDerWaalsContact O-CG1 3.22Å; K153-I157 WeakPolarHBondContact O-CG1 3.33Å; K153-I157 PolarHBondContact O-N 3.12Å; S154-I157 PolarHBondContact O-N 3.14Å; T155-I157 VanDerWaalsContact C-N 3.34Å; T155-I157 PolarHBondContact O-N 3.39Å; I157-Q159 VanDerWaalsContact C-N 3.29Å; I157-Q159 PolarHBondContact O-N 3.39Å; I157-R160 WeakPolarHBondContact O-CB 3.08Å; I157-R160 PolarHBondContact O-N 3.47Å; I157-R160 VanDerWaalsContact O-N 3.09Å; I157-L165 HydrophobicContact CG2-CD2 3.61Å; I157-A184 HydrophobicContact CG2-CB 3.69Å; I157-L187 HydrophobicContact CG2-CD2 4.1Å; I157-L188 HydrophobicContact CD1-CB 4.13Å; I157-L188 HydrophobicContact CD1-CD1 3.96Å |
| 158 | Q | 92.4 | Very high | 91.8 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.7 | -30 | 178.9 | -71.7 | 178.2 | 6.4 | 0 | 0 | 113.4 | S154 T155 R160 R180 A184 | S154-Q158 WeakPolarHBondContact O-CG 3.43Å; S154-Q158 PolarHBondContact O-N 3.05Å; T155-Q158 PolarHBondContact O-N 3.12Å; Q158-R160 PolarHBondContact O-N 3.41Å; Q158-R180 PolarHBondContact O-NH1 2.86Å; Q158-R180 VanDerWaalsContact O-NH1 3.15Å; Q158-A184 HydrophobicContact CG-CB 3.86Å |
| 159 | Q | 92.3 | Very high | 91.9 | Very high | 147 Ų | 147 | 57.7 Ų | 57.7 | 69% | 0.687 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.1 | 173.9 | -74.2 | 176.9 | 8.1 | 0 | 0 | 113.4 | T155 I157 | T155-Q159 WeakPolarHBondContact O-CG 3.46Å; T155-Q159 PolarHBondContact O-N 3.05Å; I157-Q159 VanDerWaalsContact C-N 3.29Å; I157-Q159 PolarHBondContact O-N 3.39Å |
| 160 | R | 91.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -72 | 147.3 | 179.1 | -63.8 | -71.3 | 153 | -167.8 | -9.1 | 110.8 | Y156 I157 Q158 L165 | Y156-R160 PolarHBondContact OH-NH2 3.12Å; I157-R160 WeakPolarHBondContact O-CB 3.08Å; I157-R160 PolarHBondContact O-N 3.47Å; I157-R160 VanDerWaalsContact O-N 3.09Å; Q158-R160 PolarHBondContact O-N 3.41Å; R160-L165 HydrophobicContact CB-CD2 4.25Å; R160-L165 HydrophobicContact CB-CG 4.36Å |
| 161 | P | 92.8 | Very high | 92.1 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | trans | -66.2 | 144.7 | 177.8 | 30.7 | -36.1 | 0 | 0 | 0 | 109.8 | C163 D164 L165 | P161-C163 PolarHBondContact O-N 3.15Å; P161-D164 HydrophobicContact CG-CB 4.07Å; P161-D164 VanDerWaalsContact CG-CG 3.5Å; P161-D164 VanDerWaalsContact CG-OD2 3.25Å; P161-D164 WeakPolarHBondContact CG-OD2 3.29Å; P161-D164 PolarHBondContact O-N 2.85Å; P161-L165 PolarHBondContact O-N 3.16Å | ||
| 162 | A | 91.6 | Very high | 92 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 21% | 0.207 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -19.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R166 R180 | A162-R166 WeakPolarHBondContact O-CB 3.4Å; A162-R166 WeakPolarHBondContact O-CG 3.48Å; A162-R166 PolarHBondContact O-N 3.09Å; A162-R166 PolarHBondContact O-NE 3.28Å; A162-R180 HydrophobicContact CB-CG 4.47Å |
| 163 | C | 91.9 | Very high | 91.9 | Very high | 73 Ų | 73 | 48 Ų | 48 | 49% | 0.493 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64 | -42.5 | 171.6 | 57.3 | 0 | 0 | 0 | 0 | 112 | P161 R166 E167 | P161-C163 PolarHBondContact O-N 3.15Å; C163-R166 PolarHBondContact O-N 3.19Å; C163-E167 PolarHBondContact O-N 3.19Å |
| 164 | D | 92.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.5 | -42.3 | -176.4 | -66.9 | -0.6 | 0 | 0 | 0 | 110.5 | P161 R166 E167 V168 | P161-D164 HydrophobicContact CG-CB 4.07Å; P161-D164 VanDerWaalsContact CG-CG 3.5Å; P161-D164 VanDerWaalsContact CG-OD2 3.25Å; P161-D164 WeakPolarHBondContact CG-OD2 3.29Å; P161-D164 PolarHBondContact O-N 2.85Å; D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact O-N 2.79Å; D164-E167 PolarHBondContact O-N 2.95Å; D164-V168 WeakPolarHBondContact O-CB 3.31Å; D164-V168 VanDerWaalsContact O-CG2 3.25Å; D164-V168 WeakPolarHBondContact O-CG2 3.49Å; D164-V168 PolarHBondContact O-N 3Å |
| 165 | L | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 175.1 | -64.6 | 176.9 | 0 | 0 | 0 | 111.2 | I157 R160 P161 V168 L169 R180 L183 A184 L187 | I157-L165 HydrophobicContact CG2-CD2 3.61Å; R160-L165 HydrophobicContact CB-CD2 4.25Å; R160-L165 HydrophobicContact CB-CG 4.36Å; P161-L165 PolarHBondContact O-N 3.16Å; L165-V168 PolarHBondContact O-N 3.22Å; L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 VanDerWaalsContact O-CG 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.44Å; L165-L169 PolarHBondContact O-N 3.45Å; L165-R180 HydrophobicContact CD1-CG 3.98Å; L165-L183 HydrophobicContact CB-CB 4.37Å; L165-L183 HydrophobicContact CD1-CB 4.48Å; L165-A184 HydrophobicContact CD1-CB 4.39Å; L165-L187 HydrophobicContact CD2-CD2 3.87Å |
| 166 | R | 92.1 | Very high | 91.5 | Very high | 110 Ų | 110 | 49.4 Ų | 49.4 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -42 | 178.1 | -72.3 | -175.5 | -86.1 | -145.2 | 0.8 | 112.2 | A162 C163 D164 V168 R170 V176 L183 | A162-R166 WeakPolarHBondContact O-CB 3.4Å; A162-R166 WeakPolarHBondContact O-CG 3.48Å; A162-R166 PolarHBondContact O-N 3.09Å; A162-R166 PolarHBondContact O-NE 3.28Å; C163-R166 PolarHBondContact O-N 3.19Å; D164-R166 VanDerWaalsContact C-N 3.31Å; D164-R166 PolarHBondContact O-N 2.79Å; R166-V168 VanDerWaalsContact C-N 3.35Å; R166-R170 VanDerWaalsContact O-CG 3.3Å; R166-R170 WeakPolarHBondContact O-CG 3.49Å; R166-R170 PolarHBondContact O-N 2.96Å; R166-R170 VanDerWaalsContact O-N 3.08Å; R166-V176 HydrophobicContact CB-CG1 3.6Å; R166-V176 HydrophobicContact CG-CG1 3.47Å; R166-V176 VanDerWaalsContact CG-CG1 3.47Å; R166-L183 HydrophobicContact CG-CD1 3.66Å |
| 167 | E | 92.5 | Very high | 91.4 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 177 | -175.6 | 63.7 | -168.4 | 0 | 0 | 111.8 | S113 C163 D164 R170 I171 | S113-E167 WeakPolarHBondContact CB-OE1 3.45Å; S113-E167 PolarHBondContact OG-OE1 3.5Å; C163-E167 PolarHBondContact O-N 3.19Å; D164-E167 PolarHBondContact O-N 2.95Å; E167-R170 WeakPolarHBondContact O-CB 3.31Å; E167-R170 PolarHBondContact O-N 2.97Å; E167-R170 IonicContact OE2-CZ 2.65Å; E167-R170 IonicContact OE2-NH1 3.79Å; E167-R170 PolarHBondContact OE2-NH1 3.3Å; E167-I171 WeakPolarHBondContact O-CG1 3.27Å; E167-I171 PolarHBondContact O-N 3.08Å; E167-I171 VanDerWaalsContact O-N 3.13Å |
| 168 | V | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 177.4 | 162.1 | 0 | 0 | 0 | 0 | 111.5 | L117 I120 D164 L165 R166 R170 I171 L172 L187 | L117-V168 HydrophobicContact CB-CG2 4.14Å; L117-V168 HydrophobicContact CD1-CG1 3.71Å; L117-V168 HydrophobicContact CD1-CG2 4.46Å; I120-V168 HydrophobicContact CD1-CB 4.43Å; I120-V168 HydrophobicContact CD1-CG1 4.37Å; I120-V168 HydrophobicContact CD1-CG2 3.82Å; D164-V168 WeakPolarHBondContact O-CB 3.31Å; D164-V168 VanDerWaalsContact O-CG2 3.25Å; D164-V168 WeakPolarHBondContact O-CG2 3.49Å; D164-V168 PolarHBondContact O-N 3Å; L165-V168 PolarHBondContact O-N 3.22Å; R166-V168 VanDerWaalsContact C-N 3.35Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 3.03Å; V168-I171 PolarHBondContact O-N 3.21Å; V168-I171 VanDerWaalsContact O-N 3.12Å; V168-L172 HydrophobicContact CG1-CD1 4.12Å; V168-L172 WeakPolarHBondContact O-CG 3.47Å; V168-L172 PolarHBondContact O-N 3.21Å; V168-L187 HydrophobicContact CG1-CD1 3.56Å; V168-L187 HydrophobicContact CG1-CD2 3.74Å; V168-L187 HydrophobicContact CG1-CG 4.33Å |
| 169 | L | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 176.3 | -72 | 168.7 | 0 | 0 | 0 | 112.2 | L165 L172 N173 L174 V176 L183 L187 | L165-L169 WeakPolarHBondContact O-CB 3.24Å; L165-L169 VanDerWaalsContact O-CG 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.44Å; L165-L169 PolarHBondContact O-N 3.45Å; L169-L172 CarbonylContact O-C 3.27Å; L169-L172 PolarHBondContact O-N 3.23Å; L169-N173 PolarHBondContact O-N 3.4Å; L169-N173 VanDerWaalsContact O-N 3.08Å; L169-L174 HydrophobicContact CB-CB 4.43Å; L169-L174 HydrophobicContact CD2-CB 3.75Å; L169-L174 HydrophobicContact CD2-CD1 3.69Å; L169-L174 HydrophobicContact CD2-CG 4.38Å; L169-L174 PolarHBondContact O-N 3.34Å; L169-V176 HydrophobicContact CB-CG2 4.13Å; L169-L183 HydrophobicContact CD1-CB 3.8Å; L169-L183 HydrophobicContact CD1-CD2 3.45Å; L169-L183 VanDerWaalsContact CD1-CD2 3.45Å; L169-L183 HydrophobicContact CD1-CG 4.15Å; L169-L187 HydrophobicContact CD2-CB 4.07Å; L169-L187 HydrophobicContact CD2-CD1 4.27Å |
| 170 | R | 90.9 | Very high | 91.1 | Very high | 132 Ų | 132 | 52 Ų | 52 | 50% | 0.498 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 172.2 | -70.7 | 172.1 | -154.9 | 144.2 | 2.9 | 111.9 | R166 E167 V168 L172 N173 V176 | R166-R170 VanDerWaalsContact O-CG 3.3Å; R166-R170 WeakPolarHBondContact O-CG 3.49Å; R166-R170 PolarHBondContact O-N 2.96Å; R166-R170 VanDerWaalsContact O-N 3.08Å; E167-R170 WeakPolarHBondContact O-CB 3.31Å; E167-R170 PolarHBondContact O-N 2.97Å; E167-R170 IonicContact OE2-CZ 2.65Å; E167-R170 IonicContact OE2-NH1 3.79Å; E167-R170 PolarHBondContact OE2-NH1 3.3Å; V168-R170 VanDerWaalsContact C-N 3.3Å; V168-R170 PolarHBondContact O-N 3.03Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.89Å; R170-N173 PolarHBondContact O-N 3.26Å; R170-V176 HydrophobicContact CG-CG2 3.91Å |
| 171 | I | 91.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.6 | -64.7 | 164.7 | 0 | 0 | 0 | 110.3 | S105 I106 A109 S113 L117 E167 V168 N173 | S105-I171 WeakPolarHBondContact CB-O 3.48Å; S105-I171 WeakPolarHBondContact OG-CA 3.4Å; S105-I171 PolarHBondContact OG-O 3.02Å; I106-I171 HydrophobicContact CG1-CG2 4.14Å; A109-I171 HydrophobicContact CB-CD1 4.33Å; A109-I171 HydrophobicContact CB-CG1 4.07Å; S113-I171 VanDerWaalsContact CB-CD1 3.41Å; L117-I171 HydrophobicContact CD2-CG2 3.95Å; E167-I171 WeakPolarHBondContact O-CG1 3.27Å; E167-I171 PolarHBondContact O-N 3.08Å; E167-I171 VanDerWaalsContact O-N 3.13Å; V168-I171 PolarHBondContact O-N 3.21Å; V168-I171 VanDerWaalsContact O-N 3.12Å; I171-N173 PolarHBondContact O-N 3.15Å |
| 172 | L | 90.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.7 | 179.3 | -60.5 | 177.1 | 0 | 0 | 0 | 113.4 | L96 I102 L117 V168 L169 R170 L174 L187 F190 L191 | L96-L172 HydrophobicContact CD1-CD2 4.06Å; L96-L172 HydrophobicContact CD2-CD2 4.46Å; I102-L172 HydrophobicContact CG2-CD2 4.19Å; L117-L172 HydrophobicContact CD1-CD1 4.31Å; L117-L172 HydrophobicContact CD2-CD2 4.17Å; V168-L172 HydrophobicContact CG1-CD1 4.12Å; V168-L172 WeakPolarHBondContact O-CG 3.47Å; V168-L172 PolarHBondContact O-N 3.21Å; L169-L172 CarbonylContact O-C 3.27Å; L169-L172 PolarHBondContact O-N 3.23Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.89Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 HydrophobicContact CB-CD1 3.95Å; L172-L174 HydrophobicContact CB-CG 4.06Å; L172-L174 HydrophobicContact CD1-CD1 4.38Å; L172-L174 PolarHBondContact O-N 2.73Å; L172-L187 HydrophobicContact CD1-CD1 3.51Å; L172-F190 HydrophobicContact CB-CE1 4.28Å; L172-F190 HydrophobicContact CD1-CD1 3.9Å; L172-F190 HydrophobicContact CD1-CE1 4.06Å; L172-F190 HydrophobicContact CD2-CE1 4.06Å; L172-F190 HydrophobicContact CG-CE1 4.35Å; L172-L191 HydrophobicContact CD1-CD2 4.26Å |
| 173 | N | 88.6 | Confident | 91.3 | Very high | 38 Ų | 38 | 55.1 Ų | 55.1 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 42.8 | -176.8 | -65.2 | -72.7 | 0 | 0 | 0 | 113 | L101 L169 R170 I171 V199 C201 | L101-N173 PolarHBondContact O-ND2 2.89Å; L169-N173 PolarHBondContact O-N 3.4Å; L169-N173 VanDerWaalsContact O-N 3.08Å; R170-N173 PolarHBondContact O-N 3.26Å; I171-N173 PolarHBondContact O-N 3.15Å; N173-V199 HydrophobicContact CB-CG1 3.6Å; N173-C201 HydrophobicContact CB-CB 4.09Å |
