| 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 | 34.8 | Very low | 41 | Very low | 240 Ų | 240 | 150.5 Ų | 150.5 | 100% | 1.182 | 82% | 0.824 | S | S | * | * | 0 | 100.9 | 0 | -64.5 | 172 | -178.5 | 0 | 0 | 104.4 | |||||
| 2 | A | 37.1 | Very low | 40.5 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | 92.3 | 126.1 | 72.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 3 | D | 41.6 | Very low | 40.1 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | cis | -145.3 | -170.1 | 2.2 | -88.1 | -36.8 | 0 | 0 | 0 | 112.4 | ||||
| 4 | Q | 45.4 | Very low | 40.1 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -99.5 | 177.4 | -173.3 | -54.4 | 175 | -60.3 | 0 | 0 | 113.5 | ||||
| 5 | C | 42.5 | Very low | 40.1 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | 68.6 | 161.6 | 153 | -65.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 6 | D | 43.8 | Very low | 40.4 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | cis | -164.2 | 155.4 | -28 | -104 | -24.7 | 0 | 0 | 0 | 107.9 | ||||
| 7 | T | 42.7 | Very low | 40.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -156.7 | 116.6 | 144 | -53 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | L | 38.8 | Very low | 40.2 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -108.2 | 152.5 | 157.6 | -72.5 | 170.4 | 0 | 0 | 0 | 108.4 | ||||
| 9 | Q | 42.5 | Very low | 39.9 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -117.8 | 121.5 | 163 | -79.9 | -166.3 | -20.1 | 0 | 0 | 109.9 | ||||
| 10 | P | 40.5 | Very low | 39.8 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -92.7 | 157.4 | 166.2 | 36.3 | -32.1 | 0 | 0 | 0 | 111.2 | ||||
| 11 | I | 41.3 | Very low | 39.8 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -131 | 133.3 | 158.5 | -61 | -178.9 | 0 | 0 | 0 | 107.1 | ||||
| 12 | T | 34.4 | Very low | 40 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 64% | 0.638 | 77% | 0.765 | S | S | * | * | trans | -136.4 | 128.9 | -168.9 | 48 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | N | 35.6 | Very low | 40.1 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 63.3 | -179.1 | 154.2 | -44.7 | 12.1 | 0 | 0 | 0 | 114.4 | ||||
| 14 | S | 40.4 | Very low | 39.9 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | cis | -158.6 | 163.9 | 5.2 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 15 | D | 40.4 | Very low | 39.5 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | cis | -174.4 | 157.3 | -30.2 | -84.8 | -38.2 | 0 | 0 | 0 | 107.9 | ||||
| 16 | E | 43.8 | Very low | 39 | Very low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | 64.6 | 174.6 | 161.4 | -65.4 | 178.1 | 175.6 | 0 | 0 | 118.8 | ||||
| 17 | T | 38.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -149 | 177.2 | 12.6 | -26.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 18 | E | 40.2 | Very low | 38.1 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -49.5 | 172 | 178.9 | -56.5 | 168.7 | 143.1 | 0 | 0 | 118.5 | ||||
| 19 | G | 33.4 | Very low | 38 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | 158.8 | 175 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 20 | S | 38.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | 72.4 | 159.3 | 171.7 | -128.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 21 | S | 39.7 | Very low | 38 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | cis | -158.7 | 160.7 | 9.9 | 72.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 22 | I | 37.9 | Very low | 37.7 | Very low | 160 Ų | 160 | 138 Ų | 138 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | 71.1 | 160.6 | 147.7 | -81.1 | 167.7 | 0 | 0 | 0 | 118.9 | ||||
| 23 | V | 40.9 | Very low | 37.9 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | -161.1 | 142.4 | -55.6 | 82.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 24 | H | 36.7 | Very low | 37.6 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | 146.4 | 169.8 | 107 | -132.2 | 19.4 | 0 | 0 | 0 | 108.8 | |||||
| 25 | S | 37.6 | Very low | 37.1 | Very low | 92 Ų | 92 | 145.2 Ų | 145.2 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | cis | -162 | 178.2 | -6.9 | -151.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 26 | G | 30.8 | Very low | 36.5 | Very low | 69 Ų | 69 | 145.3 Ų | 145.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 68.4 | 100 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 27 | D | 37.6 | Very low | 35.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | cis | 91 | 137.4 | 45.8 | -163.3 | 27.3 | 0 | 0 | 0 | 114.6 | ||||
| 28 | G | 30.7 | Very low | 35.4 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 164.1 | 60.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 29 | R | 36.4 | Very low | 34.9 | Very low | 226 Ų | 226 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -61.5 | 146.6 | 178.6 | -65.7 | 175.4 | 170.9 | -175 | -0.8 | 113.9 | ||||
| 30 | I | 38 | Very low | 34.8 | Very low | 164 Ų | 164 | 144 Ų | 144 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -153.8 | 141.2 | 130.7 | -100.7 | 147 | 0 | 0 | 0 | 109.8 | ||||
| 31 | K | 44.8 | Very low | 34.4 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | -110.4 | 136.7 | 171.4 | -67 | 178.3 | 177.8 | 179.1 | 0 | 109.8 | ||||
| 32 | R | 34.2 | Very low | 33.9 | Very low | 245 Ų | 245 | 144 Ų | 144 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -143.2 | 119.1 | 148.2 | -71.4 | -165.2 | 176.4 | 141 | 3.8 | 111.5 | ||||
| 33 | R | 39.1 | Very low | 33.5 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -77.9 | 156.7 | 149.9 | -83 | 179.4 | 165.7 | -178.9 | -5.4 | 107.9 | ||||
| 34 | L | 29.8 | Very low | 33 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | -164 | 175.7 | 122.5 | -105.4 | 169.4 | 0 | 0 | 0 | 110.1 | |||||
| 35 | S | 30.8 | Very low | 32.8 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | -143.3 | 173.6 | -161.6 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 36 | C | 26.7 | Very low | 32.6 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 82.9 | 100.2 | 153 | -58.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 37 | S | 27.7 | Very low | 32.9 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 57.9 | 129.7 | 113.3 | 69.2 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 38 | S | 30.9 | Very low | 32.9 | Very low | 94 Ų | 94 | 151.1 Ų | 151.1 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | 103 | 127.1 | 129.7 | -128.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 39 | E | 29.8 | Very low | 32.8 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | trans | 71.1 | 122.5 | 139.1 | -81.6 | 166.2 | 114 | 0 | 0 | 125.2 | ||||
| 40 | R | 32.7 | Very low | 32.6 | Very low | 194 Ų | 194 | 150 Ų | 150 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | 63.2 | 143.8 | 143.4 | -62.1 | -168.5 | -172.5 | 99.6 | 15.9 | 117.8 | ||||
| 41 | N | 30.1 | Very low | 32.1 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | cis | -166.3 | 168.7 | 1.7 | -110.9 | 7.5 | 0 | 0 | 0 | 107.4 | ||||
| 42 | S | 28.6 | Very low | 31.2 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | cis | -179.7 | 168.8 | -13 | 51.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 43 | K | 30.5 | Very low | 30.9 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | 79 | 146 | 174.4 | -49.3 | 176.2 | -179.5 | -179.2 | 0 | 114.2 | ||||
| 44 | T | 30.4 | Very low | 30.4 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | cis | -153.6 | 171.3 | 5.3 | -11.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 45 | A | 32 | Very low | 30.4 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | 67.5 | 99.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 46 | E | 33.3 | Very low | 30.3 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | 89.2 | 111.3 | 58.8 | -72.2 | -173.8 | 158.6 | 0 | 0 | 113.8 | |||||
| 47 | E | 37.2 | Very low | 30.6 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -87.5 | 160.8 | 169.1 | -54.6 | 178.1 | 128.5 | 0 | 0 | 111.1 | ||||
| 48 | P | 37 | Very low | 30.7 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -106.3 | 97.7 | 149.5 | 34 | -24.2 | 0 | 0 | 0 | 110.5 | ||||
| 49 | S | 29.6 | Very low | 30.8 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -84.5 | 126.2 | 157.8 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 50 | M | 31.4 | Very low | 30.7 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 107.3 | 162.3 | -80.8 | -149.5 | 170.5 | 0 | 0 | 112.8 | ||||
| 51 | T | 28.1 | Very low | 30.7 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 23.8 | 118 | 131.2 | 48.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 52 | C | 26.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 138 Ų | 138 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -65.2 | 130.1 | 162 | -170.2 | 0 | 0 | 0 | 0 | 111 | L54 | C52-L54 PolarHBondContact O-N 2.9Š| ||
| 53 | T | 27.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -78.3 | 101 | -172 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | L55 | T53-L55 PolarHBondContact O-N 3.06Š| ||
| 54 | L | 28.2 | Very low | 31.4 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -79.8 | 107.5 | 174.5 | -143.7 | 177.4 | 0 | 0 | 0 | 109.8 | C52 S56 | C52-L54 PolarHBondContact O-N 2.9Å; L54-S56 PolarHBondContact O-N 2.92Å | ||
| 55 | L | 28.6 | Very low | 31.5 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -76.1 | 71.6 | 177.6 | -75.1 | 175.7 | 0 | 0 | 0 | 112.2 | T53 L57 | T53-L55 PolarHBondContact O-N 3.06Å; L55-L57 PolarHBondContact O-N 2.97Å | ||
| 56 | S | 29.3 | Very low | 31.6 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | trans | -70.5 | 107.3 | 165.4 | -70.5 | 0 | 0 | 0 | 0 | 110.3 | L54 Q58 | L54-S56 PolarHBondContact O-N 2.92Å; S56-Q58 PolarHBondContact O-N 3.01Å | ||
| 57 | L | 33.3 | Very low | 31.5 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | trans | -67.4 | 98 | 166.1 | -74.5 | 172.6 | 0 | 0 | 0 | 109.4 | L55 | L55-L57 PolarHBondContact O-N 2.97Š| ||
| 58 | Q | 29.9 | Very low | 31.4 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -107.4 | 112.2 | 175.8 | -145.8 | 166 | 9.1 | 0 | 0 | 109.8 | S56 V60 | S56-Q58 PolarHBondContact O-N 3.01Å; Q58-V60 PolarHBondContact O-N 3.43Å | ||
| 59 | S | 32.2 | Very low | 31.1 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 127 | 175.8 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 60 | V | 28.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -117.2 | 114.1 | 166.4 | -172.5 | 0 | 0 | 0 | 0 | 107.6 | Q58 | Q58-V60 PolarHBondContact O-N 3.43Š| ||
| 61 | S | 33.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -93.3 | 144 | 162 | -56.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 62 | D | 30.7 | Very low | 31.4 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -166.6 | 148.7 | 135 | -99 | -24.8 | 0 | 0 | 0 | 110.2 | ||||
| 63 | D | 30.8 | Very low | 31.6 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -83.3 | 150.4 | -177.5 | -71.2 | -61.2 | 0 | 0 | 0 | 112.9 | ||||
| 64 | S | 41.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -163.3 | 132.6 | 145.3 | -83.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 65 | N | 32.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -90.6 | 146.5 | 178.1 | -67.9 | -54.1 | 0 | 0 | 0 | 112.2 | ||||
| 66 | S | 34 | Very low | 32.1 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -156.3 | 157.8 | 144.1 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 67 | E | 31 | Very low | 32.1 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -105.7 | 160.8 | -157.9 | -53.5 | 166 | 114.5 | 0 | 0 | 113.6 | ||||
| 68 | I | 34.9 | Very low | 31.9 | Very low | 147 Ų | 147 | 153 Ų | 153 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | 66.9 | 133.8 | 141.8 | -72.6 | 163.1 | 0 | 0 | 0 | 117.3 | ||||
| 69 | D | 30.8 | Very low | 32 | Very low | 142 Ų | 142 | 151.8 Ų | 151.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | cis | -159 | -176.8 | 2.7 | -140.2 | -31.3 | 0 | 0 | 0 | 113 | ||||
| 70 | E | 31.6 | Very low | 31.7 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | 84.2 | 145.7 | 147.2 | -86.4 | -87.3 | 73.3 | 0 | 0 | 124 | ||||
| 71 | E | 32.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 152.8 Ų | 152.8 | 55% | 0.547 | 80% | 0.798 | S | S | . | * | trans | 64.2 | 90.7 | 157 | -69.9 | -103.5 | 88.1 | 0 | 0 | 122.8 | ||||
| 72 | R | 30.6 | Very low | 31.5 | Very low | 214 Ų | 214 | 156.2 Ų | 156.2 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | 44.8 | 115.6 | 121.6 | -60 | -173.5 | -177.1 | 129.5 | -5.2 | 120.3 | |||||
| 73 | R | 32.4 | Very low | 31.6 | Very low | 251 Ų | 251 | 153.7 Ų | 153.7 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | -157.3 | 154.2 | 106.3 | -113.3 | 170.9 | -175.5 | 135.4 | 3.4 | 112.9 | |||||