| 174 | L | 88.4 | Confident | 91.4 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | trans | -104 | 163.9 | 175.4 | -63.9 | 172.7 | 0 | 0 | 0 | 110.8 | L169 L172 V176 F190 S198 | L169-L174 HydrophobicContact CB-CB 4.43Å; L169-L174 HydrophobicContact CD2-CB 3.75Å; L169-L174 HydrophobicContact CD2-CD1 3.69Å; L169-L174 HydrophobicContact CD2-CG 4.38Å; L169-L174 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact C-N 3.27Å; L172-L174 HydrophobicContact CB-CD1 3.95Å; L172-L174 HydrophobicContact CB-CG 4.06Å; L172-L174 HydrophobicContact CD1-CD1 4.38Å; L172-L174 PolarHBondContact O-N 2.73Å; L174-V176 WeakPolarHBondContact O-CG2 3.44Å; L174-V176 PolarHBondContact O-N 3.31Å; L174-F190 HydrophobicContact CD1-CB 3.63Å; L174-F190 HydrophobicContact CD1-CD1 3.89Å; L174-F190 HydrophobicContact CD1-CD2 3.96Å; L174-F190 HydrophobicContact CD1-CG 3.54Å; L174-F190 HydrophobicContact CD2-CD2 3.8Å; L174-F190 HydrophobicContact CD2-CE2 4.24Å; L174-F190 HydrophobicContact CD2-CG 4.25Å; L174-F190 HydrophobicContact CG-CD2 4.38Å; L174-F190 HydrophobicContact CG-CG 4.41Å; L174-S198 WeakPolarHBondContact CD2-O 3.45Å | ||
| 175 | E | 87.4 | Confident | 91.4 | Very high | 95 Ų | 95 | 52.3 Ų | 52.3 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | trans | -67.9 | 126 | 179.7 | -168.4 | 178 | -174.9 | 0 | 0 | 111.9 | T177 R186 | E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 VanDerWaalsContact CD-CG2 3.43Å; E175-T177 HydrophobicContact CG-CG2 3.7Å; E175-T177 PolarHBondContact O-N 3.02Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.3Å; E175-R186 PolarHBondContact O-NH1 2.83Å | ||
| 176 | V | 89.9 | Confident | 91.3 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | trans | -97.7 | 30 | -176.1 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | R166 L169 R170 L174 | R166-V176 HydrophobicContact CB-CG1 3.6Å; R166-V176 HydrophobicContact CG-CG1 3.47Å; R166-V176 VanDerWaalsContact CG-CG1 3.47Å; L169-V176 HydrophobicContact CB-CG2 4.13Å; R170-V176 HydrophobicContact CG-CG2 3.91Å; L174-V176 WeakPolarHBondContact O-CG2 3.44Å; L174-V176 PolarHBondContact O-N 3.31Å | ||
| 177 | T | 90 | Very high | 91.3 | Very high | 73 Ų | 73 | 50 Ų | 50 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | trans | -99.5 | 149.4 | -179.8 | -157.5 | 0 | 0 | 0 | 0 | 112 | E175 L183 R186 | E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 VanDerWaalsContact CD-CG2 3.43Å; E175-T177 HydrophobicContact CG-CG2 3.7Å; E175-T177 PolarHBondContact O-N 3.02Å; E175-T177 WeakPolarHBondContact OE1-CG2 3.3Å; T177-L183 WeakPolarHBondContact O-CD2 3.28Å; T177-R186 PolarHBondContact O-NH1 3.05Å | ||
| 178 | G | 87.9 | Confident | 91.2 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 110.3 | -176.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 179 | T | 93 | Very high | 91.1 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | trans | -69.3 | 164.7 | 175.3 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | E181 Q182 L183 | T179-E181 PolarHBondContact O-N 3.49Å; T179-Q182 PolarHBondContact O-N 2.85Å; T179-Q182 VanDerWaalsContact O-N 3.12Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.47Å; T179-Q182 PolarHBondContact OG1-N 3.45Å; T179-L183 WeakPolarHBondContact O-CG 3.14Å; T179-L183 PolarHBondContact O-N 3.44Å | ||
| 180 | R | 91.6 | Very high | 91.1 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.9 | -41.6 | 178.1 | -179.9 | -179.9 | 61.5 | 160.3 | -6.1 | 112.2 | Q158 A162 L165 L183 A184 | Q158-R180 PolarHBondContact O-NH1 2.86Å; Q158-R180 VanDerWaalsContact O-NH1 3.15Å; A162-R180 HydrophobicContact CB-CG 4.47Å; L165-R180 HydrophobicContact CD1-CG 3.98Å; R180-L183 PolarHBondContact O-N 3.45Å; R180-A184 PolarHBondContact O-N 2.84Å |
| 181 | E | 93.1 | Very high | 91 | Very high | 113 Ų | 113 | 48.3 Ų | 48.3 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 179.5 | -69.2 | 167.6 | -163.8 | 0 | 0 | 111.7 | T179 L183 A184 S185 | T179-E181 PolarHBondContact O-N 3.49Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 2.82Å; E181-A184 WeakPolarHBondContact O-CB 3.18Å; E181-A184 PolarHBondContact O-N 3.42Å; E181-A184 VanDerWaalsContact O-N 3.12Å; E181-S185 PolarHBondContact O-N 3.18Å; E181-S185 PolarHBondContact O-OG 2.98Å |
| 182 | Q | 93.5 | Very high | 90.9 | Very high | 99 Ų | 99 | 49.2 Ų | 49.2 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 176.3 | -70 | 172.1 | -15.2 | 0 | 0 | 112.2 | T179 R186 | T179-Q182 PolarHBondContact O-N 2.85Å; T179-Q182 VanDerWaalsContact O-N 3.12Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.47Å; T179-Q182 PolarHBondContact OG1-N 3.45Å; Q182-R186 VanDerWaalsContact O-CB 3.29Å; Q182-R186 WeakPolarHBondContact O-CB 3.37Å; Q182-R186 PolarHBondContact O-N 3.34Å |
| 183 | L | 93.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 173.9 | -61.9 | 174.6 | 0 | 0 | 0 | 111.5 | L165 R166 L169 T177 T179 R180 E181 L187 | L165-L183 HydrophobicContact CB-CB 4.37Å; L165-L183 HydrophobicContact CD1-CB 4.48Å; R166-L183 HydrophobicContact CG-CD1 3.66Å; L169-L183 HydrophobicContact CD1-CB 3.8Å; L169-L183 HydrophobicContact CD1-CD2 3.45Å; L169-L183 VanDerWaalsContact CD1-CD2 3.45Å; L169-L183 HydrophobicContact CD1-CG 4.15Å; T177-L183 WeakPolarHBondContact O-CD2 3.28Å; T179-L183 WeakPolarHBondContact O-CG 3.14Å; T179-L183 PolarHBondContact O-N 3.44Å; R180-L183 PolarHBondContact O-N 3.45Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 2.82Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 PolarHBondContact O-N 3.23Å |
| 184 | A | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | I157 Q158 L165 R180 E181 L187 L188 | I157-A184 HydrophobicContact CG2-CB 3.69Å; Q158-A184 HydrophobicContact CG-CB 3.86Å; L165-A184 HydrophobicContact CD1-CB 4.39Å; R180-A184 PolarHBondContact O-N 2.84Å; E181-A184 WeakPolarHBondContact O-CB 3.18Å; E181-A184 PolarHBondContact O-N 3.42Å; E181-A184 VanDerWaalsContact O-N 3.12Å; A184-L187 PolarHBondContact O-N 2.94Å; A184-L188 WeakPolarHBondContact O-CB 3Å; A184-L188 PolarHBondContact O-N 3.45Å |
| 185 | S | 92.3 | Very high | 90.3 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | E181 L187 L188 E189 | E181-S185 PolarHBondContact O-N 3.18Å; E181-S185 PolarHBondContact O-OG 2.98Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 3.12Å; S185-L188 PolarHBondContact O-N 3.49Å; S185-E189 VanDerWaalsContact O-CB 3.31Å; S185-E189 WeakPolarHBondContact O-CB 3.04Å; S185-E189 PolarHBondContact O-N 3.26Å |
| 186 | R | 91.8 | Very high | 89.8 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.3 | -169.4 | 178.2 | -61.5 | 126.4 | 6.4 | 112.3 | E175 T177 Q182 F190 | E175-R186 PolarHBondContact O-NH1 2.83Å; T177-R186 PolarHBondContact O-NH1 3.05Å; Q182-R186 VanDerWaalsContact O-CB 3.29Å; Q182-R186 WeakPolarHBondContact O-CB 3.37Å; Q182-R186 PolarHBondContact O-N 3.34Å; R186-F190 WeakPolarHBondContact O-CB 3.46Å; R186-F190 PolarHBondContact O-N 2.78Å |
| 187 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 175 | 179.6 | 58.3 | 0 | 0 | 0 | 111.1 | I120 I157 L165 V168 L169 L172 L183 A184 S185 F190 L191 | I120-L187 HydrophobicContact CD1-CD2 4.14Å; I120-L187 HydrophobicContact CG2-CD2 4.37Å; I157-L187 HydrophobicContact CG2-CD2 4.1Å; L165-L187 HydrophobicContact CD2-CD2 3.87Å; V168-L187 HydrophobicContact CG1-CD1 3.56Å; V168-L187 HydrophobicContact CG1-CD2 3.74Å; V168-L187 HydrophobicContact CG1-CG 4.33Å; L169-L187 HydrophobicContact CD2-CB 4.07Å; L169-L187 HydrophobicContact CD2-CD1 4.27Å; L172-L187 HydrophobicContact CD1-CD1 3.51Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.46Å; L183-L187 PolarHBondContact O-N 3.23Å; A184-L187 PolarHBondContact O-N 2.94Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 3.12Å; L187-F190 PolarHBondContact O-N 2.78Å; L187-L191 HydrophobicContact CD1-CD1 3.86Å; L187-L191 HydrophobicContact CD1-CG 3.99Å; L187-L191 HydrophobicContact CG-CD1 3.87Å; L187-L191 HydrophobicContact CG-CG 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.23Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.48Å; L187-L191 PolarHBondContact O-N 2.87Å |
| 188 | L | 90.9 | Very high | 88 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | -178.8 | -178.4 | 58.3 | 0 | 0 | 0 | 112 | Y150 K153 I157 A184 S185 F190 L191 L192 | Y150-L188 HydrophobicContact CD1-CD2 4.41Å; Y150-L188 HydrophobicContact CD2-CD1 4.45Å; Y150-L188 HydrophobicContact CD2-CD2 4.05Å; Y150-L188 HydrophobicContact CD2-CG 4.29Å; Y150-L188 HydrophobicContact CE1-CD2 3.88Å; Y150-L188 HydrophobicContact CE2-CD1 4.28Å; Y150-L188 HydrophobicContact CE2-CD2 3.48Å; Y150-L188 VanDerWaalsContact CE2-CD2 3.48Å; Y150-L188 HydrophobicContact CE2-CG 3.65Å; Y150-L188 HydrophobicContact CG-CD2 4.47Å; K153-L188 HydrophobicContact CB-CD1 4.32Å; I157-L188 HydrophobicContact CD1-CB 4.13Å; I157-L188 HydrophobicContact CD1-CD1 3.96Å; A184-L188 WeakPolarHBondContact O-CB 3Å; A184-L188 PolarHBondContact O-N 3.45Å; S185-L188 PolarHBondContact O-N 3.49Å; L188-F190 VanDerWaalsContact C-N 3.31Å; L188-F190 PolarHBondContact O-N 3.4Å; L188-L191 PolarHBondContact O-N 3.03Å; L188-L192 PolarHBondContact O-N 2.86Å |
| 189 | E | 90.4 | Very high | 87.1 | Confident | 140 Ų | 140 | 54.2 Ų | 54.2 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57 | -44.9 | 175.5 | -174.1 | -177.6 | 178.2 | 0 | 0 | 111.3 | S185 L192 | S185-E189 VanDerWaalsContact O-CB 3.31Å; S185-E189 WeakPolarHBondContact O-CB 3.04Å; S185-E189 PolarHBondContact O-N 3.26Å; E189-L192 WeakPolarHBondContact O-CB 3.49Å; E189-L192 PolarHBondContact O-N 3.43Å |
| 190 | F | 91.1 | Very high | 85.5 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.1 | -179.5 | -94.2 | 0 | 0 | 0 | 113 | L96 I102 L172 L174 R186 L187 L188 L192 K193 P194 S198 V199 | L96-F190 HydrophobicContact CD2-CE1 3.78Å; L96-F190 HydrophobicContact CD2-CZ 4.01Å; I102-F190 HydrophobicContact CD1-CE1 4.1Å; I102-F190 HydrophobicContact CD1-CE2 4.32Å; I102-F190 HydrophobicContact CD1-CZ 3.43Å; I102-F190 VanDerWaalsContact CD1-CZ 3.43Å; L172-F190 HydrophobicContact CB-CE1 4.28Å; L172-F190 HydrophobicContact CD1-CD1 3.9Å; L172-F190 HydrophobicContact CD1-CE1 4.06Å; L172-F190 HydrophobicContact CD2-CE1 4.06Å; L172-F190 HydrophobicContact CG-CE1 4.35Å; L174-F190 HydrophobicContact CD1-CB 3.63Å; L174-F190 HydrophobicContact CD1-CD1 3.89Å; L174-F190 HydrophobicContact CD1-CD2 3.96Å; L174-F190 HydrophobicContact CD1-CG 3.54Å; L174-F190 HydrophobicContact CD2-CD2 3.8Å; L174-F190 HydrophobicContact CD2-CE2 4.24Å; L174-F190 HydrophobicContact CD2-CG 4.25Å; L174-F190 HydrophobicContact CG-CD2 4.38Å; L174-F190 HydrophobicContact CG-CG 4.41Å; R186-F190 WeakPolarHBondContact O-CB 3.46Å; R186-F190 PolarHBondContact O-N 2.78Å; L187-F190 PolarHBondContact O-N 2.78Å; L188-F190 VanDerWaalsContact C-N 3.31Å; L188-F190 PolarHBondContact O-N 3.4Å; F190-L192 VanDerWaalsContact C-N 3.26Å; F190-L192 PolarHBondContact O-N 2.82Å; F190-K193 CarbonylContact O-C 3.59Å; F190-P194 HydrophobicContact CE1-CB 3.99Å; F190-P194 HydrophobicContact CE2-CB 4.43Å; F190-P194 HydrophobicContact CZ-CB 3.89Å; F190-P194 VanDerWaalsContact O-CA 3.24Å; F190-P194 WeakPolarHBondContact O-CA 3.31Å; F190-P194 WeakPolarHBondContact O-CD 3.47Å; F190-S198 WeakPolarHBondContact CD2-OG 3.24Å; F190-S198 VanDerWaalsContact CE2-OG 3.23Å; F190-S198 WeakPolarHBondContact CE2-OG 3.34Å; F190-V199 HydrophobicContact CE2-CG2 4.03Å; F190-V199 HydrophobicContact CZ-CG2 4.38Å |
| 191 | L | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.4 | -19.5 | 179.9 | -68.7 | 176.8 | 0 | 0 | 0 | 112.9 | I120 I121 F138 G140 F141 L172 L187 L188 | I120-L191 HydrophobicContact CG2-CD1 4.15Å; I121-L191 HydrophobicContact CD1-CD2 4.06Å; I121-L191 HydrophobicContact CG1-CD1 4.32Å; I121-L191 HydrophobicContact CG1-CD2 4.04Å; F138-L191 HydrophobicContact CD1-CD2 4.45Å; F138-L191 HydrophobicContact CE1-CB 4.45Å; F138-L191 HydrophobicContact CE1-CD2 3.6Å; F138-L191 HydrophobicContact CZ-CB 4.42Å; F138-L191 HydrophobicContact CZ-CD2 4.18Å; G140-L191 CarbonylContact C-O 3.59Å; G140-L191 VanDerWaalsContact CA-O 3.24Å; G140-L191 WeakPolarHBondContact CA-O 3.4Å; F141-L191 HydrophobicContact CD2-CB 3.89Å; F141-L191 WeakPolarHBondContact CD2-O 3.43Å; F141-L191 HydrophobicContact CE2-CB 3.63Å; F141-L191 HydrophobicContact CE2-CD1 4.15Å; F141-L191 HydrophobicContact CE2-CG 4.49Å; F141-L191 PolarHBondContact N-O 3.31Å; F141-L191 VanDerWaalsContact N-O 3.1Å; L172-L191 HydrophobicContact CD1-CD2 4.26Å; L187-L191 HydrophobicContact CD1-CD1 3.86Å; L187-L191 HydrophobicContact CD1-CG 3.99Å; L187-L191 HydrophobicContact CG-CD1 3.87Å; L187-L191 HydrophobicContact CG-CG 4.36Å; L187-L191 WeakPolarHBondContact O-CB 3.23Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.48Å; L187-L191 PolarHBondContact O-N 2.87Å; L188-L191 PolarHBondContact O-N 3.03Å |
| 192 | L | 87.9 | Confident | 81.2 | Confident | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -57.4 | 173.5 | -162.1 | 68.3 | 0 | 0 | 0 | 110 | F141 F143 Y150 L188 E189 F190 | F141-L192 HydrophobicContact CB-CD1 4.36Å; F141-L192 PolarHBondContact N-O 3.23Å; F143-L192 HydrophobicContact CD2-CD1 3.78Å; F143-L192 HydrophobicContact CE2-CD1 3.73Å; F143-L192 WeakPolarHBondContact O-CD1 3.44Å; Y150-L192 HydrophobicContact CD2-CD1 4.38Å; L188-L192 PolarHBondContact O-N 2.86Å; E189-L192 WeakPolarHBondContact O-CB 3.49Å; E189-L192 PolarHBondContact O-N 3.43Å; F190-L192 VanDerWaalsContact C-N 3.26Å; F190-L192 PolarHBondContact O-N 2.82Å |
| 193 | K | 85.1 | Confident | 78.7 | Confident | 108 Ų | 108 | 57.9 Ų | 57.9 | 47% | 0.47 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -134.5 | 78.9 | -178.6 | -66.8 | -177.9 | -179.8 | 176.8 | 0 | 110.1 | T92 F190 T195 | T92-K193 WeakPolarHBondContact OG1-CE 3.13Å; F190-K193 CarbonylContact O-C 3.59Å; K193-T195 PolarHBondContact O-N 2.91Å; K193-T195 VanDerWaalsContact O-N 3.09Å; K193-T195 PolarHBondContact O-OG1 3.4Å |
| 194 | P | 86.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -61.5 | 119 | 178.2 | 24.6 | -32.7 | 0 | 0 | 0 | 108.8 | T94 L96 R139 G140 F190 | T94-P194 PolarHBondContact N-O 3.01Å; T94-P194 WeakPolarHBondContact O-CG 3.22Å; T94-P194 PolarHBondContact OG1-O 2.88Å; L96-P194 HydrophobicContact CD2-CB 3.75Å; L96-P194 HydrophobicContact CD2-CG 4.43Å; R139-P194 VanDerWaalsContact C-CG 3.47Å; R139-P194 WeakPolarHBondContact O-CD 3.46Å; R139-P194 VanDerWaalsContact O-CG 3.31Å; R139-P194 WeakPolarHBondContact O-CG 3.48Å; G140-P194 VanDerWaalsContact CA-CD 3.45Å; F190-P194 HydrophobicContact CE1-CB 3.99Å; F190-P194 HydrophobicContact CE2-CB 4.43Å; F190-P194 HydrophobicContact CZ-CB 3.89Å; F190-P194 VanDerWaalsContact O-CA 3.24Å; F190-P194 WeakPolarHBondContact O-CA 3.31Å; F190-P194 WeakPolarHBondContact O-CD 3.47Å | ||
| 195 | T | 82.8 | Confident | 73.9 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | trans | -126.5 | 138.5 | -175.8 | -53.5 | 0 | 0 | 0 | 0 | 108.2 | K193 N197 S198 | K193-T195 PolarHBondContact O-N 2.91Å; K193-T195 VanDerWaalsContact O-N 3.09Å; K193-T195 PolarHBondContact O-OG1 3.4Å; T195-N197 HydrophobicContact CG2-CB 4.13Å; T195-N197 PolarHBondContact O-N 3.29Å; T195-N197 VanDerWaalsContact O-N 3.11Å; T195-S198 PolarHBondContact O-N 3.21Å; T195-S198 VanDerWaalsContact O-N 3.12Å; T195-S198 PolarHBondContact O-OG 3.41Å | ||
| 196 | A | 77.5 | Confident | 71.6 | Confident | 52 Ų | 52 | 76.9 Ų | 76.9 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -55.1 | -32.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I99 V199 | I99-A196 HydrophobicContact CG1-CB 4.31Å; A196-V199 PolarHBondContact O-N 2.62Å |
| 197 | N | 71.1 | Confident | 69.4 | Low | 150 Ų | 150 | 82.1 Ų | 82.1 | 80% | 0.802 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -73.1 | -24.3 | -178.6 | -65.7 | -4.1 | 0 | 0 | 0 | 114.3 | T195 V199 | T195-N197 HydrophobicContact CG2-CB 4.13Å; T195-N197 PolarHBondContact O-N 3.29Å; T195-N197 VanDerWaalsContact O-N 3.11Å; N197-V199 PolarHBondContact O-N 2.92Å |
| 198 | S | 71 | Confident | 67 | Low | 42 Ų | 42 | 92.1 Ų | 92.1 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -80.8 | -7.5 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | L174 F190 T195 K200 | L174-S198 WeakPolarHBondContact CD2-O 3.45Å; F190-S198 WeakPolarHBondContact CD2-OG 3.24Å; F190-S198 VanDerWaalsContact CE2-OG 3.23Å; F190-S198 WeakPolarHBondContact CE2-OG 3.34Å; T195-S198 PolarHBondContact O-N 3.21Å; T195-S198 VanDerWaalsContact O-N 3.12Å; T195-S198 PolarHBondContact O-OG 3.41Å; S198-K200 PolarHBondContact O-N 3.39Å |
| 199 | V | 68.1 | Low | 64.7 | Low | 13 Ų | 13 | 100.8 Ų | 100.8 | 8% | 0.079 | 50% | 0.502 | C | S | . | . | trans | -78.3 | 85.9 | 177 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | I99 L101 I102 N173 F190 A196 N197 C201 | I99-V199 HydrophobicContact CG2-CG2 4Å; L101-V199 HydrophobicContact CB-CG1 4.16Å; L101-V199 HydrophobicContact CD1-CG1 3.85Å; I102-V199 HydrophobicContact CD1-CG2 3.72Å; I102-V199 HydrophobicContact CG1-CG1 4.43Å; I102-V199 HydrophobicContact CG1-CG2 4.19Å; N173-V199 HydrophobicContact CB-CG1 3.6Å; F190-V199 HydrophobicContact CE2-CG2 4.03Å; F190-V199 HydrophobicContact CZ-CG2 4.38Å; A196-V199 PolarHBondContact O-N 2.62Å; N197-V199 PolarHBondContact O-N 2.92Å; V199-C201 VanDerWaalsContact C-N 3.28Å; V199-C201 PolarHBondContact O-N 3.13Å | ||
| 200 | K | 59.5 | Low | 62.4 | Low | 159 Ų | 159 | 104 Ų | 104 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | trans | -78.7 | 70.6 | 178.7 | -63.6 | -179.4 | -176.2 | 178.4 | 0 | 111.2 | S198 | S198-K200 PolarHBondContact O-N 3.39Š| ||
| 201 | C | 51.7 | Low | 60.1 | Low | 57 Ų | 57 | 113.2 Ų | 113.2 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | trans | -152.9 | 64.4 | 167.5 | -89.7 | 0 | 0 | 0 | 0 | 112.5 | N173 V199 G203 | N173-C201 HydrophobicContact CB-CB 4.09Å; V199-C201 VanDerWaalsContact C-N 3.28Å; V199-C201 PolarHBondContact O-N 3.13Å; C201-G203 PolarHBondContact O-N 3.34Å | ||
| 202 | K | 42.9 | Very low | 58.1 | Low | 224 Ų | 224 | 120.8 Ų | 120.8 | 97% | 0.974 | 60% | 0.595 | S | S | * | * | trans | -80.9 | 67.6 | 145.7 | -83 | 177.5 | 175.9 | 173.4 | 0 | 107.9 | ||||
| 203 | G | 40.7 | Very low | 56.2 | Low | 56 Ų | 56 | 129.5 Ų | 129.5 | 58% | 0.577 | 63% | 0.632 | S | S | * | * | trans | -134 | 107.2 | 180 | 0 | 0 | 0 | 0 | 0 | 109.2 | C201 I205 | C201-G203 PolarHBondContact O-N 3.34Å; G203-I205 PolarHBondContact O-N 3.08Å; G203-I205 VanDerWaalsContact O-N 3.14Å | ||
| 204 | K | 43.2 | Very low | 54.5 | Low | 204 Ų | 204 | 129.2 Ų | 129.2 | 89% | 0.887 | 64% | 0.643 | S | S | * | * | trans | -47.4 | 125.9 | 168.2 | -67.2 | 177.8 | -179.5 | 176 | 0 | 106.9 | V206 | K204-V206 PolarHBondContact O-N 2.93Š| ||
| 205 | I | 44 | Very low | 52.6 | Low | 156 Ų | 156 | 139.4 Ų | 139.4 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -47 | 112.5 | 163.4 | -62.3 | 165.2 | 0 | 0 | 0 | 104.9 | G203 K207 | G203-I205 PolarHBondContact O-N 3.08Å; G203-I205 VanDerWaalsContact O-N 3.14Å; I205-K207 PolarHBondContact O-N 3.04Å | ||
| 206 | V | 44.4 | Very low | 50.8 | Low | 101 Ų | 101 | 143.9 Ų | 143.9 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | trans | -60.2 | 98.5 | 168.9 | -174.5 | 0 | 0 | 0 | 0 | 103.8 | K204 K208 Y209 | K204-V206 PolarHBondContact O-N 2.93Å; V206-K208 PolarHBondContact O-N 2.55Å; V206-Y209 HydrophobicContact CG1-CD2 4.43Å; V206-Y209 HydrophobicContact CG1-CE2 3.37Å; V206-Y209 WeakPolarHBondContact CG1-OH 3.02Å | ||
| 207 | K | 45.5 | Very low | 49.3 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | -51.2 | 117.1 | 172 | -87.4 | 178.2 | 174.7 | 172.7 | 0 | 104.6 | I205 Y209 | I205-K207 PolarHBondContact O-N 3.04Å; K207-Y209 WeakPolarHBondContact O-CD1 3.45Å; K207-Y209 WeakPolarHBondContact O-CD2 3.24Å; K207-Y209 PolarHBondContact O-N 3.49Å | ||
| 208 | K | 41.7 | Very low | 48.4 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 91% | 0.913 | 71% | 0.712 | S | S | * | * | trans | -48.9 | 105.2 | 170.6 | -98.8 | -174.8 | 174.3 | 176.1 | 0 | 108.1 | V206 K210 | V206-K208 PolarHBondContact O-N 2.55Å; K208-K210 PolarHBondContact O-N 3.23Å | ||
| 209 | Y | 42.2 | Very low | 47.3 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | -75.6 | 110.9 | 164.7 | -25.3 | -90.9 | 0 | 0 | 0 | 106.6 | V206 K207 | V206-Y209 HydrophobicContact CG1-CD2 4.43Å; V206-Y209 HydrophobicContact CG1-CE2 3.37Å; V206-Y209 WeakPolarHBondContact CG1-OH 3.02Å; K207-Y209 WeakPolarHBondContact O-CD1 3.45Å; K207-Y209 WeakPolarHBondContact O-CD2 3.24Å; K207-Y209 PolarHBondContact O-N 3.49Å | ||
| 210 | K | 43.5 | Very low | 46.4 | Very low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | 163.8 | 113.2 | 157.6 | -98.1 | 167.3 | 176.3 | 175.1 | 0 | 105.9 | K208 | K208-K210 PolarHBondContact O-N 3.23Š| ||
| 211 | K | 41.7 | Very low | 45.7 | Very low | 201 Ų | 201 | 155.5 Ų | 155.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | -155.1 | 119.5 | 58.6 | -170.4 | 171.6 | -175.4 | 171.4 | 0 | 109.3 | K213 | K211-K213 PolarHBondContact O-N 3.49Š| |||
| 212 | N | 48.3 | Very low | 45.5 | Very low | 159 Ų | 159 | 160 Ų | 160 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -55.9 | 119.6 | 164.9 | -70.8 | -18.1 | 0 | 0 | 0 | 108 | S214 | N212-S214 VanDerWaalsContact C-N 3.32Å; N212-S214 PolarHBondContact O-N 3.37Å; N212-S214 VanDerWaalsContact O-N 3.08Å | ||
| 213 | K | 47.5 | Very low | 45.8 | Very low | 207 Ų | 207 | 158.6 Ų | 158.6 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 95.2 | 165.1 | -169.2 | 168.3 | -177.1 | 164.6 | 0 | 105.9 | K211 K215 | K211-K213 PolarHBondContact O-N 3.49Å; K213-K215 PolarHBondContact O-N 3.33Å | ||
| 214 | S | 51.1 | Low | 46.3 | Very low | 101 Ų | 101 | 161 Ų | 161 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -52.4 | 126.3 | 173.4 | 41.9 | 0 | 0 | 0 | 0 | 109.8 | N212 D216 | N212-S214 VanDerWaalsContact C-N 3.32Å; N212-S214 PolarHBondContact O-N 3.37Å; N212-S214 VanDerWaalsContact O-N 3.08Å; S214-D216 PolarHBondContact O-N 2.91Å | ||
| 215 | K | 45.3 | Very low | 46.8 | Very low | 214 Ų | 214 | 160.6 Ų | 160.6 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -55.7 | 118.2 | 160.1 | -82.9 | 173.9 | 172.4 | 171.3 | 0 | 108.2 | K213 | K213-K215 PolarHBondContact O-N 3.33Š| ||
| 216 | D | 45.6 | Very low | 46.9 | Very low | 154 Ų | 154 | 159.3 Ų | 159.3 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -118.4 | 111.7 | 162.7 | -157.4 | 48.4 | 0 | 0 | 0 | 102.4 | S214 | S214-D216 PolarHBondContact O-N 2.91Š| ||
| 217 | G | 47.3 | Very low | 47 | Very low | 50 Ų | 50 | 159.9 Ų | 159.9 | 52% | 0.515 | 80% | 0.802 | S | S | . | * | cis | 66.9 | 73.3 | 37 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 218 | T | 50.9 | Low | 47.2 | Very low | 125 Ų | 125 | 161.7 Ų | 161.7 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | 169.3 | 139.9 | 82.5 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 219 | S | 48.9 | Very low | 47.7 | Very low | 89 Ų | 89 | 161.7 Ų | 161.7 | 62% | 0.622 | 81% | 0.81 | S | S | * | * | trans | 65.8 | 117.9 | 147.3 | 66.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 220 | K | 48.2 | Very low | 47.8 | Very low | 206 Ų | 206 | 160 Ų | 160 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | 64.9 | 121.7 | 122.5 | -61.2 | 175.4 | -175.7 | 174 | 0 | 118.3 | |||||
| 221 | K | 44.8 | Very low | 48.2 | Very low | 190 Ų | 190 | 156 Ų | 156 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | 149 | 94.7 | 124.2 | -163 | 168.1 | -171.6 | -177.3 | 0 | 110.3 | |||||
| 222 | L | 48.5 | Very low | 48.5 | Very low | 150 Ų | 150 | 152.4 Ų | 152.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 68.5 | 105.6 | 102.7 | -67.3 | 177.8 | 0 | 0 | 0 | 116.5 | |||||
| 223 | K | 49.1 | Very low | 48.5 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | 76.6 | 136 | 118.1 | -121.9 | 171.6 | -173.9 | 175.2 | 0 | 121.3 | |||||
| 224 | S | 50.9 | Low | 48.5 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 90 | 131.9 | 153.4 | 87.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 225 | K | 53.4 | Low | 48.5 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | cis | -164.3 | 152 | 28.6 | -107.7 | 159.8 | 179.6 | 176.8 | 0 | 109.5 | ||||
| 226 | P | 45.2 | Very low | 48.6 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -108.8 | 149.9 | 162.5 | 36 | -25.2 | 0 | 0 | 0 | 112.3 | ||||