| 74 | T | 30.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 153.3 Ų | 153.3 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -82.3 | 154.5 | 172.8 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 75 | D | 30.8 | Very low | 31.2 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | -167.9 | 156.7 | 102.7 | -89.6 | -5.1 | 0 | 0 | 0 | 111.9 | |||||
| 76 | S | 31.5 | Very low | 30.9 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -124.3 | 116.1 | -160.7 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 77 | I | 31.1 | Very low | 30.8 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -133.4 | 116.9 | 159.4 | -57.8 | -178 | 0 | 0 | 0 | 108.7 | ||||
| 78 | K | 27.6 | Very low | 30.7 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -133.1 | 113.1 | 170.1 | -166.2 | 176.6 | -174.9 | 179.6 | 0 | 109.7 | ||||
| 79 | I | 32.1 | Very low | 30.6 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | 6.9 | 127.2 | 152.2 | -40.1 | 171.1 | 0 | 0 | 0 | 115.7 | ||||
| 80 | N | 25.4 | Very low | 30.6 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -140.6 | 152.1 | 132.4 | -153.9 | 10.9 | 0 | 0 | 0 | 111.6 | ||||
| 81 | V | 30.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 147.1 Ų | 147.1 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -110.4 | 127.7 | 172.9 | 172.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 82 | E | 29.1 | Very low | 30.4 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 139.1 | -177.3 | -154 | 164.9 | -140.1 | 0 | 0 | 110.9 | ||||
| 83 | S | 32 | Very low | 31 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -137.5 | 133.3 | 176.6 | 57 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 84 | N | 33.6 | Very low | 30.8 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -127.8 | 139.6 | -177.3 | -93.6 | -42.6 | 0 | 0 | 0 | 110.1 | ||||
| 85 | N | 29.6 | Very low | 30.9 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -157 | 139.9 | -173.8 | -146.9 | 4.3 | 0 | 0 | 0 | 110.5 | ||||
| 86 | G | 28.2 | Very low | 31 | Very low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | 90.3 | 159.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 87 | T | 30.3 | Very low | 31 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | cis | -159.4 | 146.7 | -4.5 | -28.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 88 | D | 29.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | 47 | 141.6 | 150.5 | -97.5 | -56 | 0 | 0 | 0 | 124 | ||||
| 89 | V | 33.3 | Very low | 31.1 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | 179.1 | 104.5 | 98.9 | 162.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 90 | K | 31.5 | Very low | 30.9 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | 44.1 | 123 | 129 | -155.3 | 176.7 | -171 | 174.7 | 0 | 122.5 | |||||
| 91 | G | 24.7 | Very low | 31 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -180 | 115 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 92 | V | 33.2 | Very low | 30.9 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -155.7 | 138.9 | -178.4 | -179.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 93 | P | 43.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -150.9 | 169.3 | 55.6 | 43.3 | -22.6 | 0 | 0 | 0 | 120.6 | |||||
| 94 | N | 30 | Very low | 31.5 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 14.7 | 137.8 | 145.6 | -48.7 | 8.2 | 0 | 0 | 0 | 122.4 | ||||
| 95 | T | 31.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 136 Ų | 136 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -145 | 151.8 | 130.6 | -41.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 96 | E | 34.4 | Very low | 31.3 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | -103.1 | -165.4 | 175.7 | -60.8 | -179.5 | 126.4 | 0 | 0 | 111.6 | ||||
| 97 | E | 31 | Very low | 31.6 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | 89.1 | 151.6 | 173.6 | -60.9 | -171 | -172.3 | 0 | 0 | 119 | ||||
| 98 | K | 33.2 | Very low | 31.8 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | -169.2 | 139.8 | -35.2 | -161.6 | 179.2 | 154.5 | -176.4 | 0 | 111.1 | ||||
| 99 | E | 27.4 | Very low | 32 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | 57.8 | 135.3 | 153.6 | -87.7 | 171.8 | -154.3 | 0 | 0 | 124.7 | ||||
| 100 | N | 28.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 83.4 | 112.2 | 132.7 | -67.7 | -19.1 | 0 | 0 | 0 | 124.6 | ||||
| 101 | S | 27.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | 70 | 115.8 | 116.7 | -164 | 0 | 0 | 0 | 0 | 122 | |||||
| 102 | S | 27.6 | Very low | 32.1 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | -173 | 130.7 | 123.8 | 24.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 103 | E | 32.8 | Very low | 32 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -94.9 | 174.6 | 150.5 | -55.1 | -174.9 | 140.9 | 0 | 0 | 108.4 | ||||
| 104 | P | 40.9 | Very low | 31.5 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | -155.6 | 172.8 | 83.4 | 42.5 | -23.6 | 0 | 0 | 0 | 117.9 | |||||
| 105 | S | 30.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 85.5 | 96.7 | 148.1 | -54.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 106 | D | 27.7 | Very low | 31.6 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | 34 | 120.8 | 118.9 | -51.7 | -28.2 | 0 | 0 | 0 | 122 | |||||
| 107 | I | 34.3 | Very low | 31.4 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | -138.1 | 138.8 | 123.5 | -66.6 | -168.5 | 0 | 0 | 0 | 108.8 | |||||
| 108 | I | 34.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -93.5 | 135.2 | -178.2 | -61.7 | 162.1 | 0 | 0 | 0 | 111.2 | ||||
| 109 | Q | 34 | Very low | 32 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -150 | 146.3 | 140 | -142.3 | 165.3 | 8.7 | 0 | 0 | 111.9 | ||||
| 110 | D | 28.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -123.7 | 136.5 | -163.4 | 172.6 | 24.8 | 0 | 0 | 0 | 111.2 | ||||
| 111 | Q | 33.4 | Very low | 33.8 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -172.2 | 102.5 | 154.7 | -109.4 | 145.3 | 108.2 | 0 | 0 | 113 | ||||
| 112 | T | 30.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 38.8 | 111.5 | 135.5 | 55.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 113 | E | 31.1 | Very low | 36 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | 45.2 | 111 | 123.4 | -61.9 | 177.2 | -179.3 | 0 | 0 | 120.4 | |||||
| 114 | T | 31.3 | Very low | 36.7 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | -155.9 | 137.8 | 118.5 | 10.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 115 | E | 34.8 | Very low | 37.4 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -86.1 | 121.5 | 177.7 | -62.1 | 178.1 | 116.5 | 0 | 0 | 110.8 | ||||
| 116 | E | 29.8 | Very low | 38.8 | Very low | 193 Ų | 193 | 140 Ų | 140 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | trans | -127.7 | 85.1 | 153 | -76.4 | -155.1 | 165.5 | 0 | 0 | 109.7 | S118 | E116-S118 PolarHBondContact O-N 3.11Š| ||
| 117 | T | 30.3 | Very low | 41 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | trans | -69 | 99.5 | 173.3 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | G119 | T117-G119 PolarHBondContact O-N 3.17Š| ||
| 118 | S | 40.5 | Very low | 43.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -68.4 | 89.7 | 178.6 | 61 | 0 | 0 | 0 | 0 | 111.6 | E116 | E116-S118 PolarHBondContact O-N 3.11Š| ||
| 119 | G | 35.7 | Very low | 45.6 | Very low | 57 Ų | 57 | 132.1 Ų | 132.1 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | trans | -68.6 | 166.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T117 | T117-G119 PolarHBondContact O-N 3.17Š| ||
| 120 | P | 46.4 | Very low | 48.1 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | trans | -73.5 | 174 | -177.5 | 31.7 | -36.2 | 0 | 0 | 0 | 114.3 | D122 | P120-D122 VanDerWaalsContact C-N 3.31Å; P120-D122 PolarHBondContact O-N 3.43Å | ||
| 121 | D | 47.4 | Very low | 50.9 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -79.7 | 56.5 | -167.6 | -172.4 | 21.3 | 0 | 0 | 0 | 114.5 | R123 K124 | D121-R123 PolarHBondContact O-N 3.25Å; D121-K124 IonicContact OD1-NZ 2.89Å; D121-K124 PolarHBondContact OD1-NZ 3.27Å; D121-K124 IonicContact OD2-NZ 3.5Å; D121-K124 PolarHBondContact OD2-NZ 3.04Å | ||
| 122 | D | 48.7 | Very low | 53.7 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -4.1 | -179.8 | -84.9 | -21 | 0 | 0 | 0 | 114.9 | P120 | P120-D122 VanDerWaalsContact C-N 3.31Å; P120-D122 PolarHBondContact O-N 3.43Å |
| 123 | R | 51.8 | Low | 56.5 | Low | 214 Ų | 214 | 120.9 Ų | 120.9 | 81% | 0.808 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -4.5 | -170.4 | -68.6 | -172.4 | 178.5 | -178.4 | 1.7 | 115.2 | D121 N127 | D121-R123 PolarHBondContact O-N 3.25Å; R123-N127 PolarHBondContact O-ND2 2.92Å |
| 124 | K | 48.9 | Very low | 59.3 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 54% | 0.539 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -35.7 | 178.8 | -68.5 | -165.4 | 178.5 | 76.2 | 0 | 113.9 | D121 T128 | D121-K124 IonicContact OD1-NZ 2.89Å; D121-K124 PolarHBondContact OD1-NZ 3.27Å; D121-K124 IonicContact OD2-NZ 3.5Å; D121-K124 PolarHBondContact OD2-NZ 3.04Å; K124-T128 PolarHBondContact O-N 3.33Å; K124-T128 PolarHBondContact O-OG1 3.49Å |
| 125 | D | 54.2 | Low | 62.2 | Low | 108 Ų | 108 | 110.2 Ų | 110.2 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.3 | -39.6 | -167.8 | -64.8 | -15.4 | 0 | 0 | 0 | 111.6 | N127 T128 E129 | D125-N127 VanDerWaalsContact C-N 3.32Å; D125-N127 PolarHBondContact O-N 3.41Å; D125-T128 WeakPolarHBondContact O-CA 3.34Å; D125-T128 WeakPolarHBondContact O-CB 3.45Å; D125-T128 PolarHBondContact O-N 3.01Å; D125-E129 PolarHBondContact O-N 2.89Å |
| 126 | T | 61.2 | Low | 64.9 | Low | 73 Ų | 73 | 103.7 Ų | 103.7 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.8 | -42.5 | 176.4 | 62.8 | 0 | 0 | 0 | 0 | 113 | T128 E129 E130 | T126-T128 PolarHBondContact O-N 3.31Å; T126-E129 PolarHBondContact O-N 3.29Å; T126-E130 WeakPolarHBondContact O-CG 3.23Å; T126-E130 PolarHBondContact O-N 3.32Å |
| 127 | N | 72.3 | Confident | 67.8 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -27.4 | 177.5 | -71.1 | -74.8 | 0 | 0 | 0 | 112.3 | R123 D125 Q131 | R123-N127 PolarHBondContact O-ND2 2.92Å; D125-N127 VanDerWaalsContact C-N 3.32Å; D125-N127 PolarHBondContact O-N 3.41Å; N127-Q131 WeakPolarHBondContact O-CB 3.19Å; N127-Q131 PolarHBondContact O-N 3.05Å |
| 128 | T | 81.8 | Confident | 70.7 | Confident | 59 Ų | 59 | 96.3 Ų | 96.3 | 36% | 0.362 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -80.7 | -42.4 | 179 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | K124 D125 T126 Q131 D132 | K124-T128 PolarHBondContact O-N 3.33Å; K124-T128 PolarHBondContact O-OG1 3.49Å; D125-T128 WeakPolarHBondContact O-CA 3.34Å; D125-T128 WeakPolarHBondContact O-CB 3.45Å; D125-T128 PolarHBondContact O-N 3.01Å; T126-T128 PolarHBondContact O-N 3.31Å; T128-Q131 PolarHBondContact O-N 3.37Å; T128-D132 WeakPolarHBondContact O-CB 3.48Å; T128-D132 PolarHBondContact O-N 3.49Å |
| 129 | E | 84.3 | Confident | 73.1 | Confident | 146 Ų | 146 | 91 Ų | 91 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 176 | -66.4 | -169.9 | 152.3 | 0 | 0 | 112.1 | D125 T126 A133 | D125-E129 PolarHBondContact O-N 2.89Å; T126-E129 PolarHBondContact O-N 3.29Å; E129-A133 VanDerWaalsContact O-CB 3.23Å; E129-A133 WeakPolarHBondContact O-CB 3.37Å; E129-A133 PolarHBondContact O-N 2.95Å |
| 130 | E | 87.6 | Confident | 75.7 | Confident | 139 Ų | 139 | 94.3 Ų | 94.3 | 65% | 0.65 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 174.8 | -73.1 | -179.3 | -171.1 | 0 | 0 | 112.2 | T126 A133 E134 | T126-E130 WeakPolarHBondContact O-CG 3.23Å; T126-E130 PolarHBondContact O-N 3.32Å; E130-A133 PolarHBondContact O-N 3.36Å; E130-E134 WeakPolarHBondContact O-CB 3.5Å; E130-E134 PolarHBondContact O-N 2.97Å |
| 131 | Q | 87.1 | Confident | 77.7 | Confident | 125 Ų | 125 | 95 Ų | 95 | 58% | 0.584 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.3 | -45.1 | 178.4 | -175.3 | 173.6 | 33.4 | 0 | 0 | 112.4 | N127 T128 A133 E134 V135 | N127-Q131 WeakPolarHBondContact O-CB 3.19Å; N127-Q131 PolarHBondContact O-N 3.05Å; T128-Q131 PolarHBondContact O-N 3.37Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.4Å; Q131-E134 PolarHBondContact O-N 3.46Å; Q131-V135 WeakPolarHBondContact O-CG2 3.35Å; Q131-V135 PolarHBondContact O-N 3.5Å |
| 132 | D | 91.5 | Very high | 79.7 | Confident | 41 Ų | 41 | 96.1 Ų | 96.1 | 22% | 0.219 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 178.1 | -81.1 | -6.2 | 0 | 0 | 0 | 110.6 | T128 V135 V136 R283 V287 | T128-D132 WeakPolarHBondContact O-CB 3.48Å; T128-D132 PolarHBondContact O-N 3.49Å; D132-V135 PolarHBondContact O-N 3.42Å; D132-V136 WeakPolarHBondContact O-CG2 3.21Å; D132-V136 PolarHBondContact O-N 3.01Å; D132-R283 IonicContact OD1-NH2 3.39Å; D132-R283 PolarHBondContact OD1-NH2 3.25Å; D132-R283 VanDerWaalsContact OD1-NH2 3.15Å; D132-R283 IonicContact OD2-NH2 2.67Å; D132-V287 HydrophobicContact CB-CG1 3.62Å |