| 227 | S | 48.2 | Very low | 48.7 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -149.8 | 109.4 | 171.6 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 228 | K | 48.8 | Very low | 49.1 | Very low | 210 Ų | 210 | 147.6 Ų | 147.6 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | 44 | 128 | 131.8 | -68.8 | 176.3 | 174.9 | 174.5 | 0 | 119.9 | ||||
| 229 | K | 51.3 | Low | 49 | Very low | 209 Ų | 209 | 147.7 Ų | 147.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | -168.7 | 132.9 | 101.2 | -158.9 | 165.6 | -178.9 | 177.4 | 0 | 113.1 | |||||
| 230 | N | 45.8 | Very low | 49 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -61.4 | 162.4 | 175.7 | -78.4 | -13.6 | 0 | 0 | 0 | 115 | ||||
| 231 | T | 50.4 | Low | 48.8 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 179.2 | 102.1 | 118.9 | -65 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 232 | V | 48.6 | Very low | 48.9 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | 70.5 | 129 | 105.4 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 233 | S | 49.2 | Very low | 49.1 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 58% | 0.58 | 77% | 0.766 | S | S | * | * | cis | -179.8 | 157.7 | 1 | 45.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 234 | N | 47.4 | Very low | 48.9 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 73.5 | 135.9 | 157.8 | -53.3 | -17.7 | 0 | 0 | 0 | 117.8 | ||||
| 235 | E | 49.8 | Very low | 48.7 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | cis | -165.1 | 169.3 | -3.6 | -109 | -160.8 | 117.3 | 0 | 0 | 107.9 | ||||
| 236 | P | 47.8 | Very low | 48.5 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -120.4 | -169.7 | -148.8 | 43.6 | -32.6 | 0 | 0 | 0 | 116.7 | ||||
| 237 | S | 48.7 | Very low | 48.7 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 94.4 | 125.9 | 170.8 | 78.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 238 | I | 54.5 | Low | 48.9 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | -158.2 | 123.3 | 52 | -111.5 | 146.5 | 0 | 0 | 0 | 107 | |||||
| 239 | D | 49.3 | Very low | 49.2 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | 82 | 131.3 | 82.1 | -165.2 | 37.9 | 0 | 0 | 0 | 116.4 | |||||
| 240 | N | 48.4 | Very low | 49.1 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | 94.2 | 102.3 | 170.4 | -64.9 | -60.3 | 0 | 0 | 0 | 118.3 | ||||
| 241 | S | 45.4 | Very low | 49.1 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | 61.2 | 134.9 | 67.3 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 242 | S | 45.2 | Very low | 49.3 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -169.6 | 129.2 | 0.2 | -132.2 | 0 | 0 | 0 | 0 | 102.1 | ||||
| 243 | Q | 53.1 | Low | 49 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | 87.6 | 123.9 | 93.2 | -167.9 | 166.2 | -20.1 | 0 | 0 | 114.3 | |||||
| 244 | Q | 46.5 | Very low | 48.9 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.682 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 149.3 | 154.6 | -71.7 | 176.3 | -71.1 | 0 | 0 | 117.1 | ||||
| 245 | D | 46.4 | Very low | 48.7 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | cis | -171.3 | 157.6 | -1.1 | -113.8 | -42 | 0 | 0 | 0 | 104.5 | ||||
| 246 | I | 49 | Very low | 48.6 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | 64.6 | 114.2 | 146.5 | -65.1 | 161.7 | 0 | 0 | 0 | 118.6 | ||||
| 247 | D | 49.8 | Very low | 48.4 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | 163.8 | 148.7 | 96.6 | -127.9 | -38.5 | 0 | 0 | 0 | 111.7 | |||||
| 248 | E | 51.3 | Low | 48.4 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -72.8 | 163.3 | 172.9 | -149.4 | 173.5 | 150.4 | 0 | 0 | 110.3 | ||||
| 249 | P | 56.3 | Low | 47.9 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | -151.8 | 149.5 | 105.2 | 34.9 | -16.1 | 0 | 0 | 0 | 117.2 | |||||
| 250 | D | 48.4 | Very low | 47.6 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 12.9 | 133.7 | 139.8 | -73 | -50.7 | 0 | 0 | 0 | 123.4 | ||||
| 251 | D | 46 | Very low | 47.3 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | 44.4 | 117.8 | 125.6 | -160.1 | 18.9 | 0 | 0 | 0 | 120.5 | |||||
| 252 | M | 54 | Low | 47 | Very low | 188 Ų | 188 | 137 Ų | 137 | 93% | 0.926 | 75% | 0.751 | S | S | * | * | trans | -152.5 | 118.9 | 137.8 | -83.8 | -51.7 | 158.1 | 0 | 0 | 111.8 | ||||
| 253 | S | 42.8 | Very low | 47 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 145.5 | 161.3 | 177.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 254 | S | 47.2 | Very low | 46.5 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -161.5 | 123.2 | 141.1 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 255 | E | 42 | Very low | 46.2 | Very low | 165 Ų | 165 | 135 Ų | 135 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -51.6 | 155.4 | 161.3 | -72.2 | 176.7 | 87.4 | 0 | 0 | 113.5 | ||||
| 256 | S | 49.5 | Very low | 45.9 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -153.7 | 110.1 | 137.1 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 257 | E | 41.9 | Very low | 45.6 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -73.8 | 145 | 157.8 | -53.2 | -153.7 | 143.1 | 0 | 0 | 109.4 | ||||
| 258 | N | 49.5 | Very low | 45.2 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -150.7 | 139.7 | 144.3 | -158.2 | 17.5 | 0 | 0 | 0 | 112 | ||||
| 259 | S | 43.3 | Very low | 44.8 | Very low | 79 Ų | 79 | 132.5 Ų | 132.5 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | trans | -100.8 | 152.4 | -166.9 | -170.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 260 | E | 43 | Very low | 44.3 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 23.6 | 131.5 | 143.1 | -58.2 | -175.5 | 131.6 | 0 | 0 | 122.3 | ||||
| 261 | S | 42.7 | Very low | 44.1 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | 168.5 | 112.5 | 128.7 | 38.7 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 262 | D | 40 | Very low | 43.7 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | 71.8 | 154 | 83 | -109.6 | -46.3 | 0 | 0 | 0 | 116.1 | |||||
| 263 | I | 44.8 | Very low | 43.2 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 88.9 | 87 | 165.7 | -162.3 | 164 | 0 | 0 | 0 | 122.2 | ||||
| 264 | S | 41.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | 59.4 | 145.2 | 115.8 | 95.8 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 265 | S | 40.3 | Very low | 43.5 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 82.8 | 143.7 | 143.1 | 83.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 266 | V | 40.7 | Very low | 43.7 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | cis | -174.7 | 159.1 | 3.5 | 127.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 267 | A | 42.6 | Very low | 43.4 | Very low | 79 Ų | 79 | 140.8 Ų | 140.8 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | 68.5 | 114.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 268 | E | 41.4 | Very low | 43.4 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 98.7 | 145.2 | 62.8 | -106.3 | -174.2 | 118.7 | 0 | 0 | 112.9 | |||||
| 269 | S | 43.1 | Very low | 43.1 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | 88.5 | 135.8 | 167.7 | -66 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 270 | I | 45.7 | Very low | 43 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -173 | 144.2 | -7.6 | -111.4 | 161.1 | 0 | 0 | 0 | 106.4 | ||||
| 271 | E | 44.2 | Very low | 43.4 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 61% | 0.607 | 78% | 0.776 | S | S | * | * | trans | 53.8 | 123.1 | 148.2 | -68.9 | -178.3 | 110.7 | 0 | 0 | 126.1 | ||||
| 272 | K | 38.5 | Very low | 43.4 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 52.1 | 120 | 120.9 | -57 | 172.2 | -174.8 | 159.9 | 0 | 118.7 | |||||
| 273 | K | 42.7 | Very low | 44.1 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | 179.2 | 148.7 | 104.1 | -95 | 178.3 | -176.3 | -177 | 0 | 113.4 | |||||
| 274 | Q | 44.4 | Very low | 44.3 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -89.5 | 177.4 | -175.3 | -104.4 | -156.2 | 7.2 | 0 | 0 | 113 | ||||
| 275 | P | 52.4 | Low | 44.7 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -102.3 | 179.5 | -139.7 | 41.7 | -38.1 | 0 | 0 | 0 | 115.6 | ||||
| 276 | P | 44.7 | Very low | 45.1 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -149.2 | 138 | 130.2 | 32.8 | -13.2 | 0 | 0 | 0 | 117.9 | ||||
| 277 | K | 43.8 | Very low | 45.4 | Very low | 186 Ų | 186 | 160.2 Ų | 160.2 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | 28 | 126.7 | 128.8 | -71.1 | 174.3 | -177.3 | 167.7 | 0 | 122.1 | |||||
| 278 | K | 42.1 | Very low | 46 | Very low | 185 Ų | 185 | 166.6 Ų | 166.6 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 78.4 | 116.8 | 130.6 | -68.8 | 179.4 | 179.1 | -174 | 0 | 120.7 | ||||
| 279 | R | 44.4 | Very low | 46 | Very low | 243 Ų | 243 | 163.5 Ų | 163.5 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | 160 | 110.9 | 124.9 | -91.5 | 168.3 | 141.9 | -172.4 | -7.5 | 107.9 | |||||
| 280 | A | 40 | Very low | 46.5 | Very low | 86 Ų | 86 | 162.7 Ų | 162.7 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | 78 | 133.3 | 70.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 281 | L | 50.7 | Low | 46.8 | Very low | 170 Ų | 170 | 165.9 Ų | 165.9 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | 85.9 | 133.5 | 177.6 | -77.4 | 74.6 | 0 | 0 | 0 | 115.5 | ||||
| 282 | S | 44.2 | Very low | 47.1 | Very low | 98 Ų | 98 | 166 Ų | 166 | 69% | 0.685 | 84% | 0.838 | S | S | * | * | cis | -168 | 138.1 | 11.5 | 39.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 283 | Q | 53.7 | Low | 47.8 | Very low | 183 Ų | 183 | 163.3 Ų | 163.3 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | trans | 42.3 | 121.1 | 136 | -56.8 | 177.3 | 5.1 | 0 | 0 | 121 | ||||
| 284 | Q | 49.2 | Very low | 48 | Very low | 203 Ų | 203 | 159.6 Ų | 159.6 | 95% | 0.949 | 84% | 0.835 | S | S | * | * | -162.9 | 141.9 | 119.5 | -104.4 | 172.8 | 15.9 | 0 | 0 | 112.5 | |||||
| 285 | Q | 50.7 | Low | 48.4 | Very low | 185 Ų | 185 | 159.8 Ų | 159.8 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -91.7 | 149.7 | -163.8 | -63.5 | 159.8 | -30.9 | 0 | 0 | 112.9 | ||||
| 286 | K | 47.1 | Very low | 47.9 | Very low | 214 Ų | 214 | 166 Ų | 166 | 93% | 0.93 | 84% | 0.842 | S | S | * | * | trans | -160.4 | 114.3 | 140.8 | -116.1 | 168 | -176.1 | 173 | 0 | 111 | ||||
| 287 | Q | 47.4 | Very low | 47.9 | Very low | 183 Ų | 183 | 164.7 Ų | 164.7 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | trans | -99.2 | 146.2 | 177.2 | -68.6 | 178.2 | -17.6 | 0 | 0 | 111.2 | ||||
| 288 | K | 55.7 | Low | 47.9 | Very low | 212 Ų | 212 | 165.5 Ų | 165.5 | 92% | 0.922 | 85% | 0.845 | S | S | * | * | trans | -149.2 | 129 | 150.5 | -75.3 | -169.5 | 178 | -178.2 | 0 | 109 | ||||
| 289 | P | 42.1 | Very low | 47.6 | Very low | 125 Ų | 125 | 166.3 Ų | 166.3 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | trans | -127.5 | 140.6 | 157.2 | 34.2 | -20.1 | 0 | 0 | 0 | 112.7 | ||||
| 290 | G | 53.6 | Low | 47.8 | Very low | 82 Ų | 82 | 162.3 Ų | 162.3 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | -107.1 | 132.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 291 | K | 52.1 | Low | 47.9 | Very low | 201 Ų | 201 | 165.7 Ų | 165.7 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -72.7 | 166.3 | -179.8 | -70.5 | 172 | 173.3 | 175.7 | 0 | 113.7 | ||||
| 292 | P | 50.6 | Low | 47.7 | Very low | 133 Ų | 133 | 165.4 Ų | 165.4 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | -125 | 143.9 | 128.6 | 35.1 | -25.4 | 0 | 0 | 0 | 112.6 | |||||
| 293 | S | 52.9 | Low | 47.6 | Very low | 109 Ų | 109 | 166.1 Ų | 166.1 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | trans | -101.6 | 136 | -176.4 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 294 | V | 46.4 | Very low | 47.1 | Very low | 130 Ų | 130 | 164.4 Ų | 164.4 | 79% | 0.788 | 84% | 0.841 | S | S | * | * | trans | -89.3 | 137.7 | 169.2 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 295 | K | 53.7 | Low | 46.8 | Very low | 199 Ų | 199 | 161.3 Ų | 161.3 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | trans | -142.3 | 125.7 | 156.5 | -80.6 | -168.5 | 178.5 | 177.4 | 0 | 111.3 | ||||
| 296 | R | 41.3 | Very low | 46.4 | Very low | 240 Ų | 240 | 160.8 Ų | 160.8 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -65.7 | 152.8 | 168.8 | -79.6 | 167.5 | 151.3 | 176 | -7.9 | 112.2 | ||||
| 297 | A | 44 | Very low | 46.3 | Very low | 92 Ų | 92 | 158.4 Ų | 158.4 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | 162.9 | 138 | 108.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 298 | K | 44.3 | Very low | 46.3 | Very low | 203 Ų | 203 | 158 Ų | 158 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | 58.8 | 117.4 | 149.4 | -73.1 | 174.8 | 172 | 177.7 | 0 | 119.3 | ||||
| 299 | K | 36.6 | Very low | 45.8 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | 76.9 | 110.6 | 60.9 | -163.1 | -175.6 | -173.8 | -174.4 | 0 | 114.3 | |||||
| 300 | H | 47.8 | Very low | 45.9 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | 168 | 108.1 | 144.2 | -172.2 | -91.6 | 0 | 0 | 0 | 107.8 | ||||
| 301 | E | 41.4 | Very low | 46 | Very low | 156 Ų | 156 | 159.4 Ų | 159.4 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | 95.6 | 151.8 | 83.2 | -134.5 | 175.7 | 133.4 | 0 | 0 | 113.9 | |||||
| 302 | L | 46.5 | Very low | 45.7 | Very low | 164 Ų | 164 | 158 Ų | 158 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -88.4 | 160.2 | -149.2 | -68.2 | 142.4 | 0 | 0 | 0 | 116.5 | ||||
| 303 | S | 42.9 | Very low | 45.6 | Very low | 114 Ų | 114 | 160.1 Ų | 160.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 165.9 | 108.5 | 146.6 | 33.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 304 | D | 42.1 | Very low | 45.4 | Very low | 146 Ų | 146 | 160.5 Ų | 160.5 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | 53.9 | 112.9 | 66.6 | -152.7 | 17.9 | 0 | 0 | 0 | 113.9 | |||||
| 305 | T | 43.2 | Very low | 45.3 | Very low | 139 Ų | 139 | 158.7 Ų | 158.7 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | 176.5 | 128.6 | 134.3 | -47.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 306 | E | 43.2 | Very low | 44.8 | Very low | 173 Ų | 173 | 154.2 Ų | 154.2 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -77.1 | 150.6 | 173.4 | -50 | 177.1 | 137.2 | 0 | 0 | 111.3 | ||||
| 307 | D | 45.3 | Very low | 45 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -164.7 | 137.6 | 146.3 | -128.7 | -44.7 | 0 | 0 | 0 | 113 | ||||
| 308 | E | 46.8 | Very low | 45.4 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -87.6 | 152.5 | 178.3 | -69.6 | -150.8 | 130.2 | 0 | 0 | 111.8 | ||||
| 309 | N | 45.2 | Very low | 45.6 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -159.1 | 140.2 | 136.2 | -128.9 | -53.7 | 0 | 0 | 0 | 115.3 | ||||
| 310 | D | 44.1 | Very low | 46 | Very low | 95 Ų | 95 | 156.7 Ų | 156.7 | 51% | 0.508 | 79% | 0.789 | S | S | . | * | trans | -82.8 | 146.3 | -175.4 | -170.9 | -70.7 | 0 | 0 | 0 | 111.1 | K312 | D310-K312 PolarHBondContact OD1-N 3.39Š| ||
| 311 | H | 54.8 | Low | 45.8 | Very low | 193 Ų | 193 | 157.3 Ų | 157.3 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -151.8 | 102.5 | 149.2 | -88 | -41.6 | 0 | 0 | 0 | 113 | ||||
| 312 | K | 45.9 | Very low | 46 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -55.5 | 144.6 | 161.7 | -70 | 160.8 | -178.7 | 166.9 | 0 | 114.6 | D310 | D310-K312 PolarHBondContact OD1-N 3.39Š| ||
| 313 | H | 48.5 | Very low | 46 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -155.7 | 124.4 | 132.1 | -157 | -84.7 | 0 | 0 | 0 | 112.4 | ||||
| 314 | V | 48.6 | Very low | 46.1 | Very low | 117 Ų | 117 | 156.2 Ų | 156.2 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -121.6 | 150.1 | 171.6 | -169.6 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 315 | P | 45.1 | Very low | 46.4 | Very low | 93 Ų | 93 | 155.8 Ų | 155.8 | 60% | 0.604 | 79% | 0.788 | S | S | * | * | -165.7 | 173.9 | 59.5 | 41.8 | -15.8 | 0 | 0 | 0 | 122.1 | |||||
| 316 | T | 43.6 | Very low | 47 | Very low | 104 Ų | 104 | 158.5 Ų | 158.5 | 64% | 0.638 | 79% | 0.792 | S | S | * | * | trans | 78.7 | 116.9 | 139 | 38 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 317 | K | 45.9 | Very low | 47.6 | Very low | 185 Ų | 185 | 158 Ų | 158 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 66 | 118.8 | 126 | -68.3 | 170.7 | -177.2 | 175.9 | 0 | 119.2 | |||||
| 318 | M | 52.5 | Low | 48.2 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | -172.7 | 139.1 | 101.5 | -91.1 | -173.3 | -171.2 | 0 | 0 | 111.8 | |||||
| 319 | K | 47.3 | Very low | 48.9 | Very low | 206 Ų | 206 | 156.1 Ų | 156.1 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -62.7 | 148.1 | 174.1 | -78.1 | 169.7 | 164.3 | 176.2 | 0 | 111.8 | ||||
| 320 | K | 45.7 | Very low | 49.5 | Very low | 204 Ų | 204 | 152.8 Ų | 152.8 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | 171.9 | 148.5 | 100.3 | -157.2 | 157.6 | -176.7 | 175.5 | 0 | 111.3 | |||||
| 321 | E | 43.4 | Very low | 50.2 | Low | 173 Ų | 173 | 155.6 Ų | 155.6 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 152.4 | -165.5 | -54.2 | 177 | 172.6 | 0 | 0 | 114.5 | ||||
| 322 | L | 46.2 | Very low | 50.1 | Low | 158 Ų | 158 | 150.7 Ų | 150.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 166.1 | 125.2 | 126.3 | -86.3 | 159.9 | 0 | 0 | 0 | 111.6 | |||||
| 323 | D | 46.8 | Very low | 50.4 | Low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | 57.9 | 128.8 | 144.9 | -96.2 | -37 | 0 | 0 | 0 | 123.6 | ||||
| 324 | S | 44 | Very low | 50.5 | Low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 88.8 | 135.7 | 139.8 | -145 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 325 | D | 48.6 | Very low | 50.3 | Low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 86.4 | 82.6 | 161.6 | -79.2 | -94.1 | 0 | 0 | 0 | 119.7 | E327 | D325-E327 PolarHBondContact O-N 2.91Å; D325-E327 VanDerWaalsContact O-N 3.13Å | ||
| 326 | E | 55.8 | Low | 50.2 | Low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -71.1 | 77.5 | 162.8 | -78.1 | -172.5 | 112.1 | 0 | 0 | 112.6 | ||||
| 327 | E | 55.7 | Low | 50.1 | Low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -148.6 | 69.1 | 168.8 | -73.9 | -81.4 | 142.8 | 0 | 0 | 110.2 | D325 | D325-E327 PolarHBondContact O-N 2.91Å; D325-E327 VanDerWaalsContact O-N 3.13Å | ||
| 328 | N | 58.1 | Low | 50.3 | Low | 169 Ų | 169 | 145.5 Ų | 145.5 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | 175.4 | 84.5 | 152.8 | -106 | -80.7 | 0 | 0 | 0 | 111.6 | ||||
| 329 | V | 61.1 | Low | 50.2 | Low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | -122.5 | 130.3 | 163.8 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 330 | P | 58.8 | Low | 50.5 | Low | 90 Ų | 90 | 136.1 Ų | 136.1 | 58% | 0.584 | 74% | 0.74 | S | S | * | * | trans | -60.8 | 143.4 | -167.4 | 24.7 | -35.3 | 0 | 0 | 0 | 112.1 | S332 | P330-S332 PolarHBondContact O-N 3.12Š| ||
| 331 | L | 58.3 | Low | 51.5 | Low | 153 Ų | 153 | 132 Ų | 132 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -52.2 | 5.9 | 175.9 | -93.1 | 155.7 | 0 | 0 | 0 | 116.2 | S333 L334 | L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.92Å; L331-L334 HydrophobicContact CD2-CD1 4.5Å |
| 332 | S | 52.8 | Low | 52.5 | Low | 90 Ų | 90 | 126.5 Ų | 126.5 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -78.7 | -2.9 | 176.8 | 54 | 0 | 0 | 0 | 0 | 114.6 | P330 | P330-S332 PolarHBondContact O-N 3.12Š|
| 333 | S | 51.2 | Low | 53.7 | Low | 74 Ų | 74 | 119.2 Ų | 119.2 | 52% | 0.517 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -92.8 | -13.7 | 175.2 | 68.5 | 0 | 0 | 0 | 0 | 114.8 | L331 S336 | L331-S333 VanDerWaalsContact C-N 3.3Å; L331-S333 PolarHBondContact O-N 2.92Å; S333-S336 PolarHBondContact O-N 3.4Å; S333-S336 PolarHBondContact O-OG 3.4Å |
| 334 | L | 50.6 | Low | 55.3 | Low | 146 Ų | 146 | 116 Ų | 116 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 1.7 | -179.1 | -85.5 | 123.4 | 0 | 0 | 0 | 114.8 | L331 | L331-L334 HydrophobicContact CD2-CD1 4.5Š|
| 335 | T | 44.5 | Very low | 57.3 | Low | 118 Ų | 118 | 114.9 Ų | 114.9 | 72% | 0.724 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 37.3 | 162.2 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | T337 | T335-T337 PolarHBondContact O-N 3.18Å; T335-T337 VanDerWaalsContact O-N 3.12Å |
| 336 | S | 43 | Very low | 59.2 | Low | 78 Ų | 78 | 112 Ų | 112 | 55% | 0.545 | 63% | 0.631 | S | S | . | * | trans | -70.4 | 103.2 | 157.2 | -57.3 | 0 | 0 | 0 | 0 | 104.8 | S333 K338 | S333-S336 PolarHBondContact O-N 3.4Å; S333-S336 PolarHBondContact O-OG 3.4Å; S336-K338 PolarHBondContact O-N 3.01Å; S336-K338 VanDerWaalsContact O-N 3.1Å | ||
| 337 | T | 41.3 | Very low | 60.7 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | 14.2 | 94.9 | 105.5 | 48.3 | 0 | 0 | 0 | 0 | 109 | T335 V339 | T335-T337 PolarHBondContact O-N 3.18Å; T335-T337 VanDerWaalsContact O-N 3.12Å; T337-V339 PolarHBondContact O-N 2.95Å | |||
| 338 | K | 50.6 | Low | 62.3 | Low | 215 Ų | 215 | 99.6 Ų | 99.6 | 94% | 0.935 | 57% | 0.573 | S | S | * | * | trans | -63.6 | 79.7 | 144 | -100 | -174 | 177.8 | -173.4 | 0 | 103.2 | S336 T340 | S336-K338 PolarHBondContact O-N 3.01Å; S336-K338 VanDerWaalsContact O-N 3.1Å; K338-T340 PolarHBondContact O-N 3.3Å | ||
| 339 | V | 49.9 | Very low | 63.7 | Low | 80 Ų | 80 | 95.5 Ų | 95.5 | 49% | 0.485 | 55% | 0.547 | S | S | . | . | trans | -42.3 | 135.1 | 162.3 | 177.6 | 0 | 0 | 0 | 0 | 104 | T337 I341 | T337-V339 PolarHBondContact O-N 2.95Å; V339-I341 HydrophobicContact CB-CD1 4.16Å; V339-I341 HydrophobicContact CB-CG1 4Å; V339-I341 HydrophobicContact CG1-CD1 4.39Å; V339-I341 HydrophobicContact CG1-CG1 3.89Å; V339-I341 PolarHBondContact O-N 3.18Å | ||
| 340 | T | 54 | Low | 65.1 | Low | 123 Ų | 123 | 96 Ų | 96 | 76% | 0.755 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -47.8 | 58.7 | 169.1 | 46.2 | 0 | 0 | 0 | 0 | 112.1 | K338 P342 | K338-T340 PolarHBondContact O-N 3.3Å; T340-P342 WeakPolarHBondContact O-CD 3.34Å |
| 341 | I | 66 | Low | 66.4 | Low | 117 Ų | 117 | 94.1 Ų | 94.1 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | trans | -96.5 | 110.8 | 176.1 | -58.3 | 171.3 | 0 | 0 | 0 | 104.1 | V339 I380 | V339-I341 HydrophobicContact CB-CD1 4.16Å; V339-I341 HydrophobicContact CB-CG1 4Å; V339-I341 HydrophobicContact CG1-CD1 4.39Å; V339-I341 HydrophobicContact CG1-CG1 3.89Å; V339-I341 PolarHBondContact O-N 3.18Å; I341-I380 WeakPolarHBondContact O-CD1 3.12Å | ||
| 342 | P | 66.2 | Low | 67.8 | Low | 58 Ų | 58 | 86.9 Ų | 86.9 | 38% | 0.377 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 139.7 | 178.4 | 30.4 | -36.3 | 0 | 0 | 0 | 108.8 | T340 I380 R385 | T340-P342 WeakPolarHBondContact O-CD 3.34Å; P342-I380 HydrophobicContact CB-CG2 4.13Å; P342-R385 VanDerWaalsContact CG-NH2 3.34Å; P342-R385 PolarHBondContact O-NH2 3.32Å |
| 343 | P | 71.3 | Confident | 69.5 | Low | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.039 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 148.4 | -173.4 | 23.1 | -34 | 0 | 0 | 0 | 110.2 | L348 Y377 L382 R385 | P343-L348 HydrophobicContact CB-CG 4.23Å; P343-L348 HydrophobicContact CG-CD1 4.05Å; P343-L348 HydrophobicContact CG-CD2 3.84Å; P343-L348 HydrophobicContact CG-CG 3.83Å; P343-Y377 HydrophobicContact CB-CD1 4.42Å; P343-Y377 HydrophobicContact CB-CE1 3.74Å; P343-Y377 HydrophobicContact CB-CE2 4.49Å; P343-Y377 HydrophobicContact CG-CD1 4.28Å; P343-Y377 HydrophobicContact CG-CE1 4.03Å; P343-Y377 HydrophobicContact CG-CE2 4.31Å; P343-L382 HydrophobicContact CG-CD2 3.52Å; P343-R385 PolarHBondContact O-NH1 2.78Å; P343-R385 PolarHBondContact O-NH2 3.1Å |
| 344 | T | 80.7 | Confident | 71.2 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 148.2 | -177.9 | -55.5 | 0 | 0 | 0 | 0 | 110.1 | S346 E347 L348 | T344-S346 PolarHBondContact O-N 3.5Å; T344-S346 VanDerWaalsContact O-N 3.12Å; T344-E347 PolarHBondContact N-OE2 3.16Å; T344-E347 WeakPolarHBondContact O-CA 3.48Å; T344-E347 WeakPolarHBondContact O-CB 3.3Å; T344-E347 PolarHBondContact O-N 3.04Å; T344-L348 PolarHBondContact O-N 3.12Å |