| 133 | A | 90 | Very high | 81.7 | Confident | 58 Ų | 58 | 90.2 Ų | 90.2 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E129 E130 Q131 V136 R137 | E129-A133 VanDerWaalsContact O-CB 3.23Å; E129-A133 WeakPolarHBondContact O-CB 3.37Å; E129-A133 PolarHBondContact O-N 2.95Å; E130-A133 PolarHBondContact O-N 3.36Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.4Å; A133-V136 PolarHBondContact O-N 3.45Å; A133-R137 PolarHBondContact O-N 3.08Å |
| 134 | E | 90.3 | Very high | 83.8 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 172.4 | 178 | 62 | -139.5 | 0 | 0 | 111.2 | E130 Q131 V136 R137 K138 | E130-E134 WeakPolarHBondContact O-CB 3.5Å; E130-E134 PolarHBondContact O-N 2.97Å; Q131-E134 PolarHBondContact O-N 3.46Å; E134-V136 PolarHBondContact O-N 3.19Å; E134-R137 PolarHBondContact O-N 3.15Å; E134-R137 IonicContact OE1-CZ 2.72Å; E134-R137 IonicContact OE1-NH1 3.37Å; E134-R137 IonicContact OE1-NH2 2.54Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-CZ 3.53Å; E134-R137 IonicContact OE2-NH1 3.5Å; E134-R137 PolarHBondContact OE2-NH1 2.98Å; E134-R137 IonicContact OE2-NH2 3.77Å; E134-R137 PolarHBondContact OE2-NH2 3.46Å; E134-K138 WeakPolarHBondContact O-CB 3.37Å; E134-K138 PolarHBondContact O-N 2.73Å |
| 135 | V | 91.4 | Very high | 86 | Confident | 25 Ų | 25 | 74.8 Ų | 74.8 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 174.6 | 165.4 | 0 | 0 | 0 | 0 | 111.7 | Q131 D132 A139 T284 V287 A288 | Q131-V135 WeakPolarHBondContact O-CG2 3.35Å; Q131-V135 PolarHBondContact O-N 3.5Å; D132-V135 PolarHBondContact O-N 3.42Å; V135-A139 WeakPolarHBondContact O-CB 3.46Å; V135-A139 PolarHBondContact O-N 3.02Å; V135-A139 VanDerWaalsContact O-N 3.09Å; V135-T284 HydrophobicContact CG1-CG2 3.75Å; V135-T284 HydrophobicContact CG2-CG2 4.16Å; V135-V287 HydrophobicContact CB-CG1 4.5Å; V135-V287 HydrophobicContact CG1-CG1 4.13Å; V135-A288 HydrophobicContact CG1-CB 3.75Å |
| 136 | V | 91.6 | Very high | 88 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | D132 A133 E134 K138 A139 Q140 V287 | D132-V136 WeakPolarHBondContact O-CG2 3.21Å; D132-V136 PolarHBondContact O-N 3.01Å; A133-V136 PolarHBondContact O-N 3.45Å; E134-V136 PolarHBondContact O-N 3.19Å; V136-K138 PolarHBondContact O-N 2.95Å; V136-A139 PolarHBondContact O-N 3.48Å; V136-Q140 WeakPolarHBondContact O-CG 3.42Å; V136-Q140 PolarHBondContact O-N 3.01Å; V136-Q140 VanDerWaalsContact O-N 3.08Å; V136-V287 HydrophobicContact CG2-CG1 4.16Å; V136-V287 WeakPolarHBondContact CG2-O 3.48Å |
| 137 | R | 91.8 | Very high | 89.7 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.3 | -50.3 | -179.5 | -169.9 | -177.6 | 79 | -120.9 | -7 | 110.8 | A133 E134 A139 Q140 E141 | A133-R137 PolarHBondContact O-N 3.08Å; E134-R137 PolarHBondContact O-N 3.15Å; E134-R137 IonicContact OE1-CZ 2.72Å; E134-R137 IonicContact OE1-NH1 3.37Å; E134-R137 IonicContact OE1-NH2 2.54Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-CZ 3.53Å; E134-R137 IonicContact OE2-NH1 3.5Å; E134-R137 PolarHBondContact OE2-NH1 2.98Å; E134-R137 IonicContact OE2-NH2 3.77Å; E134-R137 PolarHBondContact OE2-NH2 3.46Å; R137-A139 PolarHBondContact O-N 3.2Å; R137-Q140 PolarHBondContact O-N 3.37Å; R137-E141 HydrophobicContact CG-CG 4.17Å; R137-E141 WeakPolarHBondContact CG-OE1 3.46Å; R137-E141 WeakPolarHBondContact CG-OE2 3.39Å; R137-E141 IonicContact NE-OE2 3.58Å; R137-E141 WeakPolarHBondContact O-CB 3.49Å; R137-E141 WeakPolarHBondContact O-CG 3.31Å; R137-E141 PolarHBondContact O-N 3.19Å |
| 138 | K | 90.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 67.7 Ų | 67.7 | 22% | 0.222 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | -177.2 | -160.4 | 175.6 | -169.4 | -179.5 | 0 | 112.7 | E134 V136 Q140 E142 G143 C144 D146 | E134-K138 WeakPolarHBondContact O-CB 3.37Å; E134-K138 PolarHBondContact O-N 2.73Å; V136-K138 PolarHBondContact O-N 2.95Å; K138-Q140 PolarHBondContact O-N 2.84Å; K138-E142 WeakPolarHBondContact CE-OE2 3.37Å; K138-E142 HydrophobicContact CG-CB 4.29Å; K138-E142 HydrophobicContact CG-CG 4.3Å; K138-E142 WeakPolarHBondContact O-CB 3.15Å; K138-E142 PolarHBondContact O-N 2.54Å; K138-G143 PolarHBondContact O-N 2.96Å; K138-C144 CarbonylContact C-O 3.03Å; K138-C144 WeakPolarHBondContact CE-SG 3.45Å; K138-D146 IonicContact NZ-OD2 2.78Å; K138-D146 PolarHBondContact NZ-OD2 3.3Å |
| 139 | A | 90.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | V135 V136 R137 G143 C144 V145 A288 L290 | V135-A139 WeakPolarHBondContact O-CB 3.46Å; V135-A139 PolarHBondContact O-N 3.02Å; V135-A139 VanDerWaalsContact O-N 3.09Å; V136-A139 PolarHBondContact O-N 3.48Å; R137-A139 PolarHBondContact O-N 3.2Å; A139-G143 VanDerWaalsContact O-CA 3.27Å; A139-G143 WeakPolarHBondContact O-CA 3.16Å; A139-G143 PolarHBondContact O-N 2.56Å; A139-C144 WeakPolarHBondContact CA-O 3.15Å; A139-C144 PolarHBondContact N-O 2.98Å; A139-V145 HydrophobicContact CB-CG2 3.84Å; A139-A288 HydrophobicContact CB-CB 3.67Å; A139-A288 VanDerWaalsContact CB-O 3.3Å; A139-A288 WeakPolarHBondContact CB-O 3.42Å; A139-L290 HydrophobicContact CB-CB 4.48Å; A139-L290 HydrophobicContact CB-CD1 4.1Å |
| 140 | Q | 88.6 | Confident | 92.1 | Very high | 128 Ų | 128 | 62.2 Ų | 62.2 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -76.5 | -50.6 | 178.2 | -69 | -179.8 | 10.7 | 0 | 0 | 112.1 | V136 R137 K138 K330 | V136-Q140 WeakPolarHBondContact O-CG 3.42Å; V136-Q140 PolarHBondContact O-N 3.01Å; V136-Q140 VanDerWaalsContact O-N 3.08Å; R137-Q140 PolarHBondContact O-N 3.37Å; K138-Q140 PolarHBondContact O-N 2.84Å; Q140-K330 PolarHBondContact O-NZ 2.92Å |
| 141 | E | 88.8 | Confident | 92.3 | Very high | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -73.4 | -70 | -175.5 | -66.3 | 177.9 | 177.6 | 0 | 0 | 111.2 | R137 K330 | R137-E141 HydrophobicContact CG-CG 4.17Å; R137-E141 WeakPolarHBondContact CG-OE1 3.46Å; R137-E141 WeakPolarHBondContact CG-OE2 3.39Å; R137-E141 IonicContact NE-OE2 3.58Å; R137-E141 WeakPolarHBondContact O-CB 3.49Å; R137-E141 WeakPolarHBondContact O-CG 3.31Å; R137-E141 PolarHBondContact O-N 3.19Å; E141-K330 PolarHBondContact O-NZ 2.72Å |
| 142 | E | 89.5 | Confident | 92.6 | Very high | 124 Ų | 124 | 51.6 Ų | 51.6 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -32 | -176.5 | -62.1 | -178.3 | -155.7 | 0 | 0 | 112.4 | K138 C144 | K138-E142 WeakPolarHBondContact CE-OE2 3.37Å; K138-E142 HydrophobicContact CG-CB 4.29Å; K138-E142 HydrophobicContact CG-CG 4.3Å; K138-E142 WeakPolarHBondContact O-CB 3.15Å; K138-E142 PolarHBondContact O-N 2.54Å; E142-C144 VanDerWaalsContact CB-SG 3.51Å; E142-C144 PolarHBondContact OE2-SG 3.44Å |
| 143 | G | 91.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 85.4 | 24.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K138 A139 K332 I333 | K138-G143 PolarHBondContact O-N 2.96Å; A139-G143 VanDerWaalsContact O-CA 3.27Å; A139-G143 WeakPolarHBondContact O-CA 3.16Å; A139-G143 PolarHBondContact O-N 2.56Å; G143-K332 CarbonylContact O-C 3.4Å; G143-K332 VanDerWaalsContact O-CA 3.27Å; G143-K332 WeakPolarHBondContact O-CA 3.49Å; G143-I333 PolarHBondContact O-N 3.37Å |
| 144 | C | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.081 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155.6 | -177.7 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | K138 A139 E142 I333 | K138-C144 CarbonylContact C-O 3.03Å; K138-C144 WeakPolarHBondContact CE-SG 3.45Å; A139-C144 WeakPolarHBondContact CA-O 3.15Å; A139-C144 PolarHBondContact N-O 2.98Å; E142-C144 VanDerWaalsContact CB-SG 3.51Å; E142-C144 PolarHBondContact OE2-SG 3.44Å; C144-I333 CarbonylContact C-O 3.6Å; C144-I333 VanDerWaalsContact CA-O 3.22Å; C144-I333 WeakPolarHBondContact CA-O 3.44Å; C144-I333 HydrophobicContact CB-CB 3.79Å |
| 145 | V | 96.6 | Very high | 93 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 128.3 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 108.5 | A139 V147 T284 L285 A288 L290 I333 I334 T335 | A139-V145 HydrophobicContact CB-CG2 3.84Å; V145-V147 HydrophobicContact CG1-CG2 4.31Å; V145-T284 HydrophobicContact CG1-CG2 3.47Å; V145-T284 VanDerWaalsContact CG1-CG2 3.47Å; V145-L285 HydrophobicContact CB-CD2 4.4Å; V145-L285 HydrophobicContact CG1-CD2 4.32Å; V145-A288 HydrophobicContact CG2-CB 3.35Å; V145-L290 HydrophobicContact CB-CD2 4.17Å; V145-L290 HydrophobicContact CG2-CB 4.02Å; V145-L290 HydrophobicContact CG2-CD1 4.32Å; V145-L290 HydrophobicContact CG2-CD2 3.79Å; V145-L290 HydrophobicContact CG2-CG 4.24Å; V145-I333 PolarHBondContact N-O 3.37Å; V145-I334 WeakPolarHBondContact O-CA 3.27Å; V145-T335 PolarHBondContact O-N 3.43Å |
| 146 | D | 96.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.1 | 175.8 | -55.5 | -45.9 | 0 | 0 | 0 | 110.4 | K138 T335 | K138-D146 IonicContact NZ-OD2 2.78Å; K138-D146 PolarHBondContact NZ-OD2 3.3Å; D146-T335 CarbonylContact C-O 3.48Å; D146-T335 WeakPolarHBondContact OD1-CB 3.46Å; D146-T335 PolarHBondContact OD1-OG1 2.85Å |
| 147 | V | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 106.6 | 177.2 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | V145 F149 Q280 I281 T284 T335 L336 S337 | V145-V147 HydrophobicContact CG1-CG2 4.31Å; V147-F149 HydrophobicContact CG1-CD1 4.3Å; V147-F149 HydrophobicContact CG1-CE1 3.68Å; V147-F149 HydrophobicContact CG1-CZ 4.06Å; V147-Q280 HydrophobicContact CG1-CG 4.02Å; V147-I281 HydrophobicContact CG1-CG1 4.16Å; V147-T284 HydrophobicContact CG2-CG2 4.41Å; V147-T335 PolarHBondContact N-O 2.92Å; V147-L336 HydrophobicContact CB-CD2 3.81Å; V147-L336 HydrophobicContact CG2-CD2 4.01Å; V147-S337 PolarHBondContact O-N 2.91Å; V147-S337 PolarHBondContact O-OG 3.19Å |
| 148 | V | 96.4 | Very high | 93.5 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 44% | 0.436 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.4 | 179.6 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | Q280 E339 | V148-Q280 PolarHBondContact O-NE2 2.97Å; V148-E339 HydrophobicContact CG1-CB 3.89Å |
| 149 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 138.7 | 174.6 | -59.8 | -50.4 | 0 | 0 | 0 | 111.4 | V147 G151 V153 F161 L263 L272 C277 Q280 I281 L336 S337 T338 E339 | V147-F149 HydrophobicContact CG1-CD1 4.3Å; V147-F149 HydrophobicContact CG1-CE1 3.68Å; V147-F149 HydrophobicContact CG1-CZ 4.06Å; F149-G151 PolarHBondContact O-N 3.4Å; F149-V153 HydrophobicContact CD2-CG1 3.85Å; F149-V153 HydrophobicContact CE2-CG1 4.25Å; F149-V153 HydrophobicContact CG-CG1 4.43Å; F149-F161 AromaticContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CZ 4.47Å; F149-F161 HydrophobicContact CZ-CE2 4.31Å; F149-L263 HydrophobicContact CD2-CD2 3.58Å; F149-L263 HydrophobicContact CE2-CD2 3.77Å; F149-L272 HydrophobicContact CB-CD1 3.79Å; F149-C277 HydrophobicContact CD1-CB 4.1Å; F149-C277 HydrophobicContact CE1-CB 3.56Å; F149-C277 HydrophobicContact CE2-CB 4.41Å; F149-C277 HydrophobicContact CZ-CB 3.76Å; F149-Q280 HydrophobicContact CE1-CB 4.44Å; F149-I281 HydrophobicContact CE1-CG1 4.24Å; F149-I281 HydrophobicContact CZ-CD1 3.93Å; F149-I281 HydrophobicContact CZ-CG1 3.86Å; F149-L336 HydrophobicContact CE2-CB 4.22Å; F149-L336 HydrophobicContact CZ-CD2 4.38Å; F149-S337 PolarHBondContact N-O 3.35Å; F149-T338 WeakPolarHBondContact O-CA 3.4Å; F149-E339 PolarHBondContact O-N 2.91Å |
| 150 | P | 94.6 | Very high | 94.1 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 58% | 0.584 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -77.4 | 28.7 | -179.1 | 35 | -39.1 | 0 | 0 | 0 | 113.2 | L272 | P150-L272 HydrophobicContact CG-CD1 4.28Š|
| 151 | G | 93.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 168 | 166.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F149 L272 T338 | F149-G151 PolarHBondContact O-N 3.4Å; G151-L272 WeakPolarHBondContact O-CD1 3.41Å; G151-T338 VanDerWaalsContact O-CG2 3.32Å; G151-T338 WeakPolarHBondContact O-CG2 3.45Å; G151-T338 PolarHBondContact O-OG1 3.42Å |
| 152 | A | 94 | Very high | 95 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 17% | 0.165 | 19% | 0.186 | C | C | . | . | trans | -72.6 | 152.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A264 A266 S271 L272 | A152-A264 CarbonylContact C-O 3.57Å; A152-A264 VanDerWaalsContact CA-O 3.27Å; A152-A264 WeakPolarHBondContact CA-O 3.25Å; A152-A264 HydrophobicContact CB-CB 3.77Å; A152-A264 WeakPolarHBondContact CB-O 3.35Å; A152-A266 HydrophobicContact CB-CB 3.78Å; A152-S271 WeakPolarHBondContact O-CA 3.19Å; A152-L272 PolarHBondContact O-N 2.64Å | ||
| 153 | V | 94.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -111.3 | 161.4 | -177.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | F149 F161 L263 A264 L265 A266 L272 | F149-V153 HydrophobicContact CD2-CG1 3.85Å; F149-V153 HydrophobicContact CE2-CG1 4.25Å; F149-V153 HydrophobicContact CG-CG1 4.43Å; V153-F161 HydrophobicContact CB-CE2 4.24Å; V153-F161 HydrophobicContact CB-CZ 4.34Å; V153-F161 HydrophobicContact CG1-CE2 4.08Å; V153-F161 HydrophobicContact CG1-CZ 4.09Å; V153-F161 HydrophobicContact CG2-CE2 4.23Å; V153-L263 HydrophobicContact CG2-CB 4.45Å; V153-L263 HydrophobicContact CG2-CD1 4.05Å; V153-L263 HydrophobicContact CG2-CD2 4.38Å; V153-A264 PolarHBondContact N-O 2.89Å; V153-L265 HydrophobicContact CG2-CD2 3.95Å; V153-L265 WeakPolarHBondContact O-CA 3.44Å; V153-A266 PolarHBondContact O-N 3.15Å; V153-L272 HydrophobicContact CG1-CB 4.49Å |
| 154 | T | 93.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 31.2 Ų | 31.2 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | trans | -72.8 | 152.3 | 166.4 | 59 | 0 | 0 | 0 | 0 | 110.8 | D156 G157 C158 S271 | T154-D156 VanDerWaalsContact C-N 3.34Å; T154-G157 WeakPolarHBondContact O-CA 3.38Å; T154-G157 PolarHBondContact O-N 2.72Å; T154-G157 PolarHBondContact OG1-N 3.32Å; T154-C158 PolarHBondContact O-N 3.04Å; T154-S271 VanDerWaalsContact CG2-CB 3.5Å; T154-S271 WeakPolarHBondContact CG2-OG 3.29Å | ||
| 155 | H | 90.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 30.7 Ų | 30.7 | 30% | 0.301 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.2 | -36.4 | 170.3 | 163.7 | -80 | 0 | 0 | 0 | 112.6 | G157 C158 F233 S236 | H155-G157 VanDerWaalsContact C-N 3.28Å; H155-G157 PolarHBondContact O-N 3.05Å; H155-C158 WeakPolarHBondContact O-CB 3.48Å; H155-C158 PolarHBondContact O-N 3.46Å; H155-C158 VanDerWaalsContact O-N 3.15Å; H155-F233 PolarHBondContact CE1-O 3.42Å; H155-F233 PolarHBondContact NE2-O 2.93Å; H155-S236 PolarHBondContact NE2-O 3.1Å |
| 156 | D | 92.6 | Very high | 96 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 43% | 0.428 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -53 | -45.1 | 164.6 | 162.7 | 73.8 | 0 | 0 | 0 | 111.8 | T154 C158 Y159 R160 | T154-D156 VanDerWaalsContact C-N 3.34Å; D156-C158 PolarHBondContact O-N 3.24Å; D156-Y159 PolarHBondContact O-N 3.32Å; D156-Y159 VanDerWaalsContact O-N 3.13Å; D156-R160 WeakPolarHBondContact O-CG 3.37Å; D156-R160 PolarHBondContact O-N 3.43Å; D156-R160 VanDerWaalsContact OD2-CD 3.24Å; D156-R160 WeakPolarHBondContact OD2-CD 3.33Å; D156-R160 IonicContact OD2-NH1 2.71Å |
| 157 | G | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.7 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T154 H155 R160 F161 | T154-G157 WeakPolarHBondContact O-CA 3.38Å; T154-G157 PolarHBondContact O-N 2.72Å; T154-G157 PolarHBondContact OG1-N 3.32Å; H155-G157 VanDerWaalsContact C-N 3.28Å; H155-G157 PolarHBondContact O-N 3.05Å; G157-R160 CarbonylContact O-C 3.54Å; G157-R160 WeakPolarHBondContact O-CA 3.23Å; G157-R160 WeakPolarHBondContact O-CB 3.42Å; G157-R160 PolarHBondContact O-N 3.45Å; G157-R160 VanDerWaalsContact O-N 3.12Å; G157-F161 WeakPolarHBondContact O-CD1 3.42Å; G157-F161 WeakPolarHBondContact O-CD2 3.38Å; G157-F161 WeakPolarHBondContact O-CE1 3.44Å; G157-F161 WeakPolarHBondContact O-CG 3.27Å; G157-F161 PolarHBondContact O-N 3.45Å |
| 158 | C | 96.6 | Very high | 96 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.054 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | T154 H155 D156 R160 F161 V162 F233 M260 | T154-C158 PolarHBondContact O-N 3.04Å; H155-C158 WeakPolarHBondContact O-CB 3.48Å; H155-C158 PolarHBondContact O-N 3.46Å; H155-C158 VanDerWaalsContact O-N 3.15Å; D156-C158 PolarHBondContact O-N 3.24Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.03Å; C158-F161 PolarHBondContact O-N 2.84Å; C158-V162 PolarHBondContact O-N 3.37Å; C158-V162 VanDerWaalsContact O-N 3.11Å; C158-F233 HydrophobicContact CB-CD1 4.18Å; C158-F233 HydrophobicContact CB-CE1 3.73Å; C158-M260 HydrophobicContact CB-SD 3.87Å |
| 159 | Y | 96.6 | Very high | 96 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 171.4 | 156.6 | -115.4 | 0 | 0 | 0 | 110.9 | D156 F161 V162 S163 L226 L229 E230 | D156-Y159 PolarHBondContact O-N 3.32Å; D156-Y159 VanDerWaalsContact O-N 3.13Å; Y159-F161 VanDerWaalsContact C-N 3.32Å; Y159-F161 PolarHBondContact O-N 2.85Å; Y159-V162 PolarHBondContact O-N 3.02Å; Y159-S163 WeakPolarHBondContact O-CB 3.42Å; Y159-S163 PolarHBondContact O-N 3.35Å; Y159-S163 PolarHBondContact O-OG 3.42Å; Y159-L226 WeakPolarHBondContact CE2-O 3.34Å; Y159-L226 PolarHBondContact OH-O 2.94Å; Y159-L229 HydrophobicContact CD2-CB 4.15Å; Y159-L229 HydrophobicContact CE2-CB 4.05Å; Y159-E230 HydrophobicContact CD1-CB 4.15Å; Y159-E230 HydrophobicContact CD1-CG 3.78Å; Y159-E230 HydrophobicContact CD2-CB 4.22Å; Y159-E230 HydrophobicContact CE1-CB 3.69Å; Y159-E230 HydrophobicContact CE1-CG 3.4Å; Y159-E230 WeakPolarHBondContact CE1-OE2 3.36Å; Y159-E230 HydrophobicContact CE2-CB 3.8Å; Y159-E230 HydrophobicContact CE2-CG 4.43Å; Y159-E230 HydrophobicContact CG-CB 4.39Å; Y159-E230 HydrophobicContact CG-CG 4.41Å; Y159-E230 VanDerWaalsContact CZ-CB 3.48Å; Y159-E230 VanDerWaalsContact CZ-OE2 3.22Å; Y159-E230 PolarHBondContact OH-OE2 2.88Å |
| 160 | R | 97.6 | Very high | 96 | Very high | 104 Ų | 104 | 26.8 Ų | 26.8 | 39% | 0.392 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65 | -33.5 | 178.5 | -66.2 | -178 | 65.6 | 179.3 | 3.6 | 112.8 | D156 G157 C158 S163 E164 | D156-R160 WeakPolarHBondContact O-CG 3.37Å; D156-R160 PolarHBondContact O-N 3.43Å; D156-R160 VanDerWaalsContact OD2-CD 3.24Å; D156-R160 WeakPolarHBondContact OD2-CD 3.33Å; D156-R160 IonicContact OD2-NH1 2.71Å; G157-R160 CarbonylContact O-C 3.54Å; G157-R160 WeakPolarHBondContact O-CA 3.23Å; G157-R160 WeakPolarHBondContact O-CB 3.42Å; G157-R160 PolarHBondContact O-N 3.45Å; G157-R160 VanDerWaalsContact O-N 3.12Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.03Å; R160-S163 VanDerWaalsContact CA-OG 3.29Å; R160-S163 WeakPolarHBondContact CA-OG 3.39Å; R160-S163 PolarHBondContact O-OG 2.92Å; R160-E164 WeakPolarHBondContact O-CG 3.4Å; R160-E164 PolarHBondContact O-N 2.95Å |
| 161 | F | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.6 | -50.8 | 172.5 | -53.6 | -23.5 | 0 | 0 | 0 | 110.5 | F149 V153 G157 C158 Y159 S163 I165 A274 C277 L278 I281 L336 | F149-F161 AromaticContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CZ 4.47Å; F149-F161 HydrophobicContact CZ-CE2 4.31Å; V153-F161 HydrophobicContact CB-CE2 4.24Å; V153-F161 HydrophobicContact CB-CZ 4.34Å; V153-F161 HydrophobicContact CG1-CE2 4.08Å; V153-F161 HydrophobicContact CG1-CZ 4.09Å; V153-F161 HydrophobicContact CG2-CE2 4.23Å; G157-F161 WeakPolarHBondContact O-CD1 3.42Å; G157-F161 WeakPolarHBondContact O-CD2 3.38Å; G157-F161 WeakPolarHBondContact O-CE1 3.44Å; G157-F161 WeakPolarHBondContact O-CG 3.27Å; G157-F161 PolarHBondContact O-N 3.45Å; C158-F161 PolarHBondContact O-N 2.84Å; Y159-F161 VanDerWaalsContact C-N 3.32Å; Y159-F161 PolarHBondContact O-N 2.85Å; F161-S163 PolarHBondContact O-N 3.36Å; F161-I165 VanDerWaalsContact O-CB 3.28Å; F161-I165 WeakPolarHBondContact O-CB 3.33Å; F161-I165 WeakPolarHBondContact O-CD1 3.41Å; F161-I165 WeakPolarHBondContact O-CG1 3.27Å; F161-I165 PolarHBondContact O-N 3.16Å; F161-A274 HydrophobicContact CE1-CB 4.08Å; F161-C277 HydrophobicContact CD1-CB 4.45Å; F161-C277 HydrophobicContact CE1-CB 3.43Å; F161-C277 VanDerWaalsContact CE1-CB 3.43Å; F161-C277 HydrophobicContact CE2-CB 4.36Å; F161-C277 HydrophobicContact CZ-CB 3.37Å; F161-L278 HydrophobicContact CD1-CD2 3.86Å; F161-L278 HydrophobicContact CD1-CG 3.89Å; F161-L278 HydrophobicContact CE1-CG 4.23Å; F161-I281 HydrophobicContact CB-CD1 3.87Å; F161-I281 HydrophobicContact CD1-CD1 3.78Å; F161-I281 HydrophobicContact CD2-CD1 4.25Å; F161-I281 HydrophobicContact CE1-CD1 4.46Å; F161-I281 HydrophobicContact CG-CD1 3.68Å; F161-L336 HydrophobicContact CB-CD1 3.99Å; F161-L336 HydrophobicContact CD2-CD1 3.79Å; F161-L336 HydrophobicContact CG-CD1 4.22Å |
| 162 | V | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | -179.6 | 168.1 | 0 | 0 | 0 | 0 | 112.6 | C158 Y159 L166 F233 V241 V258 M260 | C158-V162 PolarHBondContact O-N 3.37Å; C158-V162 VanDerWaalsContact O-N 3.11Å; Y159-V162 PolarHBondContact O-N 3.02Å; V162-L166 VanDerWaalsContact O-CB 3.24Å; V162-L166 WeakPolarHBondContact O-CB 3.49Å; V162-L166 PolarHBondContact O-N 2.84Å; V162-F233 HydrophobicContact CB-CZ 4.33Å; V162-F233 HydrophobicContact CG2-CZ 4Å; V162-V241 HydrophobicContact CG1-CB 4.22Å; V162-V241 HydrophobicContact CG1-CG1 3.89Å; V162-V241 HydrophobicContact CG1-CG2 4.08Å; V162-V241 HydrophobicContact CG2-CB 4.31Å; V162-V241 HydrophobicContact CG2-CG2 3.92Å; V162-V258 HydrophobicContact CG2-CB 4.34Å; V162-V258 HydrophobicContact CG2-CG1 4.1Å; V162-M260 HydrophobicContact CG2-CE 3.47Å; V162-M260 VanDerWaalsContact CG2-CE 3.47Å; V162-M260 HydrophobicContact CG2-SD 4Å |
| 163 | S | 98.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.035 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.1 | -43.1 | -179.3 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | Y159 R160 F161 L166 K167 L226 | Y159-S163 WeakPolarHBondContact O-CB 3.42Å; Y159-S163 PolarHBondContact O-N 3.35Å; Y159-S163 PolarHBondContact O-OG 3.42Å; R160-S163 VanDerWaalsContact CA-OG 3.29Å; R160-S163 WeakPolarHBondContact CA-OG 3.39Å; R160-S163 PolarHBondContact O-OG 2.92Å; F161-S163 PolarHBondContact O-N 3.36Å; S163-L166 PolarHBondContact O-N 2.72Å; S163-K167 VanDerWaalsContact O-CG 3.31Å; S163-K167 WeakPolarHBondContact O-CG 3.49Å; S163-K167 PolarHBondContact O-N 3.04Å; S163-L226 VanDerWaalsContact CB-CD2 3.44Å |
| 164 | E | 98.4 | Very high | 95.8 | Very high | 54 Ų | 54 | 35.3 Ų | 35.3 | 25% | 0.252 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.5 | -38.8 | 175 | -61.8 | -50.6 | 140.4 | 0 | 0 | 112.3 | R160 L166 K167 C168 L278 F282 | R160-E164 WeakPolarHBondContact O-CG 3.4Å; R160-E164 PolarHBondContact O-N 2.95Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.71Å; E164-K167 PolarHBondContact O-N 3.12Å; E164-K167 IonicContact OE1-NZ 2.84Å; E164-K167 PolarHBondContact OE1-NZ 3.22Å; E164-K167 WeakPolarHBondContact OE2-CD 3.3Å; E164-K167 IonicContact OE2-NZ 2.88Å; E164-K167 PolarHBondContact OE2-NZ 3.32Å; E164-C168 VanDerWaalsContact O-CB 3.31Å; E164-C168 WeakPolarHBondContact O-CB 3.4Å; E164-C168 PolarHBondContact O-N 2.89Å; E164-L278 HydrophobicContact CB-CD2 3.76Å; E164-L278 HydrophobicContact CG-CD1 4.1Å; E164-L278 HydrophobicContact CG-CD2 3.9Å; E164-F282 HydrophobicContact CB-CE2 3.87Å; E164-F282 HydrophobicContact CB-CZ 3.84Å |
| 165 | I | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 173.1 | -71.5 | 166.3 | 0 | 0 | 0 | 110.4 | F161 C168 I169 V258 I281 I334 | F161-I165 VanDerWaalsContact O-CB 3.28Å; F161-I165 WeakPolarHBondContact O-CB 3.33Å; F161-I165 WeakPolarHBondContact O-CD1 3.41Å; F161-I165 WeakPolarHBondContact O-CG1 3.27Å; F161-I165 PolarHBondContact O-N 3.16Å; I165-C168 PolarHBondContact O-N 3.06Å; I165-I169 HydrophobicContact CG2-CD1 3.54Å; I165-I169 HydrophobicContact CG2-CG1 4.28Å; I165-I169 WeakPolarHBondContact O-CB 3.3Å; I165-I169 VanDerWaalsContact O-CG1 3.31Å; I165-I169 WeakPolarHBondContact O-CG1 3.42Å; I165-I169 PolarHBondContact O-N 3.05Å; I165-V258 HydrophobicContact CB-CG2 4.45Å; I165-V258 HydrophobicContact CD1-CG1 4.1Å; I165-V258 HydrophobicContact CD1-CG2 4.01Å; I165-V258 HydrophobicContact CG2-CG2 3.78Å; I165-I281 HydrophobicContact CD1-CG2 4.08Å; I165-I281 HydrophobicContact CG1-CG2 4.15Å; I165-I334 HydrophobicContact CD1-CG2 4.4Å; I165-I334 HydrophobicContact CG2-CD1 3.85Å |
| 166 | L | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 175.8 | 172 | 62.8 | 0 | 0 | 0 | 112.2 | V162 S163 E164 C168 I169 L170 L222 L225 L226 L229 L243 V304 | V162-L166 VanDerWaalsContact O-CB 3.24Å; V162-L166 WeakPolarHBondContact O-CB 3.49Å; V162-L166 PolarHBondContact O-N 2.84Å; S163-L166 PolarHBondContact O-N 2.72Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.71Å; L166-C168 VanDerWaalsContact C-N 3.31Å; L166-C168 PolarHBondContact O-N 3.43Å; L166-I169 PolarHBondContact O-N 3.07Å; L166-L170 HydrophobicContact CD1-CD1 3.82Å; L166-L170 HydrophobicContact CD1-CG 4.06Å; L166-L170 HydrophobicContact CG-CD1 4.1Å; L166-L170 WeakPolarHBondContact O-CB 3.12Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.12Å; L166-L170 PolarHBondContact O-N 2.76Å; L166-L222 HydrophobicContact CD2-CD1 4.12Å; L166-L222 HydrophobicContact CG-CD1 4.45Å; L166-L225 HydrophobicContact CD2-CD2 4.08Å; L166-L226 HydrophobicContact CD2-CD2 4.12Å; L166-L229 HydrophobicContact CD2-CD1 4.13Å; L166-L243 HydrophobicContact CB-CD2 4.4Å; L166-L243 HydrophobicContact CD1-CD2 3.48Å; L166-L243 VanDerWaalsContact CD1-CD2 3.48Å; L166-L243 HydrophobicContact CD1-CG 4.04Å; L166-V304 HydrophobicContact CD1-CG2 4.12Å |
| 167 | K | 97.8 | Very high | 95.8 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 175.4 | -68.3 | 166.4 | -175.7 | 180 | 0 | 111.5 | S163 E164 Y171 Y180 | S163-K167 VanDerWaalsContact O-CG 3.31Å; S163-K167 WeakPolarHBondContact O-CG 3.49Å; S163-K167 PolarHBondContact O-N 3.04Å; E164-K167 PolarHBondContact O-N 3.12Å; E164-K167 IonicContact OE1-NZ 2.84Å; E164-K167 PolarHBondContact OE1-NZ 3.22Å; E164-K167 WeakPolarHBondContact OE2-CD 3.3Å; E164-K167 IonicContact OE2-NZ 2.88Å; E164-K167 PolarHBondContact OE2-NZ 3.32Å; K167-Y171 PolarHBondContact O-N 3.09Å; K167-Y171 VanDerWaalsContact O-N 3.1Å; K167-Y180 HydrophobicContact CD-CD1 3.78Å; K167-Y180 HydrophobicContact CD-CE1 4.5Å; K167-Y180 HydrophobicContact CD-CG 3.9Å; K167-Y180 VanDerWaalsContact CE-CD1 3.41Å; K167-Y180 HydrophobicContact CG-CD1 4.31Å; K167-Y180 HydrophobicContact CG-CD2 4.4Å; K167-Y180 HydrophobicContact CG-CG 3.92Å |