| 345 | D | 85.9 | Confident | 72.9 | Confident | 78 Ų | 78 | 79.7 Ų | 79.7 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -52 | -37.3 | 179.6 | -74.7 | -6.9 | 0 | 0 | 0 | 112.5 | E347 L348 K349 R385 F388 | D345-E347 VanDerWaalsContact C-N 3.34Å; D345-E347 PolarHBondContact O-N 3.32Å; D345-L348 PolarHBondContact O-N 3.29Å; D345-K349 WeakPolarHBondContact O-CG 3.31Å; D345-K349 PolarHBondContact O-N 3.19Å; D345-R385 IonicContact OD1-CZ 4Å; D345-R385 IonicContact OD1-NH1 2.62Å; D345-R385 PolarHBondContact OD1-NH1 3Å; D345-F388 HydrophobicContact CB-CE1 4.21Å; D345-F388 HydrophobicContact CB-CE2 4.23Å; D345-F388 HydrophobicContact CB-CZ 3.67Å |
| 346 | S | 87.4 | Confident | 74.8 | Confident | 77 Ų | 77 | 74.2 Ų | 74.2 | 54% | 0.538 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | T344 K350 | T344-S346 PolarHBondContact O-N 3.5Å; T344-S346 VanDerWaalsContact O-N 3.12Å; S346-K350 VanDerWaalsContact O-CG 3.3Å; S346-K350 WeakPolarHBondContact O-CG 3.2Å; S346-K350 PolarHBondContact O-N 3.44Å |
| 347 | E | 88.3 | Confident | 76.7 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.1 | -40.8 | 176.2 | -62.9 | 177 | 151 | 0 | 0 | 110.7 | T344 D345 K350 N351 | T344-E347 PolarHBondContact N-OE2 3.16Å; T344-E347 WeakPolarHBondContact O-CA 3.48Å; T344-E347 WeakPolarHBondContact O-CB 3.3Å; T344-E347 PolarHBondContact O-N 3.04Å; D345-E347 VanDerWaalsContact C-N 3.34Å; D345-E347 PolarHBondContact O-N 3.32Å; E347-K350 PolarHBondContact O-N 2.93Å; E347-N351 PolarHBondContact O-N 2.82Å; E347-N351 PolarHBondContact O-ND2 3.06Å |
| 348 | L | 87.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.3 | -76.8 | 170.3 | 0 | 0 | 0 | 111.4 | P343 T344 D345 K350 N351 I352 I373 Y377 L382 R385 F388 | P343-L348 HydrophobicContact CB-CG 4.23Å; P343-L348 HydrophobicContact CG-CD1 4.05Å; P343-L348 HydrophobicContact CG-CD2 3.84Å; P343-L348 HydrophobicContact CG-CG 3.83Å; T344-L348 PolarHBondContact O-N 3.12Å; D345-L348 PolarHBondContact O-N 3.29Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 3.39Å; L348-N351 PolarHBondContact O-N 2.89Å; L348-I352 VanDerWaalsContact O-CD1 3.32Å; L348-I352 WeakPolarHBondContact O-CD1 3.38Å; L348-I352 WeakPolarHBondContact O-CG1 3.37Å; L348-I352 PolarHBondContact O-N 3.37Å; L348-I373 HydrophobicContact CD2-CG2 4Å; L348-Y377 HydrophobicContact CD2-CE2 4.04Å; L348-L382 HydrophobicContact CD1-CD2 4.34Å; L348-L382 HydrophobicContact CD2-CD1 3.98Å; L348-L382 HydrophobicContact CD2-CD2 4.26Å; L348-R385 HydrophobicContact CD1-CB 4.21Å; L348-R385 HydrophobicContact CD1-CG 4.39Å; L348-R385 VanDerWaalsContact CD1-NH1 3.29Å; L348-F388 HydrophobicContact CB-CD1 4.48Å; L348-F388 HydrophobicContact CB-CE1 4.04Å |
| 349 | K | 88.4 | Confident | 79.9 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 176.4 | -72.9 | -168.3 | 179.2 | -162.6 | 0 | 112.3 | D345 I352 I353 F388 T392 | D345-K349 WeakPolarHBondContact O-CG 3.31Å; D345-K349 PolarHBondContact O-N 3.19Å; K349-I352 PolarHBondContact O-N 3.42Å; K349-I353 WeakPolarHBondContact O-CD1 3.28Å; K349-I353 VanDerWaalsContact O-CG1 3.27Å; K349-I353 WeakPolarHBondContact O-CG1 3.48Å; K349-I353 PolarHBondContact O-N 3.49Å; K349-F388 HydrophobicContact CD-CZ 3.87Å; K349-F388 VanDerWaalsContact CE-CE2 3.47Å; K349-F388 HydrophobicContact CG-CE1 3.72Å; K349-F388 HydrophobicContact CG-CZ 3.47Å; K349-F388 VanDerWaalsContact CG-CZ 3.47Å; K349-T392 HydrophobicContact CG-CG2 4.04Å |
| 350 | K | 89.4 | Confident | 80.9 | Confident | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.617 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.5 | -47.7 | 177.8 | -74 | 174.8 | -178.6 | -176.6 | 0 | 111.7 | S346 E347 L348 I352 I353 D354 | S346-K350 VanDerWaalsContact O-CG 3.3Å; S346-K350 WeakPolarHBondContact O-CG 3.2Å; S346-K350 PolarHBondContact O-N 3.44Å; E347-K350 PolarHBondContact O-N 2.93Å; L348-K350 VanDerWaalsContact C-N 3.34Å; L348-K350 PolarHBondContact O-N 3.39Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I352 PolarHBondContact O-N 3.1Å; K350-I353 PolarHBondContact O-N 3.39Å; K350-D354 PolarHBondContact O-N 3.03Å |
| 351 | N | 87.1 | Confident | 81.8 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 178.1 | -78.1 | -34.3 | 0 | 0 | 0 | 113 | E347 L348 L355 Y377 | E347-N351 PolarHBondContact O-N 2.82Å; E347-N351 PolarHBondContact O-ND2 3.06Å; L348-N351 PolarHBondContact O-N 2.89Å; N351-L355 VanDerWaalsContact O-CB 3.28Å; N351-L355 WeakPolarHBondContact O-CB 3.46Å; N351-L355 PolarHBondContact O-N 3.08Å; N351-Y377 PolarHBondContact ND2-OH 3.11Å |
| 352 | I | 88.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.5 | -50 | 173.2 | -68.3 | 157.2 | 0 | 0 | 0 | 110.1 | L348 K349 K350 D354 L355 L356 I373 I389 T392 V393 | L348-I352 VanDerWaalsContact O-CD1 3.32Å; L348-I352 WeakPolarHBondContact O-CD1 3.38Å; L348-I352 WeakPolarHBondContact O-CG1 3.37Å; L348-I352 PolarHBondContact O-N 3.37Å; K349-I352 PolarHBondContact O-N 3.42Å; K350-I352 VanDerWaalsContact C-N 3.33Å; K350-I352 PolarHBondContact O-N 3.1Å; I352-D354 PolarHBondContact O-N 3.28Å; I352-L355 PolarHBondContact O-N 3.12Å; I352-L356 HydrophobicContact CG2-CD1 3.88Å; I352-L356 HydrophobicContact CG2-CG 4.4Å; I352-L356 WeakPolarHBondContact O-CG 3.47Å; I352-L356 PolarHBondContact O-N 3.17Å; I352-I373 HydrophobicContact CB-CD1 4.42Å; I352-I373 HydrophobicContact CD1-CD1 4.33Å; I352-I373 HydrophobicContact CG1-CD1 3.38Å; I352-I373 HydrophobicContact CG1-CG1 4.37Å; I352-I389 HydrophobicContact CD1-CB 4.31Å; I352-I389 HydrophobicContact CD1-CG1 4.08Å; I352-I389 HydrophobicContact CD1-CG2 4.34Å; I352-I389 HydrophobicContact CG1-CG2 4.46Å; I352-T392 HydrophobicContact CB-CG2 4.38Å; I352-T392 HydrophobicContact CD1-CG2 4.01Å; I352-T392 HydrophobicContact CG2-CG2 4Å; I352-V393 HydrophobicContact CG2-CG2 3.63Å |
| 353 | I | 87.2 | Confident | 81.8 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | -179.2 | -67.4 | 163.9 | 0 | 0 | 0 | 111 | K349 K350 L355 L356 K357 F396 | K349-I353 WeakPolarHBondContact O-CD1 3.28Å; K349-I353 VanDerWaalsContact O-CG1 3.27Å; K349-I353 WeakPolarHBondContact O-CG1 3.48Å; K349-I353 PolarHBondContact O-N 3.49Å; K350-I353 PolarHBondContact O-N 3.39Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-L355 PolarHBondContact O-N 3.04Å; I353-L356 PolarHBondContact O-N 3Å; I353-K357 HydrophobicContact CG2-CD 4.3Å; I353-K357 WeakPolarHBondContact O-CG 3.5Å; I353-K357 PolarHBondContact O-N 3.01Å; I353-F396 HydrophobicContact CG1-CD2 4.17Å; I353-F396 HydrophobicContact CG1-CE2 4.26Å; I353-F396 HydrophobicContact CG2-CE2 4.1Å; I353-F396 HydrophobicContact CG2-CZ 4.48Å |
| 354 | D | 88 | Confident | 81.7 | Confident | 82 Ų | 82 | 77 Ų | 77 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 179.2 | -72 | -13.6 | 0 | 0 | 0 | 111.8 | K350 I352 K357 T358 | K350-D354 PolarHBondContact O-N 3.03Å; I352-D354 PolarHBondContact O-N 3.28Å; D354-K357 IonicContact OD1-NZ 2.67Å; D354-T358 PolarHBondContact O-N 3.1Å; D354-T358 PolarHBondContact O-OG1 3.45Å |
| 355 | L | 85.9 | Confident | 81.8 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71 | -41.7 | 174.3 | -172.4 | 65.4 | 0 | 0 | 0 | 112.2 | N351 I352 I353 K357 T358 V359 V369 K372 I373 | N351-L355 VanDerWaalsContact O-CB 3.28Å; N351-L355 WeakPolarHBondContact O-CB 3.46Å; N351-L355 PolarHBondContact O-N 3.08Å; I352-L355 PolarHBondContact O-N 3.12Å; I353-L355 VanDerWaalsContact C-N 3.27Å; I353-L355 PolarHBondContact O-N 3.04Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 2.98Å; L355-T358 PolarHBondContact O-N 2.8Å; L355-T358 VanDerWaalsContact O-N 3.09Å; L355-V359 HydrophobicContact CD1-CG2 3.78Å; L355-V359 HydrophobicContact CG-CG2 4.08Å; L355-V359 WeakPolarHBondContact O-CG2 3.47Å; L355-V359 PolarHBondContact O-N 3.06Å; L355-V369 HydrophobicContact CD2-CG1 4.12Å; L355-K372 HydrophobicContact CD1-CB 4.26Å; L355-K372 HydrophobicContact CD1-CD 3.62Å; L355-K372 HydrophobicContact CD2-CB 3.47Å; L355-K372 VanDerWaalsContact CD2-CB 3.47Å; L355-K372 HydrophobicContact CD2-CD 4.02Å; L355-K372 HydrophobicContact CD2-CG 4.36Å; L355-K372 HydrophobicContact CG-CD 4.33Å; L355-I373 HydrophobicContact CD2-CG1 4.28Å |
| 356 | L | 84.3 | Confident | 81.8 | Confident | 3 Ų | 3 | 75.4 Ų | 75.4 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -28.4 | 176.9 | -70.2 | 173.7 | 0 | 0 | 0 | 112.8 | I352 I353 T358 T364 V369 V393 F396 | I352-L356 HydrophobicContact CG2-CD1 3.88Å; I352-L356 HydrophobicContact CG2-CG 4.4Å; I352-L356 WeakPolarHBondContact O-CG 3.47Å; I352-L356 PolarHBondContact O-N 3.17Å; I353-L356 PolarHBondContact O-N 3Å; L356-T358 VanDerWaalsContact C-N 3.33Å; L356-T364 HydrophobicContact CD2-CG2 4.11Å; L356-V369 HydrophobicContact CD2-CG2 3.99Å; L356-V393 HydrophobicContact CD1-CG1 4.44Å; L356-V393 HydrophobicContact CD1-CG2 4.31Å; L356-V393 HydrophobicContact CD2-CG1 4.26Å; L356-F396 HydrophobicContact CB-CD1 4.15Å; L356-F396 HydrophobicContact CB-CE1 4.11Å; L356-F396 HydrophobicContact CD1-CB 3.84Å; L356-F396 HydrophobicContact CD1-CD1 3.55Å; L356-F396 HydrophobicContact CD1-CE1 4.33Å; L356-F396 HydrophobicContact CD1-CG 3.81Å; L356-F396 HydrophobicContact CG-CD1 4.46Å |
| 357 | K | 83.9 | Confident | 81.7 | Confident | 143 Ų | 143 | 78.4 Ų | 78.4 | 62% | 0.622 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -71.4 | -28 | 171 | -71.4 | 170.2 | -175.4 | 165.4 | 0 | 113.4 | I353 D354 L355 | I353-K357 HydrophobicContact CG2-CD 4.3Å; I353-K357 WeakPolarHBondContact O-CG 3.5Å; I353-K357 PolarHBondContact O-N 3.01Å; D354-K357 IonicContact OD1-NZ 2.67Å; L355-K357 VanDerWaalsContact C-N 3.28Å; L355-K357 PolarHBondContact O-N 2.98Å |
| 358 | T | 82.4 | Confident | 81.6 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 71% | 0.712 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -92.9 | -28.4 | -173.8 | -52.3 | 0 | 0 | 0 | 0 | 112.2 | D354 L355 L356 | D354-T358 PolarHBondContact O-N 3.1Å; D354-T358 PolarHBondContact O-OG1 3.45Å; L355-T358 PolarHBondContact O-N 2.8Å; L355-T358 VanDerWaalsContact O-N 3.09Å; L356-T358 VanDerWaalsContact C-N 3.33Å |
| 359 | V | 74.8 | Confident | 81.6 | Confident | 18 Ų | 18 | 76.4 Ų | 76.4 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -97.1 | 133.6 | -176.8 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | L355 L361 T364 K372 | L355-V359 HydrophobicContact CD1-CG2 3.78Å; L355-V359 HydrophobicContact CG-CG2 4.08Å; L355-V359 WeakPolarHBondContact O-CG2 3.47Å; L355-V359 PolarHBondContact O-N 3.06Å; V359-L361 PolarHBondContact O-N 2.93Å; V359-L361 VanDerWaalsContact O-N 3.15Å; V359-T364 HydrophobicContact CB-CG2 3.83Å; V359-T364 HydrophobicContact CG1-CG2 3.54Å; V359-K372 HydrophobicContact CG2-CD 4.45Å; V359-K372 VanDerWaalsContact CG2-NZ 3.28Å |
| 360 | N | 70.8 | Confident | 81.5 | Confident | 117 Ų | 117 | 76.1 Ų | 76.1 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | trans | -53.1 | 118.7 | 173.9 | -76.4 | -27.6 | 0 | 0 | 0 | 110.3 | E362 E363 T364 | N360-E362 PolarHBondContact O-N 3.43Å; N360-E363 PolarHBondContact O-N 3.4Å; N360-T364 WeakPolarHBondContact O-CG2 3.27Å; N360-T364 PolarHBondContact O-N 3.29Å | ||
| 361 | L | 73.4 | Confident | 81.5 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -52.8 | -32.2 | -177.2 | -82.8 | 67.5 | 0 | 0 | 0 | 111.9 | V359 E363 T364 | V359-L361 PolarHBondContact O-N 2.93Å; V359-L361 VanDerWaalsContact O-N 3.15Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E363 PolarHBondContact O-N 3.46Å; L361-T364 WeakPolarHBondContact CA-OG1 3.36Å; L361-T364 PolarHBondContact O-N 2.86Å; L361-T364 PolarHBondContact O-OG1 2.89Å |
| 362 | E | 67.3 | Low | 81.5 | Confident | 197 Ų | 197 | 76.5 Ų | 76.5 | 92% | 0.921 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.1 | -28.5 | 177.4 | -64.1 | -179.1 | 170.4 | 0 | 0 | 114 | N360 | N360-E362 PolarHBondContact O-N 3.43Š|