| 168 | C | 96.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.9 | -48 | 179.9 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | E164 I165 L166 L170 Y171 Q172 F282 L291 | E164-C168 VanDerWaalsContact O-CB 3.31Å; E164-C168 WeakPolarHBondContact O-CB 3.4Å; E164-C168 PolarHBondContact O-N 2.89Å; I165-C168 PolarHBondContact O-N 3.06Å; L166-C168 VanDerWaalsContact C-N 3.31Å; L166-C168 PolarHBondContact O-N 3.43Å; C168-L170 PolarHBondContact O-N 3.06Å; C168-Y171 PolarHBondContact O-N 3.3Å; C168-Q172 WeakPolarHBondContact O-CB 3.29Å; C168-Q172 WeakPolarHBondContact O-CG 3.43Å; C168-Q172 PolarHBondContact O-N 2.71Å; C168-F282 HydrophobicContact CB-CE1 3.64Å; C168-F282 HydrophobicContact CB-CZ 4.05Å; C168-L291 HydrophobicContact CB-CD1 4.47Å |
| 169 | I | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 177 | -69.9 | 167.9 | 0 | 0 | 0 | 110.7 | I165 L166 Y171 Q172 R173 L243 M245 Y256 L291 | I165-I169 HydrophobicContact CG2-CD1 3.54Å; I165-I169 HydrophobicContact CG2-CG1 4.28Å; I165-I169 WeakPolarHBondContact O-CB 3.3Å; I165-I169 VanDerWaalsContact O-CG1 3.31Å; I165-I169 WeakPolarHBondContact O-CG1 3.42Å; I165-I169 PolarHBondContact O-N 3.05Å; L166-I169 PolarHBondContact O-N 3.07Å; I169-Y171 VanDerWaalsContact C-N 3.25Å; I169-Y171 PolarHBondContact O-N 3.43Å; I169-Q172 PolarHBondContact O-N 2.75Å; I169-R173 HydrophobicContact CG2-CG 4.07Å; I169-R173 WeakPolarHBondContact O-CB 3.19Å; I169-R173 VanDerWaalsContact O-CG 3.29Å; I169-R173 WeakPolarHBondContact O-CG 3.45Å; I169-R173 PolarHBondContact O-N 2.96Å; I169-L243 HydrophobicContact CB-CD2 4.12Å; I169-L243 HydrophobicContact CD1-CD2 3.77Å; I169-L243 HydrophobicContact CG2-CD2 3.99Å; I169-M245 HydrophobicContact CG2-SD 4.18Å; I169-Y256 HydrophobicContact CD1-CD1 3.77Å; I169-Y256 HydrophobicContact CD1-CG 3.86Å; I169-Y256 HydrophobicContact CG1-CD1 4.15Å; I169-Y256 HydrophobicContact CG2-CD1 4.29Å; I169-Y256 HydrophobicContact CG2-CD2 4.03Å; I169-Y256 HydrophobicContact CG2-CE1 4.34Å; I169-Y256 HydrophobicContact CG2-CE2 4.13Å; I169-Y256 HydrophobicContact CG2-CG 4.17Å; I169-L291 HydrophobicContact CD1-CD2 4.35Å; I169-L291 HydrophobicContact CG1-CD1 3.9Å; I169-L291 HydrophobicContact CG1-CD2 3.81Å |
| 170 | L | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -33.6 | 178.2 | -72 | 173 | 0 | 0 | 0 | 112.8 | L166 C168 Q175 L176 L222 T302 I360 | L166-L170 HydrophobicContact CD1-CD1 3.82Å; L166-L170 HydrophobicContact CD1-CG 4.06Å; L166-L170 HydrophobicContact CG-CD1 4.1Å; L166-L170 WeakPolarHBondContact O-CB 3.12Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.12Å; L166-L170 PolarHBondContact O-N 2.76Å; C168-L170 PolarHBondContact O-N 3.06Å; L170-Q175 HydrophobicContact CB-CB 4.47Å; L170-Q175 HydrophobicContact CD2-CB 3.97Å; L170-Q175 HydrophobicContact CD2-CG 4.18Å; L170-Q175 WeakPolarHBondContact O-CA 3.29Å; L170-Q175 WeakPolarHBondContact O-CB 3.2Å; L170-Q175 PolarHBondContact O-N 3.16Å; L170-L176 HydrophobicContact CB-CD1 3.81Å; L170-L176 HydrophobicContact CB-CG 4.04Å; L170-L176 PolarHBondContact O-N 2.99Å; L170-L176 VanDerWaalsContact O-N 3.17Å; L170-L222 HydrophobicContact CD1-CD1 3.82Å; L170-L222 HydrophobicContact CD1-CD2 3.96Å; L170-T302 HydrophobicContact CD2-CG2 4.1Å; L170-I360 HydrophobicContact CD1-CG2 4.42Å |
| 171 | Y | 94.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 32.8 Ų | 32.8 | 37% | 0.369 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -75.8 | -52.5 | 174.9 | 177.1 | -121.4 | 0 | 0 | 0 | 112.7 | K167 C168 I169 R173 Q174 T179 | K167-Y171 PolarHBondContact O-N 3.09Å; K167-Y171 VanDerWaalsContact O-N 3.1Å; C168-Y171 PolarHBondContact O-N 3.3Å; I169-Y171 VanDerWaalsContact C-N 3.25Å; I169-Y171 PolarHBondContact O-N 3.43Å; Y171-R173 VanDerWaalsContact C-N 3.26Å; Y171-R173 PolarHBondContact O-N 3.06Å; Y171-Q174 WeakPolarHBondContact O-CA 3.35Å; Y171-Q174 PolarHBondContact O-N 3.48Å; Y171-T179 HydrophobicContact CD1-CG2 3.97Å; Y171-T179 HydrophobicContact CE1-CG2 3.91Å; Y171-T179 HydrophobicContact CG-CG2 4.3Å |
| 172 | Q | 93.1 | Very high | 95.4 | Very high | 92 Ų | 92 | 37.5 Ų | 37.5 | 43% | 0.43 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.3 | -32.6 | -179.3 | -65.8 | -66.7 | 8.3 | 0 | 0 | 112.5 | C168 I169 Q174 L291 | C168-Q172 WeakPolarHBondContact O-CB 3.29Å; C168-Q172 WeakPolarHBondContact O-CG 3.43Å; C168-Q172 PolarHBondContact O-N 2.71Å; I169-Q172 PolarHBondContact O-N 2.75Å; Q172-Q174 PolarHBondContact O-N 3.11Å; Q172-L291 HydrophobicContact CB-CB 4.13Å; Q172-L291 HydrophobicContact CG-CB 4.23Å; Q172-L291 HydrophobicContact CG-CD1 4.37Å |
| 173 | R | 92.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 23.6 | 172.5 | -53.5 | -50.7 | -62.3 | 145 | -5.5 | 112.9 | I169 Y171 Q175 M245 E254 Y256 L291 D293 V297 | I169-R173 HydrophobicContact CG2-CG 4.07Å; I169-R173 WeakPolarHBondContact O-CB 3.19Å; I169-R173 VanDerWaalsContact O-CG 3.29Å; I169-R173 WeakPolarHBondContact O-CG 3.45Å; I169-R173 PolarHBondContact O-N 2.96Å; Y171-R173 VanDerWaalsContact C-N 3.26Å; Y171-R173 PolarHBondContact O-N 3.06Å; R173-Q175 WeakPolarHBondContact O-CG 3.44Å; R173-Q175 PolarHBondContact O-N 3.36Å; R173-Q175 PolarHBondContact O-NE2 3.31Å; R173-M245 HydrophobicContact CB-CE 3.71Å; R173-M245 HydrophobicContact CB-SD 4.09Å; R173-M245 HydrophobicContact CG-CE 4.36Å; R173-M245 HydrophobicContact CG-SD 4.06Å; R173-E254 IonicContact CZ-OE1 3.08Å; R173-E254 IonicContact CZ-OE2 3.88Å; R173-E254 IonicContact NE-OE1 2.7Å; R173-E254 IonicContact NE-OE2 3.53Å; R173-E254 PolarHBondContact NE-OE2 3.11Å; R173-E254 VanDerWaalsContact NH2-CD 3.35Å; R173-E254 IonicContact NH2-OE1 2.71Å; R173-E254 PolarHBondContact NH2-OE1 3.29Å; R173-E254 IonicContact NH2-OE2 3.15Å; R173-E254 PolarHBondContact NH2-OE2 3.24Å; R173-Y256 WeakPolarHBondContact CD-OH 3.49Å; R173-Y256 HydrophobicContact CG-CE2 4.41Å; R173-Y256 PolarHBondContact NE-OH 2.8Å; R173-L291 WeakPolarHBondContact CD-O 3.39Å; R173-D293 IonicContact CZ-OD2 2.69Å; R173-D293 IonicContact NH1-OD2 2.77Å; R173-D293 IonicContact NH2-OD2 2.9Å; R173-D293 PolarHBondContact NH2-OD2 3.26Å; R173-V297 WeakPolarHBondContact O-CG1 3.43Å |
| 174 | Q | 92.2 | Very high | 94.8 | Very high | 118 Ų | 118 | 38 Ų | 38 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 31.2 | 169.8 | -47.8 | 179.5 | 9.5 | 0 | 0 | 115 | Y171 Q172 V297 L299 | Y171-Q174 WeakPolarHBondContact O-CA 3.35Å; Y171-Q174 PolarHBondContact O-N 3.48Å; Q172-Q174 PolarHBondContact O-N 3.11Å; Q174-V297 HydrophobicContact CB-CB 4.25Å; Q174-V297 HydrophobicContact CB-CG1 3.83Å; Q174-V297 HydrophobicContact CG-CB 4.27Å; Q174-V297 HydrophobicContact CG-CG1 4.24Å; Q174-V297 HydrophobicContact CG-CG2 4.24Å; Q174-L299 WeakPolarHBondContact O-CD2 3.22Å |
| 175 | Q | 93.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -86.1 | -19.1 | 172.2 | -52.7 | -53.3 | -47.3 | 0 | 0 | 111.4 | L170 R173 M245 R298 M300 G362 F363 | L170-Q175 HydrophobicContact CB-CB 4.47Å; L170-Q175 HydrophobicContact CD2-CB 3.97Å; L170-Q175 HydrophobicContact CD2-CG 4.18Å; L170-Q175 WeakPolarHBondContact O-CA 3.29Å; L170-Q175 WeakPolarHBondContact O-CB 3.2Å; L170-Q175 PolarHBondContact O-N 3.16Å; R173-Q175 WeakPolarHBondContact O-CG 3.44Å; R173-Q175 PolarHBondContact O-N 3.36Å; R173-Q175 PolarHBondContact O-NE2 3.31Å; Q175-M245 HydrophobicContact CG-CE 3.42Å; Q175-M245 VanDerWaalsContact CG-CE 3.42Å; Q175-R298 PolarHBondContact NE2-O 3.48Å; Q175-M300 PolarHBondContact OE1-O 3.42Å; Q175-M300 VanDerWaalsContact OE1-O 3.09Å; Q175-G362 CarbonylContact O-C 3.6Å; Q175-G362 WeakPolarHBondContact O-CA 3.35Å; Q175-F363 PolarHBondContact O-N 2.83Å |
| 176 | L | 93.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -120.6 | 134.3 | 171.5 | -59.2 | 175.4 | 0 | 0 | 0 | 108.6 | L170 M178 L183 T218 L222 F363 | L170-L176 HydrophobicContact CB-CD1 3.81Å; L170-L176 HydrophobicContact CB-CG 4.04Å; L170-L176 PolarHBondContact O-N 2.99Å; L170-L176 VanDerWaalsContact O-N 3.17Å; L176-M178 VanDerWaalsContact C-N 3.26Å; L176-M178 WeakPolarHBondContact CB-O 3.18Å; L176-M178 PolarHBondContact O-N 3.06Å; L176-L183 HydrophobicContact CB-CD1 4.07Å; L176-L183 HydrophobicContact CD1-CD1 4.41Å; L176-L183 HydrophobicContact CD2-CD1 3.88Å; L176-L183 HydrophobicContact CG-CD1 4.33Å; L176-T218 HydrophobicContact CD2-CG2 4.2Å; L176-L222 HydrophobicContact CD1-CD2 4.12Å; L176-F363 HydrophobicContact CD2-CD1 4.42Å; L176-F363 HydrophobicContact CD2-CE1 3.79Å |
| 177 | P | 91.6 | Very high | 93.5 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 29% | 0.292 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -78.3 | -8.4 | -175.6 | 31.6 | -35.8 | 0 | 0 | 0 | 114 | L183 F363 | P177-L183 HydrophobicContact CG-CD2 4.29Å; P177-F363 VanDerWaalsContact CD-CZ 3.49Å; P177-F363 HydrophobicContact CG-CD2 4.1Å; P177-F363 HydrophobicContact CG-CE2 3.51Å; P177-F363 HydrophobicContact CG-CZ 3.91Å |
| 178 | M | 93.2 | Very high | 93 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -155.1 | 176.4 | 172.3 | 68.1 | -173 | 70.3 | 0 | 0 | 108.3 | L176 Q182 L183 | L176-M178 VanDerWaalsContact C-N 3.26Å; L176-M178 WeakPolarHBondContact CB-O 3.18Å; L176-M178 PolarHBondContact O-N 3.06Å; M178-Q182 HydrophobicContact CB-CB 4.28Å; M178-Q182 HydrophobicContact CG-CB 3.84Å; M178-Q182 HydrophobicContact SD-CB 3.82Å; M178-L183 HydrophobicContact CE-CD2 4.36Å; M178-L183 HydrophobicContact CG-CB 4.46Å; M178-L183 HydrophobicContact CG-CD2 3.53Å; M178-L183 HydrophobicContact CG-CG 3.54Å; M178-L183 HydrophobicContact SD-CD2 3.96Å; M178-L183 HydrophobicContact SD-CG 4.35Å |
| 179 | T | 95.3 | Very high | 92.6 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | trans | -65.9 | 156.7 | -178.2 | 74.7 | 0 | 0 | 0 | 0 | 111.8 | Y171 D181 Q182 L183 | Y171-T179 HydrophobicContact CD1-CG2 3.97Å; Y171-T179 HydrophobicContact CE1-CG2 3.91Å; Y171-T179 HydrophobicContact CG-CG2 4.3Å; T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 PolarHBondContact O-N 2.99Å; T179-Q182 WeakPolarHBondContact O-CB 3.45Å; T179-Q182 PolarHBondContact O-N 2.89Å; T179-Q182 VanDerWaalsContact O-N 3.14Å; T179-Q182 VanDerWaalsContact OG1-CG 3.27Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.31Å; T179-Q182 PolarHBondContact OG1-OE1 2.61Å; T179-L183 PolarHBondContact O-N 3.45Å | ||
| 180 | Y | 96.1 | Very high | 92 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -51.7 | -48.4 | 179.5 | 173.8 | -95.6 | 0 | 0 | 0 | 112.8 | K167 Q182 L183 V184 L219 L222 E223 L226 | K167-Y180 HydrophobicContact CD-CD1 3.78Å; K167-Y180 HydrophobicContact CD-CE1 4.5Å; K167-Y180 HydrophobicContact CD-CG 3.9Å; K167-Y180 VanDerWaalsContact CE-CD1 3.41Å; K167-Y180 HydrophobicContact CG-CD1 4.31Å; K167-Y180 HydrophobicContact CG-CD2 4.4Å; K167-Y180 HydrophobicContact CG-CG 3.92Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 3.3Å; Y180-L183 WeakPolarHBondContact O-CB 3.4Å; Y180-L183 PolarHBondContact O-N 2.8Å; Y180-V184 HydrophobicContact CD1-CG2 4.37Å; Y180-V184 HydrophobicContact CE1-CG2 3.96Å; Y180-V184 HydrophobicContact CE2-CG2 4.13Å; Y180-V184 WeakPolarHBondContact O-CG2 3.36Å; Y180-V184 PolarHBondContact O-N 3.33Å; Y180-L219 HydrophobicContact CD2-CD2 4.35Å; Y180-L219 HydrophobicContact CE2-CD2 4.44Å; Y180-L222 HydrophobicContact CD2-CD2 3.67Å; Y180-L222 HydrophobicContact CD2-CG 4.28Å; Y180-L222 HydrophobicContact CE2-CD2 4.01Å; Y180-L222 HydrophobicContact CE2-CG 4.14Å; Y180-E223 HydrophobicContact CE2-CG 4.44Å; Y180-E223 VanDerWaalsContact OH-CG 3.31Å; Y180-E223 WeakPolarHBondContact OH-CG 3.42Å; Y180-L226 HydrophobicContact CE2-CD1 3.95Å |
| 181 | D | 95.4 | Very high | 91.4 | Very high | 93 Ų | 93 | 62.3 Ų | 62.3 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.9 | -31 | -178 | -48.8 | -71.3 | 0 | 0 | 0 | 112.4 | T179 Y185 | T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 PolarHBondContact O-N 2.99Å; D181-Y185 VanDerWaalsContact O-CB 3.25Å; D181-Y185 WeakPolarHBondContact O-CB 3.42Å; D181-Y185 PolarHBondContact O-N 3.22Å |
| 182 | Q | 94.8 | Very high | 90.8 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 172.2 | -71.4 | 171.1 | -14.8 | 0 | 0 | 111.4 | M178 T179 Y180 S186 | M178-Q182 HydrophobicContact CB-CB 4.28Å; M178-Q182 HydrophobicContact CG-CB 3.84Å; M178-Q182 HydrophobicContact SD-CB 3.82Å; T179-Q182 WeakPolarHBondContact O-CB 3.45Å; T179-Q182 PolarHBondContact O-N 2.89Å; T179-Q182 VanDerWaalsContact O-N 3.14Å; T179-Q182 VanDerWaalsContact OG1-CG 3.27Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.31Å; T179-Q182 PolarHBondContact OG1-OE1 2.61Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 3.3Å; Q182-S186 WeakPolarHBondContact O-CB 3.07Å; Q182-S186 PolarHBondContact O-N 2.97Å |
| 183 | L | 93.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -53.1 | 173.4 | -75.5 | 176 | 0 | 0 | 0 | 111.3 | L176 P177 M178 T179 Y180 Y185 S186 Q187 L219 F363 | L176-L183 HydrophobicContact CB-CD1 4.07Å; L176-L183 HydrophobicContact CD1-CD1 4.41Å; L176-L183 HydrophobicContact CD2-CD1 3.88Å; L176-L183 HydrophobicContact CG-CD1 4.33Å; P177-L183 HydrophobicContact CG-CD2 4.29Å; M178-L183 HydrophobicContact CE-CD2 4.36Å; M178-L183 HydrophobicContact CG-CB 4.46Å; M178-L183 HydrophobicContact CG-CD2 3.53Å; M178-L183 HydrophobicContact CG-CG 3.54Å; M178-L183 HydrophobicContact SD-CD2 3.96Å; M178-L183 HydrophobicContact SD-CG 4.35Å; T179-L183 PolarHBondContact O-N 3.45Å; Y180-L183 WeakPolarHBondContact O-CB 3.4Å; Y180-L183 PolarHBondContact O-N 2.8Å; L183-Y185 VanDerWaalsContact C-N 3.32Å; L183-Y185 PolarHBondContact O-N 3.1Å; L183-S186 PolarHBondContact O-N 2.98Å; L183-S186 PolarHBondContact O-OG 2.85Å; L183-Q187 PolarHBondContact O-N 2.86Å; L183-L219 HydrophobicContact CB-CD1 3.93Å; L183-L219 HydrophobicContact CB-CD2 3.74Å; L183-L219 HydrophobicContact CB-CG 4.38Å; L183-L219 HydrophobicContact CD1-CD2 3.88Å; L183-L219 HydrophobicContact CD1-CG 4.45Å; L183-L219 HydrophobicContact CG-CD2 4.44Å; L183-F363 HydrophobicContact CD1-CE1 4.36Å; L183-F363 HydrophobicContact CD1-CZ 4.01Å; L183-F363 HydrophobicContact CD2-CZ 4Å |
| 184 | V | 92.8 | Very high | 89 | Confident | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 178.4 | 171 | 0 | 0 | 0 | 0 | 111.7 | Y180 K188 L219 | Y180-V184 HydrophobicContact CD1-CG2 4.37Å; Y180-V184 HydrophobicContact CE1-CG2 3.96Å; Y180-V184 HydrophobicContact CE2-CG2 4.13Å; Y180-V184 WeakPolarHBondContact O-CG2 3.36Å; Y180-V184 PolarHBondContact O-N 3.33Å; V184-K188 HydrophobicContact CG1-CD 3.99Å; V184-K188 VanDerWaalsContact CG1-NZ 3.33Å; V184-K188 WeakPolarHBondContact O-CB 3.3Å; V184-K188 WeakPolarHBondContact O-CG 3.37Å; V184-K188 PolarHBondContact O-N 3.28Å; V184-K188 VanDerWaalsContact O-N 3.09Å; V184-L219 HydrophobicContact CG2-CD2 4.44Å |
| 185 | Y | 92.5 | Very high | 87.7 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 57% | 0.573 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 173.3 | 173.7 | -96.1 | 0 | 0 | 0 | 112 | D181 L183 Q187 K188 K189 | D181-Y185 VanDerWaalsContact O-CB 3.25Å; D181-Y185 WeakPolarHBondContact O-CB 3.42Å; D181-Y185 PolarHBondContact O-N 3.22Å; L183-Y185 VanDerWaalsContact C-N 3.32Å; L183-Y185 PolarHBondContact O-N 3.1Å; Y185-Q187 VanDerWaalsContact C-N 3.34Å; Y185-Q187 PolarHBondContact O-N 3.5Å; Y185-K188 PolarHBondContact O-N 2.98Å; Y185-K189 HydrophobicContact CE1-CD 3.91Å; Y185-K189 WeakPolarHBondContact O-CB 3.49Å; Y185-K189 PolarHBondContact O-N 3.44Å |
| 186 | S | 88.3 | Confident | 86.2 | Confident | 34 Ų | 34 | 76.3 Ų | 76.3 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 179.8 | 79.7 | 0 | 0 | 0 | 0 | 112 | Q182 L183 K189 L190 | Q182-S186 WeakPolarHBondContact O-CB 3.07Å; Q182-S186 PolarHBondContact O-N 2.97Å; L183-S186 PolarHBondContact O-N 2.98Å; L183-S186 PolarHBondContact O-OG 2.85Å; S186-K189 PolarHBondContact O-N 2.86Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 VanDerWaalsContact O-CG 3.27Å; S186-L190 WeakPolarHBondContact O-CG 3.34Å; S186-L190 PolarHBondContact O-N 2.98Å |
| 187 | Q | 86.6 | Confident | 84.6 | Confident | 26 Ų | 26 | 84.7 Ų | 84.7 | 12% | 0.121 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 177.9 | -173 | -178.7 | 3.2 | 0 | 0 | 111.3 | L183 Y185 K189 L190 Q191 H216 L219 | L183-Q187 PolarHBondContact O-N 2.86Å; Y185-Q187 VanDerWaalsContact C-N 3.34Å; Y185-Q187 PolarHBondContact O-N 3.5Å; Q187-K189 PolarHBondContact O-N 3.09Å; Q187-L190 PolarHBondContact O-N 2.77Å; Q187-Q191 WeakPolarHBondContact O-CG 3.42Å; Q187-Q191 PolarHBondContact O-N 3.17Å; Q187-H216 PolarHBondContact NE2-CD2 3.04Å; Q187-H216 VanDerWaalsContact NE2-CD2 3.32Å; Q187-L219 VanDerWaalsContact OE1-CD1 3.32Å |
| 188 | K | 87.8 | Confident | 82.7 | Confident | 122 Ų | 122 | 84.9 Ų | 84.9 | 53% | 0.53 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.8 | -73.1 | 169.5 | -179.7 | 170.6 | 0 | 111.4 | V184 Y185 L190 Q191 T192 | V184-K188 HydrophobicContact CG1-CD 3.99Å; V184-K188 VanDerWaalsContact CG1-NZ 3.33Å; V184-K188 WeakPolarHBondContact O-CB 3.3Å; V184-K188 WeakPolarHBondContact O-CG 3.37Å; V184-K188 PolarHBondContact O-N 3.28Å; V184-K188 VanDerWaalsContact O-N 3.09Å; Y185-K188 PolarHBondContact O-N 2.98Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-L190 PolarHBondContact O-N 3.29Å; K188-Q191 PolarHBondContact O-N 2.91Å; K188-T192 PolarHBondContact O-N 2.95Å; K188-T192 PolarHBondContact O-OG1 2.93Å |
| 189 | K | 86.9 | Confident | 80.7 | Confident | 126 Ų | 126 | 87.7 Ų | 87.7 | 55% | 0.548 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.6 | -174 | 173.3 | -174.1 | 168.9 | 0 | 112.7 | Y185 S186 Q187 S193 | Y185-K189 HydrophobicContact CE1-CD 3.91Å; Y185-K189 WeakPolarHBondContact O-CB 3.49Å; Y185-K189 PolarHBondContact O-N 3.44Å; S186-K189 PolarHBondContact O-N 2.86Å; Q187-K189 PolarHBondContact O-N 3.09Å; K189-S193 WeakPolarHBondContact O-CB 3.5Å; K189-S193 PolarHBondContact O-N 3.14Å; K189-S193 PolarHBondContact O-OG 3.45Å |
| 190 | L | 83.4 | Confident | 78.6 | Confident | 71 Ų | 71 | 91 Ų | 91 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.8 | -76.1 | 169.4 | 0 | 0 | 0 | 111.7 | S186 Q187 K188 S193 K194 L212 | S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 VanDerWaalsContact O-CG 3.27Å; S186-L190 WeakPolarHBondContact O-CG 3.34Å; S186-L190 PolarHBondContact O-N 2.98Å; Q187-L190 PolarHBondContact O-N 2.77Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-L190 PolarHBondContact O-N 3.29Å; L190-S193 PolarHBondContact O-N 2.98Å; L190-S193 PolarHBondContact O-OG 3.48Å; L190-K194 WeakPolarHBondContact O-CG 3.47Å; L190-K194 PolarHBondContact O-N 2.81Å; L190-L212 HydrophobicContact CD1-CD1 3.83Å |
| 191 | Q | 81.9 | Confident | 76.9 | Confident | 94 Ų | 94 | 96.2 Ų | 96.2 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -51.8 | 176.3 | -71.1 | 168.2 | -1.3 | 0 | 0 | 111.5 | Q187 K188 S193 K194 Q195 | Q187-Q191 WeakPolarHBondContact O-CG 3.42Å; Q187-Q191 PolarHBondContact O-N 3.17Å; K188-Q191 PolarHBondContact O-N 2.91Å; Q191-S193 VanDerWaalsContact C-N 3.32Å; Q191-S193 PolarHBondContact O-N 3.47Å; Q191-K194 PolarHBondContact O-N 2.9Å; Q191-K194 VanDerWaalsContact O-N 3.15Å; Q191-Q195 PolarHBondContact O-N 3.32Å; Q191-Q195 VanDerWaalsContact O-N 3.11Å |
| 192 | T | 83.4 | Confident | 74.9 | Confident | 86 Ų | 86 | 102 Ų | 102 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 176 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | K188 K194 Q195 E196 | K188-T192 PolarHBondContact O-N 2.95Å; K188-T192 PolarHBondContact O-OG1 2.93Å; T192-K194 VanDerWaalsContact C-N 3.29Å; T192-K194 PolarHBondContact O-N 3.21Å; T192-Q195 PolarHBondContact O-N 3.42Å; T192-Q195 VanDerWaalsContact O-N 3.12Å; T192-E196 PolarHBondContact O-N 2.94Å |
| 193 | S | 77.3 | Confident | 72.8 | Confident | 47 Ų | 47 | 108.3 Ų | 108.3 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -25.9 | -179.8 | 75.7 | 0 | 0 | 0 | 0 | 114.3 | K189 L190 Q191 R197 | K189-S193 WeakPolarHBondContact O-CB 3.5Å; K189-S193 PolarHBondContact O-N 3.14Å; K189-S193 PolarHBondContact O-OG 3.45Å; L190-S193 PolarHBondContact O-N 2.98Å; L190-S193 PolarHBondContact O-OG 3.48Å; Q191-S193 VanDerWaalsContact C-N 3.32Å; Q191-S193 PolarHBondContact O-N 3.47Å; S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.87Å; S193-R197 VanDerWaalsContact O-N 3.16Å |
| 194 | K | 69.8 | Low | 70.5 | Confident | 136 Ų | 136 | 112.2 Ų | 112.2 | 59% | 0.591 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.1 | -33.7 | 172.3 | -76 | 179.6 | 177.2 | -176.4 | 0 | 111.9 | L190 Q191 T192 | L190-K194 WeakPolarHBondContact O-CG 3.47Å; L190-K194 PolarHBondContact O-N 2.81Å; Q191-K194 PolarHBondContact O-N 2.9Å; Q191-K194 VanDerWaalsContact O-N 3.15Å; T192-K194 VanDerWaalsContact C-N 3.29Å; T192-K194 PolarHBondContact O-N 3.21Å |
| 195 | Q | 64.9 | Low | 68.6 | Low | 169 Ų | 169 | 117.5 Ų | 117.5 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.7 | -39 | 176.7 | -170.9 | 176.1 | 7 | 0 | 0 | 111.9 | Q191 T192 | Q191-Q195 PolarHBondContact O-N 3.32Å; Q191-Q195 VanDerWaalsContact O-N 3.11Å; T192-Q195 PolarHBondContact O-N 3.42Å; T192-Q195 VanDerWaalsContact O-N 3.12Å |
| 196 | E | 61.7 | Low | 66.8 | Low | 167 Ų | 167 | 117 Ų | 117 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.6 | -41.1 | 176.6 | -174.2 | -176.3 | -159.4 | 0 | 0 | 112.4 | T192 G198 | T192-E196 PolarHBondContact O-N 2.94Å; E196-G198 VanDerWaalsContact C-N 3.28Å; E196-G198 PolarHBondContact O-N 3.25Å |
| 197 | R | 59.8 | Low | 65.3 | Low | 178 Ų | 178 | 118.9 Ų | 118.9 | 67% | 0.672 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -88.2 | 56.6 | -176.3 | -163.7 | -178.6 | -67.6 | -87.9 | -3.9 | 112.7 | S193 | S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.87Å; S193-R197 VanDerWaalsContact O-N 3.16Å |
| 198 | G | 51.2 | Low | 64.2 | Low | 50 Ų | 50 | 120.5 Ų | 120.5 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56 | 142.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E196 V200 | E196-G198 VanDerWaalsContact C-N 3.28Å; E196-G198 PolarHBondContact O-N 3.25Å; G198-V200 VanDerWaalsContact C-N 3.35Å; G198-V200 PolarHBondContact O-N 3.22Å |
| 199 | A | 52 | Low | 63.2 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 92% | 0.917 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.3 | 16.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 200 | V | 51.2 | Low | 62.2 | Low | 111 Ų | 111 | 115.5 Ų | 115.5 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | trans | -109.8 | 101 | 172.9 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | G198 R202 | G198-V200 VanDerWaalsContact C-N 3.35Å; G198-V200 PolarHBondContact O-N 3.22Å; V200-R202 PolarHBondContact O-N 3.48Å | ||
| 201 | T | 60.5 | Low | 61.9 | Low | 137 Ų | 137 | 113.8 Ų | 113.8 | 84% | 0.84 | 60% | 0.597 | S | S | * | * | trans | -45.7 | 125.4 | 179 | -50.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 202 | R | 52.7 | Low | 61.8 | Low | 214 Ų | 214 | 111.4 Ų | 111.4 | 81% | 0.808 | 59% | 0.587 | S | S | * | * | trans | -131.1 | 140.2 | 162.8 | -73.4 | -168.6 | 167.9 | -162.4 | -5.2 | 110.6 | V200 | V200-R202 PolarHBondContact O-N 3.48Š| ||
| 203 | R | 51.5 | Low | 61.9 | Low | 233 Ų | 233 | 113.9 Ų | 113.9 | 88% | 0.879 | 59% | 0.587 | S | S | * | * | trans | -58.9 | 140.4 | -176.9 | -75.6 | 176.2 | 167.8 | 155.1 | -5.2 | 111.4 | L205 | R203-L205 PolarHBondContact O-N 2.91Š| ||
| 204 | P | 45.3 | Very low | 62.3 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | trans | -69.1 | 116.4 | 168.2 | 28.6 | -32.7 | 0 | 0 | 0 | 110.2 | H206 | P204-H206 PolarHBondContact O-N 3.36Š| ||
| 205 | L | 52 | Low | 63.1 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | trans | -75.5 | 99.9 | 152.3 | -92.9 | 69.1 | 0 | 0 | 0 | 106 | R203 S207 A208 D209 | R203-L205 PolarHBondContact O-N 2.91Å; L205-S207 PolarHBondContact O-N 2.91Å; L205-S207 VanDerWaalsContact O-N 3.11Å; L205-A208 HydrophobicContact CB-CB 4.32Å; L205-A208 PolarHBondContact O-N 3.06Å; L205-D209 PolarHBondContact O-N 2.85Å | ||
| 206 | H | 54.5 | Low | 64.3 | Low | 134 Ų | 134 | 105.4 Ų | 105.4 | 62% | 0.62 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.7 | -25.1 | -168.9 | -75.7 | -85.1 | 0 | 0 | 0 | 114.5 | P204 L210 | P204-H206 PolarHBondContact O-N 3.36Å; H206-L210 WeakPolarHBondContact O-CD1 3.45Å; H206-L210 VanDerWaalsContact O-CG 3.23Å; H206-L210 WeakPolarHBondContact O-CG 3.27Å; H206-L210 PolarHBondContact O-N 3.02Å |
| 207 | S | 56.4 | Low | 65.8 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -61.6 | 170.6 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | L205 D209 L210 D211 | L205-S207 PolarHBondContact O-N 2.91Å; L205-S207 VanDerWaalsContact O-N 3.11Å; S207-D209 PolarHBondContact O-N 3.02Å; S207-L210 WeakPolarHBondContact O-CA 3.49Å; S207-L210 WeakPolarHBondContact O-CB 3.22Å; S207-L210 PolarHBondContact O-N 3.22Å; S207-D211 PolarHBondContact O-N 2.68Å |
| 208 | A | 63.5 | Low | 67.4 | Low | 59 Ų | 59 | 93.8 Ų | 93.8 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.1 | -30.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L205 L212 | L205-A208 HydrophobicContact CB-CB 4.32Å; L205-A208 PolarHBondContact O-N 3.06Å; A208-L212 WeakPolarHBondContact O-CB 3.34Å; A208-L212 PolarHBondContact O-N 2.96Å |
| 209 | D | 67.1 | Low | 69.4 | Low | 61 Ų | 61 | 91.4 Ų | 91.4 | 33% | 0.326 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.1 | -37.5 | 172.8 | -179.5 | 79.8 | 0 | 0 | 0 | 113.6 | L205 S207 R213 | L205-D209 PolarHBondContact O-N 2.85Å; S207-D209 PolarHBondContact O-N 3.02Å; D209-R213 WeakPolarHBondContact O-CB 3.07Å; D209-R213 WeakPolarHBondContact O-CG 3.44Å; D209-R213 PolarHBondContact O-N 3.45Å; D209-R213 PolarHBondContact O-NE 2.94Å; D209-R213 IonicContact OD2-CZ 2.64Å; D209-R213 IonicContact OD2-NE 3.49Å; D209-R213 PolarHBondContact OD2-NE 3.17Å; D209-R213 IonicContact OD2-NH2 3.1Å; D209-R213 PolarHBondContact OD2-NH2 3.01Å |