| 363 | E | 66.4 | Low | 81.6 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -99.4 | -0.6 | 176.6 | -66 | -171.5 | 162.7 | 0 | 0 | 113 | N360 L361 S365 | N360-E363 PolarHBondContact O-N 3.4Å; L361-E363 VanDerWaalsContact C-N 3.3Å; L361-E363 PolarHBondContact O-N 3.46Å; E363-S365 VanDerWaalsContact C-N 3.27Å; E363-S365 PolarHBondContact O-N 3.05Å |
| 364 | T | 69.1 | Low | 81.6 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | trans | -76.7 | 69.8 | -176.6 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | L356 V359 N360 L361 V369 | L356-T364 HydrophobicContact CD2-CG2 4.11Å; V359-T364 HydrophobicContact CB-CG2 3.83Å; V359-T364 HydrophobicContact CG1-CG2 3.54Å; N360-T364 WeakPolarHBondContact O-CG2 3.27Å; N360-T364 PolarHBondContact O-N 3.29Å; L361-T364 WeakPolarHBondContact CA-OG1 3.36Å; L361-T364 PolarHBondContact O-N 2.86Å; L361-T364 PolarHBondContact O-OG1 2.89Å; T364-V369 HydrophobicContact CG2-CG2 4.47Å | ||
| 365 | S | 81.9 | Confident | 81.6 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 47% | 0.469 | 39% | 0.387 | S | S | . | . | trans | -65.3 | 138.5 | 161.3 | 177.4 | 0 | 0 | 0 | 0 | 110 | E363 K367 V368 V369 | E363-S365 VanDerWaalsContact C-N 3.27Å; E363-S365 PolarHBondContact O-N 3.05Å; S365-K367 PolarHBondContact O-N 2.97Å; S365-K367 PolarHBondContact OG-N 2.81Å; S365-V368 PolarHBondContact O-N 2.9Å; S365-V369 PolarHBondContact O-N 2.99Å | ||
| 366 | L | 85.1 | Confident | 81.6 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -46.5 | -34.4 | 173.3 | -72.2 | 162 | 0 | 0 | 0 | 112.1 | R370 N390 V393 K394 | L366-R370 WeakPolarHBondContact O-CB 3.45Å; L366-R370 PolarHBondContact O-N 2.98Å; L366-N390 HydrophobicContact CD2-CB 4.36Å; L366-V393 HydrophobicContact CD2-CB 3.92Å; L366-V393 HydrophobicContact CD2-CG1 3.7Å; L366-K394 HydrophobicContact CD2-CG 4.35Å |
| 367 | K | 85.5 | Confident | 81.6 | Confident | 140 Ų | 140 | 81.4 Ų | 81.4 | 61% | 0.609 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 178.2 | -168.8 | -179.8 | 176.5 | -173.5 | 0 | 112.6 | S365 R370 E371 | S365-K367 PolarHBondContact O-N 2.97Å; S365-K367 PolarHBondContact OG-N 2.81Å; K367-R370 PolarHBondContact O-N 3.09Å; K367-E371 VanDerWaalsContact CE-OE1 3.29Å; K367-E371 WeakPolarHBondContact CE-OE1 3.49Å; K367-E371 WeakPolarHBondContact O-CG 3.23Å; K367-E371 PolarHBondContact O-N 3.19Å |
| 368 | V | 86.7 | Confident | 81.5 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 32% | 0.321 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | -179.5 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | S365 E371 K372 | S365-V368 PolarHBondContact O-N 2.9Å; V368-E371 PolarHBondContact O-N 3.2Å; V368-K372 PolarHBondContact O-N 2.76Å; V368-K372 VanDerWaalsContact O-N 3.08Å |
| 369 | V | 87.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.018 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | L355 L356 T364 S365 E371 K372 I373 V393 | L355-V369 HydrophobicContact CD2-CG1 4.12Å; L356-V369 HydrophobicContact CD2-CG2 3.99Å; T364-V369 HydrophobicContact CG2-CG2 4.47Å; S365-V369 PolarHBondContact O-N 2.99Å; V369-E371 PolarHBondContact O-N 2.86Å; V369-K372 PolarHBondContact O-N 2.97Å; V369-I373 HydrophobicContact CG1-CD1 3.7Å; V369-I373 WeakPolarHBondContact O-CD1 3.33Å; V369-I373 VanDerWaalsContact O-CG1 3.28Å; V369-I373 WeakPolarHBondContact O-CG1 3.46Å; V369-I373 PolarHBondContact O-N 3.49Å; V369-V393 HydrophobicContact CB-CG2 4.33Å; V369-V393 HydrophobicContact CG1-CG2 3.58Å |
| 370 | R | 87.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 82.8 Ų | 82.8 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 175.6 | -176.6 | -173.8 | -179.7 | -164.7 | -1.6 | 112.3 | L366 K367 I373 F374 | L366-R370 WeakPolarHBondContact O-CB 3.45Å; L366-R370 PolarHBondContact O-N 2.98Å; K367-R370 PolarHBondContact O-N 3.09Å; R370-I373 PolarHBondContact O-N 2.73Å; R370-F374 HydrophobicContact CG-CD2 4.07Å; R370-F374 HydrophobicContact CG-CE1 4.07Å; R370-F374 HydrophobicContact CG-CE2 3.61Å; R370-F374 HydrophobicContact CG-CZ 3.63Å; R370-F374 VanDerWaalsContact O-CG 3.3Å; R370-F374 WeakPolarHBondContact O-CG 3.21Å; R370-F374 PolarHBondContact O-N 2.86Å |
| 371 | E | 88.6 | Confident | 82 | Confident | 109 Ų | 109 | 83.2 Ų | 83.2 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | -179.3 | -76.5 | 175 | -172.3 | 0 | 0 | 112.1 | K367 V368 V369 I373 F374 A375 | K367-E371 VanDerWaalsContact CE-OE1 3.29Å; K367-E371 WeakPolarHBondContact CE-OE1 3.49Å; K367-E371 WeakPolarHBondContact O-CG 3.23Å; K367-E371 PolarHBondContact O-N 3.19Å; V368-E371 PolarHBondContact O-N 3.2Å; V369-E371 PolarHBondContact O-N 2.86Å; E371-I373 PolarHBondContact O-N 3.35Å; E371-F374 PolarHBondContact O-N 3.08Å; E371-A375 WeakPolarHBondContact O-CB 3.44Å; E371-A375 PolarHBondContact O-N 3.2Å |
| 372 | K | 87.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 39% | 0.391 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 177.2 | -74.3 | -170.7 | -177 | 177.1 | 0 | 112.9 | L355 V359 V368 V369 A375 N376 | L355-K372 HydrophobicContact CD1-CB 4.26Å; L355-K372 HydrophobicContact CD1-CD 3.62Å; L355-K372 HydrophobicContact CD2-CB 3.47Å; L355-K372 VanDerWaalsContact CD2-CB 3.47Å; L355-K372 HydrophobicContact CD2-CD 4.02Å; L355-K372 HydrophobicContact CD2-CG 4.36Å; L355-K372 HydrophobicContact CG-CD 4.33Å; V359-K372 HydrophobicContact CG2-CD 4.45Å; V359-K372 VanDerWaalsContact CG2-NZ 3.28Å; V368-K372 PolarHBondContact O-N 2.76Å; V368-K372 VanDerWaalsContact O-N 3.08Å; V369-K372 PolarHBondContact O-N 2.97Å; K372-A375 PolarHBondContact O-N 3.41Å; K372-N376 PolarHBondContact O-N 3.25Å |
| 373 | I | 88.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.4 | -68.5 | 160.7 | 0 | 0 | 0 | 110.8 | L348 I352 L355 V369 R370 E371 A375 N376 Y377 L382 I389 | L348-I373 HydrophobicContact CD2-CG2 4Å; I352-I373 HydrophobicContact CB-CD1 4.42Å; I352-I373 HydrophobicContact CD1-CD1 4.33Å; I352-I373 HydrophobicContact CG1-CD1 3.38Å; I352-I373 HydrophobicContact CG1-CG1 4.37Å; L355-I373 HydrophobicContact CD2-CG1 4.28Å; V369-I373 HydrophobicContact CG1-CD1 3.7Å; V369-I373 WeakPolarHBondContact O-CD1 3.33Å; V369-I373 VanDerWaalsContact O-CG1 3.28Å; V369-I373 WeakPolarHBondContact O-CG1 3.46Å; V369-I373 PolarHBondContact O-N 3.49Å; R370-I373 PolarHBondContact O-N 2.73Å; E371-I373 PolarHBondContact O-N 3.35Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.96Å; I373-N376 PolarHBondContact O-N 2.76Å; I373-Y377 WeakPolarHBondContact O-CD2 3.07Å; I373-L382 HydrophobicContact CG2-CD1 3.97Å; I373-I389 HydrophobicContact CB-CD1 4.49Å; I373-I389 HydrophobicContact CD1-CB 4.5Å; I373-I389 HydrophobicContact CD1-CD1 4.39Å; I373-I389 HydrophobicContact CD1-CG1 4.24Å; I373-I389 HydrophobicContact CD1-CG2 3.47Å; I373-I389 VanDerWaalsContact CD1-CG2 3.47Å; I373-I389 HydrophobicContact CG2-CD1 3.87Å |
| 374 | F | 89 | Confident | 83.9 | Confident | 51 Ų | 51 | 72.6 Ų | 72.6 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.8 | -35.4 | 176.5 | -67.1 | -6.5 | 0 | 0 | 0 | 112 | R370 E371 N376 Y377 L382 I389 | R370-F374 HydrophobicContact CG-CD2 4.07Å; R370-F374 HydrophobicContact CG-CE1 4.07Å; R370-F374 HydrophobicContact CG-CE2 3.61Å; R370-F374 HydrophobicContact CG-CZ 3.63Å; R370-F374 VanDerWaalsContact O-CG 3.3Å; R370-F374 WeakPolarHBondContact O-CG 3.21Å; R370-F374 PolarHBondContact O-N 2.86Å; E371-F374 PolarHBondContact O-N 3.08Å; F374-N376 VanDerWaalsContact C-N 3.27Å; F374-N376 PolarHBondContact O-N 3.46Å; F374-Y377 CarbonylContact O-C 3.57Å; F374-Y377 VanDerWaalsContact O-C 3.27Å; F374-Y377 PolarHBondContact O-N 2.96Å; F374-Y377 VanDerWaalsContact O-N 3.12Å; F374-L382 HydrophobicContact CD1-CB 3.61Å; F374-L382 HydrophobicContact CD1-CD1 3.97Å; F374-L382 HydrophobicContact CD1-CG 4.37Å; F374-L382 HydrophobicContact CE1-CB 3.3Å; F374-L382 HydrophobicContact CE1-CD1 4.37Å; F374-L382 HydrophobicContact CE1-CG 4.46Å; F374-L382 HydrophobicContact CZ-CB 4.22Å; F374-I389 HydrophobicContact CD1-CD1 4.49Å; F374-I389 HydrophobicContact CE1-CD1 3.82Å |
| 375 | A | 87.9 | Confident | 84.7 | Confident | 71 Ų | 71 | 74 Ų | 74 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.6 | -29.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E371 K372 I373 Y377 | E371-A375 WeakPolarHBondContact O-CB 3.44Å; E371-A375 PolarHBondContact O-N 3.2Å; K372-A375 PolarHBondContact O-N 3.41Å; I373-A375 VanDerWaalsContact C-N 3.31Å; I373-A375 PolarHBondContact O-N 2.96Å; A375-Y377 VanDerWaalsContact C-N 3.29Å; A375-Y377 PolarHBondContact O-N 3.36Å |
| 376 | N | 84.5 | Confident | 85 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.6 | -20.6 | 175.5 | -70.8 | -10.7 | 0 | 0 | 0 | 113.1 | K372 I373 F374 P378 | K372-N376 PolarHBondContact O-N 3.25Å; I373-N376 PolarHBondContact O-N 2.76Å; F374-N376 VanDerWaalsContact C-N 3.27Å; F374-N376 PolarHBondContact O-N 3.46Å; N376-P378 VanDerWaalsContact C-CD 3.45Å; N376-P378 WeakPolarHBondContact O-CD 3.41Å |
| 377 | Y | 85.5 | Confident | 85.2 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 17% | 0.173 | 40% | 0.396 | C | S | . | . | trans | -125.9 | 63.6 | -179.9 | -62.6 | -80.7 | 0 | 0 | 0 | 111.5 | P343 L348 N351 I373 F374 A375 N379 I380 L382 | P343-Y377 HydrophobicContact CB-CD1 4.42Å; P343-Y377 HydrophobicContact CB-CE1 3.74Å; P343-Y377 HydrophobicContact CB-CE2 4.49Å; P343-Y377 HydrophobicContact CG-CD1 4.28Å; P343-Y377 HydrophobicContact CG-CE1 4.03Å; P343-Y377 HydrophobicContact CG-CE2 4.31Å; L348-Y377 HydrophobicContact CD2-CE2 4.04Å; N351-Y377 PolarHBondContact ND2-OH 3.11Å; I373-Y377 WeakPolarHBondContact O-CD2 3.07Å; F374-Y377 CarbonylContact O-C 3.57Å; F374-Y377 VanDerWaalsContact O-C 3.27Å; F374-Y377 PolarHBondContact O-N 2.96Å; F374-Y377 VanDerWaalsContact O-N 3.12Å; A375-Y377 VanDerWaalsContact C-N 3.29Å; A375-Y377 PolarHBondContact O-N 3.36Å; Y377-N379 PolarHBondContact O-N 3.05Å; Y377-I380 HydrophobicContact CD1-CD1 4.33Å; Y377-I380 PolarHBondContact O-N 3.31Å; Y377-I380 VanDerWaalsContact O-O 3.14Å; Y377-L382 HydrophobicContact CD2-CD1 3.62Å; Y377-L382 HydrophobicContact CE2-CD1 4.45Å; Y377-L382 HydrophobicContact CG-CD1 4.01Å | ||
| 378 | P | 80.9 | Confident | 85.4 | Confident | 105 Ų | 105 | 72 Ų | 72 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14.4 | -173.5 | 27.5 | -35.6 | 0 | 0 | 0 | 114.3 | N376 | N376-P378 VanDerWaalsContact C-CD 3.45Å; N376-P378 WeakPolarHBondContact O-CD 3.41Å |
| 379 | N | 78.4 | Confident | 85.6 | Confident | 152 Ų | 152 | 69.4 Ų | 69.4 | 81% | 0.813 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 1 | -176.1 | -59 | -27.4 | 0 | 0 | 0 | 113.5 | Y377 | Y377-N379 PolarHBondContact O-N 3.05Š|
| 380 | I | 77.4 | Confident | 85.6 | Confident | 49 Ų | 49 | 71 Ų | 71 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -130.5 | 120.1 | -176.8 | -58 | 172.6 | 0 | 0 | 0 | 107.5 | I341 P342 Y377 L382 | I341-I380 WeakPolarHBondContact O-CD1 3.12Å; P342-I380 HydrophobicContact CB-CG2 4.13Å; Y377-I380 HydrophobicContact CD1-CD1 4.33Å; Y377-I380 PolarHBondContact O-N 3.31Å; Y377-I380 VanDerWaalsContact O-O 3.14Å; I380-L382 HydrophobicContact CG2-CD2 4.14Å; I380-L382 HydrophobicContact CG2-CG 4.5Å; I380-L382 PolarHBondContact O-N 2.76Å |
| 381 | D | 83.2 | Confident | 85.8 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | trans | -70.8 | 113.7 | 172 | -170.1 | 2.3 | 0 | 0 | 0 | 109.6 | S383 | D381-S383 WeakPolarHBondContact OD1-CB 3.31Å; D381-S383 PolarHBondContact OD1-N 3.3Å; D381-S383 PolarHBondContact OD1-OG 3.37Å | ||