| 210 | L | 65.4 | Low | 71.4 | Confident | 83 Ų | 83 | 91.9 Ų | 91.9 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 173.3 | -74.8 | 166.6 | 0 | 0 | 0 | 111.4 | H206 S207 R213 K214 | H206-L210 WeakPolarHBondContact O-CD1 3.45Å; H206-L210 VanDerWaalsContact O-CG 3.23Å; H206-L210 WeakPolarHBondContact O-CG 3.27Å; H206-L210 PolarHBondContact O-N 3.02Å; S207-L210 WeakPolarHBondContact O-CA 3.49Å; S207-L210 WeakPolarHBondContact O-CB 3.22Å; S207-L210 PolarHBondContact O-N 3.22Å; L210-R213 PolarHBondContact O-N 3.24Å; L210-K214 WeakPolarHBondContact O-CG 3.49Å; L210-K214 PolarHBondContact O-N 3.11Å |
| 211 | D | 77 | Confident | 73.6 | Confident | 35 Ų | 35 | 87.2 Ų | 87.2 | 19% | 0.187 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.9 | -36.3 | -179.2 | -59.2 | -48.6 | 0 | 0 | 0 | 111.3 | S207 R213 K214 C215 | S207-D211 PolarHBondContact O-N 2.68Å; D211-R213 VanDerWaalsContact C-N 3.31Å; D211-R213 PolarHBondContact O-N 2.89Å; D211-K214 PolarHBondContact O-N 3.47Å; D211-K214 WeakPolarHBondContact OD1-CE 3.47Å; D211-K214 IonicContact OD1-NZ 3.95Å; D211-K214 PolarHBondContact OD1-NZ 3.09Å; D211-C215 WeakPolarHBondContact O-CB 3.48Å; D211-C215 PolarHBondContact O-N 2.97Å |
| 212 | L | 81.4 | Confident | 75.3 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -37.7 | 168.2 | -174.4 | 64.5 | 0 | 0 | 0 | 112.5 | L190 A208 C215 H216 | L190-L212 HydrophobicContact CD1-CD1 3.83Å; A208-L212 WeakPolarHBondContact O-CB 3.34Å; A208-L212 PolarHBondContact O-N 2.96Å; L212-C215 WeakPolarHBondContact O-CB 3.41Å; L212-C215 PolarHBondContact O-N 3.07Å; L212-H216 PolarHBondContact O-N 2.91Å; L212-H216 PolarHBondContact O-ND1 3.37Å |
| 213 | R | 84.5 | Confident | 77.4 | Confident | 139 Ų | 139 | 74.2 Ų | 74.2 | 53% | 0.525 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 175.7 | -79.7 | -174 | -82.7 | 147.3 | -8.9 | 112.8 | D209 L210 D211 H216 Q217 | D209-R213 WeakPolarHBondContact O-CB 3.07Å; D209-R213 WeakPolarHBondContact O-CG 3.44Å; D209-R213 PolarHBondContact O-N 3.45Å; D209-R213 PolarHBondContact O-NE 2.94Å; D209-R213 IonicContact OD2-CZ 2.64Å; D209-R213 IonicContact OD2-NE 3.49Å; D209-R213 PolarHBondContact OD2-NE 3.17Å; D209-R213 IonicContact OD2-NH2 3.1Å; D209-R213 PolarHBondContact OD2-NH2 3.01Å; L210-R213 PolarHBondContact O-N 3.24Å; D211-R213 VanDerWaalsContact C-N 3.31Å; D211-R213 PolarHBondContact O-N 2.89Å; R213-H216 PolarHBondContact O-N 2.88Å; R213-Q217 WeakPolarHBondContact O-CB 3.38Å; R213-Q217 PolarHBondContact O-N 3.32Å |
| 214 | K | 85.9 | Confident | 79.6 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 170.5 | -65.7 | 169.2 | -164 | 166.3 | 0 | 110.9 | L210 D211 H216 Q217 T218 | L210-K214 WeakPolarHBondContact O-CG 3.49Å; L210-K214 PolarHBondContact O-N 3.11Å; D211-K214 PolarHBondContact O-N 3.47Å; D211-K214 WeakPolarHBondContact OD1-CE 3.47Å; D211-K214 IonicContact OD1-NZ 3.95Å; D211-K214 PolarHBondContact OD1-NZ 3.09Å; K214-H216 PolarHBondContact O-N 3.15Å; K214-Q217 PolarHBondContact O-N 3.21Å; K214-T218 PolarHBondContact O-N 3.23Å; K214-T218 PolarHBondContact O-OG1 2.67Å |
| 215 | C | 87.4 | Confident | 82.1 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.3 | -50 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 111.9 | D211 L212 Q217 T218 L219 F363 | D211-C215 WeakPolarHBondContact O-CB 3.48Å; D211-C215 PolarHBondContact O-N 2.97Å; L212-C215 WeakPolarHBondContact O-CB 3.41Å; L212-C215 PolarHBondContact O-N 3.07Å; C215-Q217 PolarHBondContact O-N 2.79Å; C215-T218 PolarHBondContact O-N 2.86Å; C215-L219 WeakPolarHBondContact O-CB 3.31Å; C215-L219 WeakPolarHBondContact O-CD1 3.49Å; C215-L219 VanDerWaalsContact O-CG 3.3Å; C215-L219 WeakPolarHBondContact O-CG 3.39Å; C215-L219 PolarHBondContact O-N 2.9Å; C215-F363 HydrophobicContact CB-CD2 4.21Å; C215-F363 HydrophobicContact CB-CE2 3.5Å; C215-F363 HydrophobicContact CB-CZ 3.72Å; C215-F363 VanDerWaalsContact SG-CZ 3.6Å |
| 216 | H | 89.2 | Confident | 84.3 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.4 | -79.2 | 64 | 0 | 0 | 0 | 112.4 | Q187 L212 R213 K214 L219 Q220 | Q187-H216 PolarHBondContact NE2-CD2 3.04Å; Q187-H216 VanDerWaalsContact NE2-CD2 3.32Å; L212-H216 PolarHBondContact O-N 2.91Å; L212-H216 PolarHBondContact O-ND1 3.37Å; R213-H216 PolarHBondContact O-N 2.88Å; K214-H216 PolarHBondContact O-N 3.15Å; H216-L219 PolarHBondContact O-N 2.9Å; H216-Q220 WeakPolarHBondContact O-CB 3.33Å; H216-Q220 PolarHBondContact O-N 3Å |
| 217 | Q | 92.8 | Very high | 86.4 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | -179.6 | -178.4 | 63.4 | 37.8 | 0 | 0 | 112.1 | R213 K214 C215 L219 Q220 E221 | R213-Q217 WeakPolarHBondContact O-CB 3.38Å; R213-Q217 PolarHBondContact O-N 3.32Å; K214-Q217 PolarHBondContact O-N 3.21Å; C215-Q217 PolarHBondContact O-N 2.79Å; Q217-L219 VanDerWaalsContact C-N 3.35Å; Q217-Q220 PolarHBondContact O-N 2.95Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.28Å; Q217-E221 PolarHBondContact NE2-OE1 3.07Å; Q217-E221 WeakPolarHBondContact O-CB 3.14Å; Q217-E221 WeakPolarHBondContact O-CG 3.48Å; Q217-E221 PolarHBondContact O-N 3.26Å |
| 218 | T | 93.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 178.8 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | L176 K214 C215 E221 L222 I360 K361 F363 | L176-T218 HydrophobicContact CD2-CG2 4.2Å; K214-T218 PolarHBondContact O-N 3.23Å; K214-T218 PolarHBondContact O-OG1 2.67Å; C215-T218 PolarHBondContact O-N 2.86Å; T218-E221 PolarHBondContact O-N 2.99Å; T218-L222 WeakPolarHBondContact O-CB 3.5Å; T218-L222 PolarHBondContact O-N 2.79Å; T218-I360 HydrophobicContact CG2-CG2 3.86Å; T218-K361 WeakPolarHBondContact CG2-O 3.37Å; T218-K361 PolarHBondContact OG1-O 3.05Å; T218-F363 HydrophobicContact CG2-CD1 3.82Å; T218-F363 HydrophobicContact CG2-CE1 3.94Å |
| 219 | L | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 174.9 | -75.5 | 166 | 0 | 0 | 0 | 111.7 | Y180 L183 V184 Q187 C215 H216 Q217 L222 E223 | Y180-L219 HydrophobicContact CD2-CD2 4.35Å; Y180-L219 HydrophobicContact CE2-CD2 4.44Å; L183-L219 HydrophobicContact CB-CD1 3.93Å; L183-L219 HydrophobicContact CB-CD2 3.74Å; L183-L219 HydrophobicContact CB-CG 4.38Å; L183-L219 HydrophobicContact CD1-CD2 3.88Å; L183-L219 HydrophobicContact CD1-CG 4.45Å; L183-L219 HydrophobicContact CG-CD2 4.44Å; V184-L219 HydrophobicContact CG2-CD2 4.44Å; Q187-L219 VanDerWaalsContact OE1-CD1 3.32Å; C215-L219 WeakPolarHBondContact O-CB 3.31Å; C215-L219 WeakPolarHBondContact O-CD1 3.49Å; C215-L219 VanDerWaalsContact O-CG 3.3Å; C215-L219 WeakPolarHBondContact O-CG 3.39Å; C215-L219 PolarHBondContact O-N 2.9Å; H216-L219 PolarHBondContact O-N 2.9Å; Q217-L219 VanDerWaalsContact C-N 3.35Å; L219-L222 PolarHBondContact O-N 2.84Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 WeakPolarHBondContact O-CG 3.3Å; L219-E223 PolarHBondContact O-N 3.13Å |
| 220 | Q | 95.1 | Very high | 91.4 | Very high | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.8 | -42.8 | 175.3 | -174.7 | 179.3 | -14 | 0 | 0 | 112.2 | H216 Q217 L222 E223 E224 | H216-Q220 WeakPolarHBondContact O-CB 3.33Å; H216-Q220 PolarHBondContact O-N 3Å; Q217-Q220 PolarHBondContact O-N 2.95Å; Q220-L222 PolarHBondContact O-N 2.85Å; Q220-E223 PolarHBondContact O-N 3.3Å; Q220-E224 WeakPolarHBondContact O-CB 3.4Å; Q220-E224 PolarHBondContact O-N 2.94Å |
| 221 | E | 96.2 | Very high | 93 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -35.7 | 174.2 | -76.1 | 174.5 | -163.4 | 0 | 0 | 111.5 | Q217 T218 L225 I360 K361 | Q217-E221 WeakPolarHBondContact CG-OE1 3.28Å; Q217-E221 PolarHBondContact NE2-OE1 3.07Å; Q217-E221 WeakPolarHBondContact O-CB 3.14Å; Q217-E221 WeakPolarHBondContact O-CG 3.48Å; Q217-E221 PolarHBondContact O-N 3.26Å; T218-E221 PolarHBondContact O-N 2.99Å; E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 PolarHBondContact O-N 3.36Å; E221-L225 VanDerWaalsContact O-N 3.15Å; E221-I360 VanDerWaalsContact C-CD1 3.46Å; E221-I360 HydrophobicContact CB-CD1 3.87Å; E221-I360 VanDerWaalsContact O-CD1 3.26Å; E221-I360 WeakPolarHBondContact O-CD1 3.5Å; E221-K361 VanDerWaalsContact CD-NZ 3.26Å; E221-K361 IonicContact OE1-NZ 2.72Å; E221-K361 PolarHBondContact OE1-NZ 3.32Å; E221-K361 IonicContact OE2-NZ 3.14Å; E221-K361 PolarHBondContact OE2-NZ 3.4Å |
| 222 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -80.7 | -39.7 | 179.4 | -178.2 | 57.1 | 0 | 0 | 0 | 113 | L166 L170 L176 Y180 T218 L219 Q220 L225 L226 I360 | L166-L222 HydrophobicContact CD2-CD1 4.12Å; L166-L222 HydrophobicContact CG-CD1 4.45Å; L170-L222 HydrophobicContact CD1-CD1 3.82Å; L170-L222 HydrophobicContact CD1-CD2 3.96Å; L176-L222 HydrophobicContact CD1-CD2 4.12Å; Y180-L222 HydrophobicContact CD2-CD2 3.67Å; Y180-L222 HydrophobicContact CD2-CG 4.28Å; Y180-L222 HydrophobicContact CE2-CD2 4.01Å; Y180-L222 HydrophobicContact CE2-CG 4.14Å; T218-L222 WeakPolarHBondContact O-CB 3.5Å; T218-L222 PolarHBondContact O-N 2.79Å; L219-L222 PolarHBondContact O-N 2.84Å; Q220-L222 PolarHBondContact O-N 2.85Å; L222-L225 HydrophobicContact CD1-CD2 4.49Å; L222-L225 PolarHBondContact O-N 3.41Å; L222-L226 HydrophobicContact CD1-CD1 4.36Å; L222-L226 HydrophobicContact CD1-CG 4.25Å; L222-L226 HydrophobicContact CG-CD1 4.21Å; L222-L226 WeakPolarHBondContact O-CB 3.35Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 3.46Å; L222-I360 HydrophobicContact CB-CD1 4.32Å; L222-I360 HydrophobicContact CD1-CG1 4.45Å |
| 223 | E | 96.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 172.5 | -80.4 | 179.6 | 164.4 | 0 | 0 | 110.9 | Y180 L219 Q220 L226 Q227 | Y180-E223 HydrophobicContact CE2-CG 4.44Å; Y180-E223 VanDerWaalsContact OH-CG 3.31Å; Y180-E223 WeakPolarHBondContact OH-CG 3.42Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 WeakPolarHBondContact O-CG 3.3Å; L219-E223 PolarHBondContact O-N 3.13Å; Q220-E223 PolarHBondContact O-N 3.3Å; E223-L226 PolarHBondContact O-N 3.45Å; E223-Q227 WeakPolarHBondContact O-CB 3.31Å; E223-Q227 PolarHBondContact O-N 3.28Å |
| 224 | E | 97.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 173.6 | -172.1 | -178.4 | -176.4 | 0 | 0 | 111 | Q220 L226 Q227 Q228 W316 | Q220-E224 WeakPolarHBondContact O-CB 3.4Å; Q220-E224 PolarHBondContact O-N 2.94Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.85Å; E224-Q227 PolarHBondContact O-N 3.36Å; E224-Q228 HydrophobicContact CG-CG 4.2Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.12Å; E224-Q228 PolarHBondContact O-N 3.41Å; E224-W316 HydrophobicContact CG-CZ2 3.91Å; E224-W316 PolarHBondContact OE1-NE1 3.43Å |
| 225 | L | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -41.9 | 178.4 | 173.9 | 62 | 0 | 0 | 0 | 112.7 | L166 E221 L222 Q228 L229 V304 W316 F317 A356 I360 | L166-L225 HydrophobicContact CD2-CD2 4.08Å; E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 PolarHBondContact O-N 3.36Å; E221-L225 VanDerWaalsContact O-N 3.15Å; L222-L225 HydrophobicContact CD1-CD2 4.49Å; L222-L225 PolarHBondContact O-N 3.41Å; L225-Q228 PolarHBondContact O-N 2.87Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L225-L229 HydrophobicContact CD1-CG 4.32Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.39Å; L225-V304 HydrophobicContact CD1-CB 4.26Å; L225-V304 HydrophobicContact CD2-CB 4.36Å; L225-V304 HydrophobicContact CD2-CG2 3.82Å; L225-W316 HydrophobicContact CB-CH2 4.23Å; L225-W316 HydrophobicContact CD1-CH2 3.89Å; L225-W316 HydrophobicContact CD1-CZ3 3.88Å; L225-F317 HydrophobicContact CD1-CZ 4.16Å; L225-A356 HydrophobicContact CD1-CB 3.9Å; L225-I360 HydrophobicContact CB-CD1 4.17Å; L225-I360 HydrophobicContact CD2-CD1 3.74Å; L225-I360 HydrophobicContact CD2-CG1 3.59Å |
| 226 | L | 97.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -49.1 | 177 | -73.5 | 171.4 | 0 | 0 | 0 | 111.2 | Y159 S163 L166 Y180 L222 E223 E224 Q228 L229 E230 | Y159-L226 WeakPolarHBondContact CE2-O 3.34Å; Y159-L226 PolarHBondContact OH-O 2.94Å; S163-L226 VanDerWaalsContact CB-CD2 3.44Å; L166-L226 HydrophobicContact CD2-CD2 4.12Å; Y180-L226 HydrophobicContact CE2-CD1 3.95Å; L222-L226 HydrophobicContact CD1-CD1 4.36Å; L222-L226 HydrophobicContact CD1-CG 4.25Å; L222-L226 HydrophobicContact CG-CD1 4.21Å; L222-L226 WeakPolarHBondContact O-CB 3.35Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 3.46Å; E223-L226 PolarHBondContact O-N 3.45Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.85Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.03Å; L226-L229 WeakPolarHBondContact O-CB 3.32Å; L226-L229 PolarHBondContact O-N 3.36Å; L226-E230 PolarHBondContact O-N 3.05Å |
| 227 | Q | 97.6 | Very high | 96.3 | Very high | 106 Ų | 106 | 44.3 Ų | 44.3 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.6 | -34.4 | 178.6 | -175.3 | 65.5 | 95.9 | 0 | 0 | 112.6 | E223 E224 E230 M231 | E223-Q227 WeakPolarHBondContact O-CB 3.31Å; E223-Q227 PolarHBondContact O-N 3.28Å; E224-Q227 PolarHBondContact O-N 3.36Å; Q227-E230 WeakPolarHBondContact O-CB 3.41Å; Q227-M231 PolarHBondContact O-N 2.82Å |