| 382 | L | 83.1 | Confident | 85.9 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | trans | -97.7 | 15.6 | 178.2 | -67.6 | 175.6 | 0 | 0 | 0 | 111.9 | P343 L348 I373 F374 Y377 I380 D384 R385 K386 | P343-L382 HydrophobicContact CG-CD2 3.52Å; L348-L382 HydrophobicContact CD1-CD2 4.34Å; L348-L382 HydrophobicContact CD2-CD1 3.98Å; L348-L382 HydrophobicContact CD2-CD2 4.26Å; I373-L382 HydrophobicContact CG2-CD1 3.97Å; F374-L382 HydrophobicContact CD1-CB 3.61Å; F374-L382 HydrophobicContact CD1-CD1 3.97Å; F374-L382 HydrophobicContact CD1-CG 4.37Å; F374-L382 HydrophobicContact CE1-CB 3.3Å; F374-L382 HydrophobicContact CE1-CD1 4.37Å; F374-L382 HydrophobicContact CE1-CG 4.46Å; F374-L382 HydrophobicContact CZ-CB 4.22Å; Y377-L382 HydrophobicContact CD2-CD1 3.62Å; Y377-L382 HydrophobicContact CE2-CD1 4.45Å; Y377-L382 HydrophobicContact CG-CD1 4.01Å; I380-L382 HydrophobicContact CG2-CD2 4.14Å; I380-L382 HydrophobicContact CG2-CG 4.5Å; I380-L382 PolarHBondContact O-N 2.76Å; L382-D384 VanDerWaalsContact C-N 3.28Å; L382-D384 PolarHBondContact O-N 3.09Å; L382-R385 CarbonylContact O-C 3.57Å; L382-R385 PolarHBondContact O-N 3.09Å; L382-K386 PolarHBondContact O-N 3.42Å | ||
| 383 | S | 80.4 | Confident | 85.9 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -56 | -39.3 | -178.5 | -69.8 | 0 | 0 | 0 | 0 | 113.3 | D381 R385 K386 | D381-S383 WeakPolarHBondContact OD1-CB 3.31Å; D381-S383 PolarHBondContact OD1-N 3.3Å; D381-S383 PolarHBondContact OD1-OG 3.37Å; S383-R385 PolarHBondContact O-N 3.15Å; S383-K386 WeakPolarHBondContact O-CB 3.44Å; S383-K386 PolarHBondContact O-N 3.23Å |
| 384 | D | 84 | Confident | 85.8 | Confident | 157 Ų | 157 | 67.9 Ų | 67.9 | 84% | 0.84 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -67.1 | -25.5 | 177.1 | -62.5 | -29.4 | 0 | 0 | 0 | 112.8 | L382 | L382-D384 VanDerWaalsContact C-N 3.28Å; L382-D384 PolarHBondContact O-N 3.09Å |
| 385 | R | 84.4 | Confident | 85.8 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -96 | 6.7 | -178.2 | -58.5 | -171.4 | -177 | -157 | 20 | 113 | P342 P343 D345 L348 L382 S383 D387 F388 I389 | P342-R385 VanDerWaalsContact CG-NH2 3.34Å; P342-R385 PolarHBondContact O-NH2 3.32Å; P343-R385 PolarHBondContact O-NH1 2.78Å; P343-R385 PolarHBondContact O-NH2 3.1Å; D345-R385 IonicContact OD1-CZ 4Å; D345-R385 IonicContact OD1-NH1 2.62Å; D345-R385 PolarHBondContact OD1-NH1 3Å; L348-R385 HydrophobicContact CD1-CB 4.21Å; L348-R385 HydrophobicContact CD1-CG 4.39Å; L348-R385 VanDerWaalsContact CD1-NH1 3.29Å; L382-R385 CarbonylContact O-C 3.57Å; L382-R385 PolarHBondContact O-N 3.09Å; S383-R385 PolarHBondContact O-N 3.15Å; R385-D387 VanDerWaalsContact C-N 3.28Å; R385-D387 PolarHBondContact O-N 3.3Å; R385-F388 WeakPolarHBondContact O-CB 3.33Å; R385-F388 PolarHBondContact O-N 3.11Å; R385-I389 VanDerWaalsContact O-CG1 3.29Å; R385-I389 WeakPolarHBondContact O-CG1 3.47Å; R385-I389 PolarHBondContact O-N 3.4Å |
| 386 | K | 88 | Confident | 85.7 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 30% | 0.3 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -52.7 | -45.9 | 174 | 177.8 | -164.9 | 77.3 | -172.7 | 0 | 111.7 | L382 S383 F388 I389 N390 | L382-K386 PolarHBondContact O-N 3.42Å; S383-K386 WeakPolarHBondContact O-CB 3.44Å; S383-K386 PolarHBondContact O-N 3.23Å; K386-F388 VanDerWaalsContact C-N 3.35Å; K386-I389 PolarHBondContact O-N 3.05Å; K386-N390 WeakPolarHBondContact O-CB 3.34Å; K386-N390 PolarHBondContact O-N 3.02Å; K386-N390 PolarHBondContact O-ND2 3.37Å |
| 387 | D | 89.5 | Confident | 85.7 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.5 | -32.7 | -176.1 | -61.3 | -37.3 | 0 | 0 | 0 | 111.5 | R385 N390 S391 | R385-D387 VanDerWaalsContact C-N 3.28Å; R385-D387 PolarHBondContact O-N 3.3Å; D387-N390 PolarHBondContact O-N 3.32Å; D387-S391 VanDerWaalsContact O-CB 3.25Å; D387-S391 WeakPolarHBondContact O-CB 3.33Å; D387-S391 PolarHBondContact O-N 3.34Å |
| 388 | F | 90.9 | Very high | 85.6 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 170.5 | -179.9 | -98.7 | 0 | 0 | 0 | 112.3 | D345 L348 K349 R385 K386 S391 T392 | D345-F388 HydrophobicContact CB-CE1 4.21Å; D345-F388 HydrophobicContact CB-CE2 4.23Å; D345-F388 HydrophobicContact CB-CZ 3.67Å; L348-F388 HydrophobicContact CB-CD1 4.48Å; L348-F388 HydrophobicContact CB-CE1 4.04Å; K349-F388 HydrophobicContact CD-CZ 3.87Å; K349-F388 VanDerWaalsContact CE-CE2 3.47Å; K349-F388 HydrophobicContact CG-CE1 3.72Å; K349-F388 HydrophobicContact CG-CZ 3.47Å; K349-F388 VanDerWaalsContact CG-CZ 3.47Å; R385-F388 WeakPolarHBondContact O-CB 3.33Å; R385-F388 PolarHBondContact O-N 3.11Å; K386-F388 VanDerWaalsContact C-N 3.35Å; F388-S391 PolarHBondContact O-N 3.47Å; F388-T392 WeakPolarHBondContact O-CB 3.49Å; F388-T392 PolarHBondContact O-N 3.11Å; F388-T392 PolarHBondContact O-OG1 3.27Å |
| 389 | I | 89.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 174.3 | -66.8 | 162.3 | 0 | 0 | 0 | 109.6 | I352 I373 F374 R385 K386 S391 T392 V393 | I352-I389 HydrophobicContact CD1-CB 4.31Å; I352-I389 HydrophobicContact CD1-CG1 4.08Å; I352-I389 HydrophobicContact CD1-CG2 4.34Å; I352-I389 HydrophobicContact CG1-CG2 4.46Å; I373-I389 HydrophobicContact CB-CD1 4.49Å; I373-I389 HydrophobicContact CD1-CB 4.5Å; I373-I389 HydrophobicContact CD1-CD1 4.39Å; I373-I389 HydrophobicContact CD1-CG1 4.24Å; I373-I389 HydrophobicContact CD1-CG2 3.47Å; I373-I389 VanDerWaalsContact CD1-CG2 3.47Å; I373-I389 HydrophobicContact CG2-CD1 3.87Å; F374-I389 HydrophobicContact CD1-CD1 4.49Å; F374-I389 HydrophobicContact CE1-CD1 3.82Å; R385-I389 VanDerWaalsContact O-CG1 3.29Å; R385-I389 WeakPolarHBondContact O-CG1 3.47Å; R385-I389 PolarHBondContact O-N 3.4Å; K386-I389 PolarHBondContact O-N 3.05Å; I389-S391 PolarHBondContact O-N 2.87Å; I389-T392 PolarHBondContact O-N 3.14Å; I389-V393 HydrophobicContact CG2-CG2 4.42Å; I389-V393 VanDerWaalsContact O-CG2 3.23Å; I389-V393 WeakPolarHBondContact O-CG2 3.36Å; I389-V393 PolarHBondContact O-N 3.1Å |
| 390 | N | 88.4 | Confident | 85.2 | Confident | 37 Ų | 37 | 70 Ų | 70 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | -179.9 | -70.4 | -22 | 0 | 0 | 0 | 112.5 | L366 K386 D387 K394 | L366-N390 HydrophobicContact CD2-CB 4.36Å; K386-N390 WeakPolarHBondContact O-CB 3.34Å; K386-N390 PolarHBondContact O-N 3.02Å; K386-N390 PolarHBondContact O-ND2 3.37Å; D387-N390 PolarHBondContact O-N 3.32Å; N390-K394 WeakPolarHBondContact O-CB 3.39Å; N390-K394 WeakPolarHBondContact O-CG 3.46Å; N390-K394 PolarHBondContact O-N 3.15Å |
| 391 | S | 91.2 | Very high | 85.5 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 49% | 0.49 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | D387 F388 I389 K394 E395 | D387-S391 VanDerWaalsContact O-CB 3.25Å; D387-S391 WeakPolarHBondContact O-CB 3.33Å; D387-S391 PolarHBondContact O-N 3.34Å; F388-S391 PolarHBondContact O-N 3.47Å; I389-S391 PolarHBondContact O-N 2.87Å; S391-K394 PolarHBondContact O-N 3.44Å; S391-E395 WeakPolarHBondContact O-CB 3.46Å; S391-E395 PolarHBondContact O-N 3.12Å |
| 392 | T | 90.4 | Very high | 85.7 | Confident | 10 Ų | 10 | 68.2 Ų | 68.2 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 179 | -55 | 0 | 0 | 0 | 0 | 111.2 | K349 I352 F388 I389 E395 F396 | K349-T392 HydrophobicContact CG-CG2 4.04Å; I352-T392 HydrophobicContact CB-CG2 4.38Å; I352-T392 HydrophobicContact CD1-CG2 4.01Å; I352-T392 HydrophobicContact CG2-CG2 4Å; F388-T392 WeakPolarHBondContact O-CB 3.49Å; F388-T392 PolarHBondContact O-N 3.11Å; F388-T392 PolarHBondContact O-OG1 3.27Å; I389-T392 PolarHBondContact O-N 3.14Å; T392-E395 PolarHBondContact O-N 3.18Å; T392-F396 WeakPolarHBondContact O-CB 3.4Å; T392-F396 PolarHBondContact O-N 3.49Å |
| 393 | V | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 175.7 | 174 | 0 | 0 | 0 | 0 | 110.9 | I352 L356 L366 V369 I389 F396 L397 | I352-V393 HydrophobicContact CG2-CG2 3.63Å; L356-V393 HydrophobicContact CD1-CG1 4.44Å; L356-V393 HydrophobicContact CD1-CG2 4.31Å; L356-V393 HydrophobicContact CD2-CG1 4.26Å; L366-V393 HydrophobicContact CD2-CB 3.92Å; L366-V393 HydrophobicContact CD2-CG1 3.7Å; V369-V393 HydrophobicContact CB-CG2 4.33Å; V369-V393 HydrophobicContact CG1-CG2 3.58Å; I389-V393 HydrophobicContact CG2-CG2 4.42Å; I389-V393 VanDerWaalsContact O-CG2 3.23Å; I389-V393 WeakPolarHBondContact O-CG2 3.36Å; I389-V393 PolarHBondContact O-N 3.1Å; V393-F396 PolarHBondContact O-N 2.87Å; V393-L397 HydrophobicContact CG1-CD1 3.81Å; V393-L397 HydrophobicContact CG1-CG 4.33Å; V393-L397 WeakPolarHBondContact O-CB 3.43Å; V393-L397 WeakPolarHBondContact O-CG 3.35Å; V393-L397 PolarHBondContact O-N 3.18Å |
| 394 | K | 87 | Confident | 86.1 | Confident | 131 Ų | 131 | 73 Ų | 73 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 176.1 | -77.3 | -179.2 | -180 | -175.7 | 0 | 112.5 | L366 N390 S391 F396 L397 A398 | L366-K394 HydrophobicContact CD2-CG 4.35Å; N390-K394 WeakPolarHBondContact O-CB 3.39Å; N390-K394 WeakPolarHBondContact O-CG 3.46Å; N390-K394 PolarHBondContact O-N 3.15Å; S391-K394 PolarHBondContact O-N 3.44Å; K394-F396 VanDerWaalsContact C-N 3.33Å; K394-L397 PolarHBondContact O-N 3.01Å; K394-A398 VanDerWaalsContact O-CB 3.25Å; K394-A398 WeakPolarHBondContact O-CB 3.42Å; K394-A398 PolarHBondContact O-N 2.94Å |
| 395 | E | 89.1 | Confident | 86.3 | Confident | 102 Ų | 102 | 67.8 Ų | 67.8 | 48% | 0.477 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.7 | -171.4 | -180 | -179.9 | 0 | 0 | 110.8 | S391 T392 A398 H399 | S391-E395 WeakPolarHBondContact O-CB 3.46Å; S391-E395 PolarHBondContact O-N 3.12Å; T392-E395 PolarHBondContact O-N 3.18Å; E395-A398 PolarHBondContact O-N 2.87Å; E395-H399 PolarHBondContact O-CD2 2.92Å; E395-H399 PolarHBondContact O-N 3.32Å |
| 396 | F | 85.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 26% | 0.263 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 177.8 | -165.6 | -90.9 | 0 | 0 | 0 | 113 | I353 L356 T392 V393 K394 A398 H399 S400 | I353-F396 HydrophobicContact CG1-CD2 4.17Å; I353-F396 HydrophobicContact CG1-CE2 4.26Å; I353-F396 HydrophobicContact CG2-CE2 4.1Å; I353-F396 HydrophobicContact CG2-CZ 4.48Å; L356-F396 HydrophobicContact CB-CD1 4.15Å; L356-F396 HydrophobicContact CB-CE1 4.11Å; L356-F396 HydrophobicContact CD1-CB 3.84Å; L356-F396 HydrophobicContact CD1-CD1 3.55Å; L356-F396 HydrophobicContact CD1-CE1 4.33Å; L356-F396 HydrophobicContact CD1-CG 3.81Å; L356-F396 HydrophobicContact CG-CD1 4.46Å; T392-F396 WeakPolarHBondContact O-CB 3.4Å; T392-F396 PolarHBondContact O-N 3.49Å; V393-F396 PolarHBondContact O-N 2.87Å; K394-F396 VanDerWaalsContact C-N 3.33Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-H399 PolarHBondContact O-N 2.97Å; F396-S400 WeakPolarHBondContact CE1-OG 3.22Å; F396-S400 WeakPolarHBondContact O-CB 3.26Å; F396-S400 PolarHBondContact O-N 2.81Å; F396-S400 PolarHBondContact O-OG 2.99Å |
| 397 | L | 83.2 | Confident | 86.3 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.4 | -21.1 | 175.2 | -72 | 173.9 | 0 | 0 | 0 | 113.1 | V393 K394 | V393-L397 HydrophobicContact CG1-CD1 3.81Å; V393-L397 HydrophobicContact CG1-CG 4.33Å; V393-L397 WeakPolarHBondContact O-CB 3.43Å; V393-L397 WeakPolarHBondContact O-CG 3.35Å; V393-L397 PolarHBondContact O-N 3.18Å; K394-L397 PolarHBondContact O-N 3.01Å |
| 398 | A | 83.8 | Confident | 86 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 66% | 0.661 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -80.9 | -19.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K394 E395 F396 | K394-A398 VanDerWaalsContact O-CB 3.25Å; K394-A398 WeakPolarHBondContact O-CB 3.42Å; K394-A398 PolarHBondContact O-N 2.94Å; E395-A398 PolarHBondContact O-N 2.87Å; F396-A398 VanDerWaalsContact C-N 3.3Å |
| 399 | H | 79 | Confident | 85.6 | Confident | 154 Ų | 154 | 67.9 Ų | 67.9 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -103.3 | -10.2 | 177.7 | -70.6 | -48.3 | 0 | 0 | 0 | 114.1 | E395 F396 | E395-H399 PolarHBondContact O-CD2 2.92Å; E395-H399 PolarHBondContact O-N 3.32Å; F396-H399 PolarHBondContact O-N 2.97Å |
| 400 | S | 71.5 | Confident | 85.2 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | trans | -95.9 | 0 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | F396 | F396-S400 WeakPolarHBondContact CE1-OG 3.22Å; F396-S400 WeakPolarHBondContact O-CB 3.26Å; F396-S400 PolarHBondContact O-N 2.81Å; F396-S400 PolarHBondContact O-OG 2.99Å |
Retrieved 400 of 400 residues in 71.8 ms
(Link to these results)