| 228 | Q | 97.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77 | -30.3 | 177.9 | -63.3 | -70.4 | -30.2 | 0 | 0 | 111.9 | E224 L225 L226 L232 W316 F317 | E224-Q228 HydrophobicContact CG-CG 4.2Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.12Å; E224-Q228 PolarHBondContact O-N 3.41Å; L225-Q228 PolarHBondContact O-N 2.87Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.03Å; Q228-L232 WeakPolarHBondContact O-CB 3.46Å; Q228-L232 PolarHBondContact O-N 2.78Å; Q228-W316 HydrophobicContact CB-CD2 3.82Å; Q228-W316 HydrophobicContact CB-CE3 3.55Å; Q228-W316 HydrophobicContact CB-CG 4.34Å; Q228-W316 HydrophobicContact CB-CH2 4.33Å; Q228-W316 HydrophobicContact CB-CZ3 3.82Å; Q228-W316 HydrophobicContact CG-CB 4.36Å; Q228-W316 HydrophobicContact CG-CD2 3.55Å; Q228-W316 HydrophobicContact CG-CE3 3.85Å; Q228-W316 HydrophobicContact CG-CG 3.79Å; Q228-W316 HydrophobicContact CG-CH2 4.43Å; Q228-W316 HydrophobicContact CG-CZ2 4.18Å; Q228-W316 HydrophobicContact CG-CZ3 4.27Å; Q228-F317 HydrophobicContact CB-CE2 3.99Å |
| 229 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 167.4 | -77.5 | 167.6 | 0 | 0 | 0 | 110.8 | Y159 L166 L225 L226 M231 L232 F233 V304 F317 | Y159-L229 HydrophobicContact CD2-CB 4.15Å; Y159-L229 HydrophobicContact CE2-CB 4.05Å; L166-L229 HydrophobicContact CD2-CD1 4.13Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L225-L229 HydrophobicContact CD1-CG 4.32Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.39Å; L226-L229 WeakPolarHBondContact O-CB 3.32Å; L226-L229 PolarHBondContact O-N 3.36Å; L229-M231 VanDerWaalsContact C-N 3.26Å; L229-M231 PolarHBondContact O-N 3.21Å; L229-L232 PolarHBondContact O-N 3.2Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L229-F233 VanDerWaalsContact O-CD2 3.24Å; L229-F233 WeakPolarHBondContact O-CD2 3.45Å; L229-F233 PolarHBondContact O-N 3Å; L229-V304 HydrophobicContact CD2-CG1 4.34Å; L229-F317 HydrophobicContact CD2-CE1 4.41Å; L229-F317 HydrophobicContact CD2-CE2 4.49Å; L229-F317 HydrophobicContact CD2-CZ 3.7Å; L229-F317 HydrophobicContact CG-CZ 4.02Å |
| 230 | E | 97.5 | Very high | 96.9 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 40% | 0.397 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -53.1 | -45.3 | 175.9 | -163 | 170.3 | 130 | 0 | 0 | 112 | Y159 L226 Q227 F233 S234 | Y159-E230 HydrophobicContact CD1-CB 4.15Å; Y159-E230 HydrophobicContact CD1-CG 3.78Å; Y159-E230 HydrophobicContact CD2-CB 4.22Å; Y159-E230 HydrophobicContact CE1-CB 3.69Å; Y159-E230 HydrophobicContact CE1-CG 3.4Å; Y159-E230 WeakPolarHBondContact CE1-OE2 3.36Å; Y159-E230 HydrophobicContact CE2-CB 3.8Å; Y159-E230 HydrophobicContact CE2-CG 4.43Å; Y159-E230 HydrophobicContact CG-CB 4.39Å; Y159-E230 HydrophobicContact CG-CG 4.41Å; Y159-E230 VanDerWaalsContact CZ-CB 3.48Å; Y159-E230 VanDerWaalsContact CZ-OE2 3.22Å; Y159-E230 PolarHBondContact OH-OE2 2.88Å; L226-E230 PolarHBondContact O-N 3.05Å; Q227-E230 WeakPolarHBondContact O-CB 3.41Å; E230-F233 PolarHBondContact O-N 2.91Å; E230-S234 PolarHBondContact O-N 2.82Å |
| 231 | M | 97.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 27% | 0.271 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.6 | -38 | 177.1 | -178.4 | -88.2 | -63.6 | 0 | 0 | 113.2 | Q227 L229 F233 S234 L235 V314 | Q227-M231 PolarHBondContact O-N 2.82Å; L229-M231 VanDerWaalsContact C-N 3.26Å; L229-M231 PolarHBondContact O-N 3.21Å; M231-F233 VanDerWaalsContact C-N 3.32Å; M231-F233 PolarHBondContact O-N 3.38Å; M231-S234 PolarHBondContact O-N 3.17Å; M231-S234 PolarHBondContact O-OG 3.26Å; M231-S234 VanDerWaalsContact O-OG 3.09Å; M231-L235 HydrophobicContact CG-CD1 4.46Å; M231-L235 WeakPolarHBondContact O-CG 3.46Å; M231-L235 PolarHBondContact O-N 2.69Å; M231-L235 HydrophobicContact SD-CD1 3.44Å; M231-L235 WeakPolarHBondContact SD-CD1 3.43Å; M231-L235 HydrophobicContact SD-CG 4.31Å; M231-V314 HydrophobicContact CE-CG2 3.95Å; M231-V314 HydrophobicContact SD-CG2 4.13Å |
| 232 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 173.5 | 174.2 | 58.9 | 0 | 0 | 0 | 111.5 | Q228 L229 L235 S236 V238 A306 A308 V314 F317 | Q228-L232 WeakPolarHBondContact O-CB 3.46Å; Q228-L232 PolarHBondContact O-N 2.78Å; L229-L232 PolarHBondContact O-N 3.2Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L232-L235 PolarHBondContact O-N 3.46Å; L232-S236 PolarHBondContact O-N 3.49Å; L232-V238 HydrophobicContact CG-CG2 4.34Å; L232-A306 HydrophobicContact CD2-CB 3.56Å; L232-A308 HydrophobicContact CD1-CB 3.82Å; L232-A308 HydrophobicContact CG-CB 4.49Å; L232-V314 HydrophobicContact CB-CG2 4.37Å; L232-V314 HydrophobicContact CD1-CB 3.91Å; L232-V314 HydrophobicContact CD1-CG1 3.88Å; L232-V314 HydrophobicContact CD1-CG2 4.03Å; L232-F317 HydrophobicContact CB-CD2 4.35Å; L232-F317 HydrophobicContact CB-CE2 4.19Å; L232-F317 HydrophobicContact CD2-CD1 4.46Å; L232-F317 HydrophobicContact CD2-CD2 4.06Å; L232-F317 HydrophobicContact CD2-CE1 4.45Å; L232-F317 HydrophobicContact CD2-CE2 4.04Å; L232-F317 HydrophobicContact CD2-CG 4.31Å; L232-F317 HydrophobicContact CD2-CZ 4.26Å |
| 233 | F | 96.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -49.9 | 173.8 | -83.3 | -115.3 | 0 | 0 | 0 | 109.8 | H155 C158 V162 L229 E230 M231 L235 S236 V238 V241 M260 | H155-F233 PolarHBondContact CE1-O 3.42Å; H155-F233 PolarHBondContact NE2-O 2.93Å; C158-F233 HydrophobicContact CB-CD1 4.18Å; C158-F233 HydrophobicContact CB-CE1 3.73Å; V162-F233 HydrophobicContact CB-CZ 4.33Å; V162-F233 HydrophobicContact CG2-CZ 4Å; L229-F233 VanDerWaalsContact O-CD2 3.24Å; L229-F233 WeakPolarHBondContact O-CD2 3.45Å; L229-F233 PolarHBondContact O-N 3Å; E230-F233 PolarHBondContact O-N 2.91Å; M231-F233 VanDerWaalsContact C-N 3.32Å; M231-F233 PolarHBondContact O-N 3.38Å; F233-L235 PolarHBondContact O-N 2.96Å; F233-S236 CarbonylContact C-O 3.59Å; F233-S236 CarbonylContact O-C 3.47Å; F233-S236 PolarHBondContact O-N 2.66Å; F233-V238 HydrophobicContact CD1-CB 4.19Å; F233-V238 HydrophobicContact CD1-CG2 4.2Å; F233-V238 HydrophobicContact CD2-CB 4.2Å; F233-V238 HydrophobicContact CD2-CG2 3.71Å; F233-V238 HydrophobicContact CE1-CB 3.79Å; F233-V238 HydrophobicContact CE1-CG1 4.35Å; F233-V238 HydrophobicContact CE1-CG2 4.25Å; F233-V238 HydrophobicContact CE2-CB 3.84Å; F233-V238 HydrophobicContact CE2-CG1 3.8Å; F233-V238 HydrophobicContact CE2-CG2 3.8Å; F233-V238 HydrophobicContact CG-CB 4.39Å; F233-V238 HydrophobicContact CG-CG2 3.94Å; F233-V238 HydrophobicContact CZ-CB 3.62Å; F233-V238 HydrophobicContact CZ-CG1 3.68Å; F233-V238 HydrophobicContact CZ-CG2 4.08Å; F233-V241 HydrophobicContact CZ-CG2 4.33Å; F233-M260 HydrophobicContact CE1-CE 4.39Å; F233-M260 HydrophobicContact CZ-CE 4.13Å |
| 234 | S | 95.8 | Very high | 97.2 | Very high | 89 Ų | 89 | 32.7 Ų | 32.7 | 62% | 0.622 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -60.5 | -16.6 | -178.2 | 72.2 | 0 | 0 | 0 | 0 | 114.9 | E230 M231 | E230-S234 PolarHBondContact O-N 2.82Å; M231-S234 PolarHBondContact O-N 3.17Å; M231-S234 PolarHBondContact O-OG 3.26Å; M231-S234 VanDerWaalsContact O-OG 3.09Å |
| 235 | L | 96.1 | Very high | 97 | Very high | 86 Ų | 86 | 28.9 Ų | 28.9 | 45% | 0.45 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -96.2 | -13.8 | 172.8 | -64.9 | 176.5 | 0 | 0 | 0 | 115.4 | M231 L232 F233 C312 V314 | M231-L235 HydrophobicContact CG-CD1 4.46Å; M231-L235 WeakPolarHBondContact O-CG 3.46Å; M231-L235 PolarHBondContact O-N 2.69Å; M231-L235 HydrophobicContact SD-CD1 3.44Å; M231-L235 WeakPolarHBondContact SD-CD1 3.43Å; M231-L235 HydrophobicContact SD-CG 4.31Å; L232-L235 PolarHBondContact O-N 3.46Å; F233-L235 PolarHBondContact O-N 2.96Å; L235-C312 HydrophobicContact CB-CB 4.32Å; L235-V314 HydrophobicContact CD1-CB 4.43Å |
| 236 | S | 95.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -157.3 | 150.3 | -172.8 | -171.2 | 0 | 0 | 0 | 0 | 113 | H155 L232 F233 H309 | H155-S236 PolarHBondContact NE2-O 3.1Å; L232-S236 PolarHBondContact O-N 3.49Å; F233-S236 CarbonylContact C-O 3.59Å; F233-S236 CarbonylContact O-C 3.47Å; F233-S236 PolarHBondContact O-N 2.66Å; S236-H309 PolarHBondContact OG-N 3.22Å; S236-H309 VanDerWaalsContact OG-N 3.08Å |
| 237 | R | 94.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 18% | 0.177 | 18% | 0.178 | C | C | . | . | trans | -62.4 | 143.4 | 154.9 | -171.3 | 168.2 | 176.3 | 163.9 | -0.9 | 108.2 | E261 L263 L265 E346 W348 Y351 | R237-E261 PolarHBondContact NH2-O 2.89Å; R237-L263 PolarHBondContact NH2-O 3.35Å; R237-L265 HydrophobicContact CG-CD1 4.13Å; R237-E346 WeakPolarHBondContact CD-OE2 3.41Å; R237-E346 IonicContact CZ-OE1 2.8Å; R237-E346 IonicContact CZ-OE2 2.75Å; R237-E346 IonicContact NE-OE2 3.19Å; R237-E346 PolarHBondContact NE-OE2 3.21Å; R237-E346 IonicContact NH1-OE1 3.51Å; R237-E346 PolarHBondContact NH1-OE1 3.5Å; R237-E346 IonicContact NH1-OE2 3.56Å; R237-E346 PolarHBondContact NH1-OE2 2.9Å; R237-W348 HydrophobicContact CG-CH2 4.25Å; R237-W348 HydrophobicContact CG-CZ3 4.42Å; R237-Y351 WeakPolarHBondContact O-CE1 2.96Å | ||
| 238 | V | 97.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | trans | -125.1 | 90.9 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 108 | L232 F233 R240 V241 M260 A306 L307 A308 | L232-V238 HydrophobicContact CG-CG2 4.34Å; F233-V238 HydrophobicContact CD1-CB 4.19Å; F233-V238 HydrophobicContact CD1-CG2 4.2Å; F233-V238 HydrophobicContact CD2-CB 4.2Å; F233-V238 HydrophobicContact CD2-CG2 3.71Å; F233-V238 HydrophobicContact CE1-CB 3.79Å; F233-V238 HydrophobicContact CE1-CG1 4.35Å; F233-V238 HydrophobicContact CE1-CG2 4.25Å; F233-V238 HydrophobicContact CE2-CB 3.84Å; F233-V238 HydrophobicContact CE2-CG1 3.8Å; F233-V238 HydrophobicContact CE2-CG2 3.8Å; F233-V238 HydrophobicContact CG-CB 4.39Å; F233-V238 HydrophobicContact CG-CG2 3.94Å; F233-V238 HydrophobicContact CZ-CB 3.62Å; F233-V238 HydrophobicContact CZ-CG1 3.68Å; F233-V238 HydrophobicContact CZ-CG2 4.08Å; V238-R240 PolarHBondContact O-N 2.77Å; V238-V241 HydrophobicContact CG1-CG2 3.6Å; V238-M260 WeakPolarHBondContact O-CE 3.31Å; V238-A306 HydrophobicContact CG1-CB 4.01Å; V238-L307 WeakPolarHBondContact CA-O 3.35Å; V238-A308 HydrophobicContact CG2-CB 4.48Å | ||
| 239 | P | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -59.2 | -40.6 | 178.4 | 19.3 | -34.8 | 0 | 0 | 0 | 113.7 | N259 M260 E261 L307 W348 Y351 | P239-N259 PolarHBondContact O-OD1 2.86Å; P239-M260 CarbonylContact O-C 3.6Å; P239-M260 WeakPolarHBondContact O-CA 3.24Å; P239-M260 WeakPolarHBondContact O-CB 3.49Å; P239-M260 PolarHBondContact O-N 2.77Å; P239-E261 HydrophobicContact CB-CG 3.56Å; P239-E261 PolarHBondContact O-N 3.35Å; P239-L307 VanDerWaalsContact CD-O 3.3Å; P239-L307 WeakPolarHBondContact CD-O 3.36Å; P239-L307 HydrophobicContact CG-CB 4.13Å; P239-L307 HydrophobicContact CG-CD2 3.86Å; P239-L307 HydrophobicContact CG-CG 3.84Å; P239-W348 HydrophobicContact CB-CD2 4.1Å; P239-W348 HydrophobicContact CB-CE3 3.96Å; P239-W348 HydrophobicContact CB-CH2 3.69Å; P239-W348 HydrophobicContact CB-CZ2 3.83Å; P239-W348 HydrophobicContact CB-CZ3 3.76Å; P239-W348 HydrophobicContact CG-CD2 4.05Å; P239-W348 HydrophobicContact CG-CE3 3.55Å; P239-W348 HydrophobicContact CG-CH2 4.03Å; P239-W348 HydrophobicContact CG-CZ2 4.48Å; P239-W348 HydrophobicContact CG-CZ3 3.55Å; P239-Y351 HydrophobicContact CG-CD1 3.92Å; P239-Y351 HydrophobicContact CG-CE1 4.21Å | ||
| 240 | R | 97.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 36 Ų | 36 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.8 | -170.5 | -74.8 | 164.5 | 67.6 | 177.6 | 12.5 | 112.8 | V238 E257 V258 N259 E261 L307 W353 | V238-R240 PolarHBondContact O-N 2.77Å; R240-E257 IonicContact CZ-OE1 3.79Å; R240-E257 IonicContact NE-OE1 3.22Å; R240-E257 PolarHBondContact NE-OE1 3.22Å; R240-E257 IonicContact NH2-OE1 3.71Å; R240-E257 PolarHBondContact NH2-OE1 3.37Å; R240-E257 IonicContact NH2-OE2 3.89Å; R240-V258 WeakPolarHBondContact CA-O 3.36Å; R240-N259 HydrophobicContact CG-CB 4.17Å; R240-N259 WeakPolarHBondContact CG-OD1 3.34Å; R240-E261 VanDerWaalsContact CD-CD 3.45Å; R240-E261 WeakPolarHBondContact CD-OE1 3.06Å; R240-E261 HydrophobicContact CG-CG 4.27Å; R240-E261 IonicContact NH1-OE1 2.65Å; R240-L307 HydrophobicContact CB-CB 4.24Å; R240-L307 HydrophobicContact CB-CD2 4.39Å; R240-L307 PolarHBondContact O-N 3.05Å; R240-W353 HydrophobicContact CB-CH2 3.75Å; R240-W353 HydrophobicContact CB-CZ2 4.43Å |
| 241 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.6 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | V162 F233 V238 L243 E257 V258 M260 V304 L305 A306 | V162-V241 HydrophobicContact CG1-CB 4.22Å; V162-V241 HydrophobicContact CG1-CG1 3.89Å; V162-V241 HydrophobicContact CG1-CG2 4.08Å; V162-V241 HydrophobicContact CG2-CB 4.31Å; V162-V241 HydrophobicContact CG2-CG2 3.92Å; F233-V241 HydrophobicContact CZ-CG2 4.33Å; V238-V241 HydrophobicContact CG1-CG2 3.6Å; V241-L243 HydrophobicContact CG1-CD1 4.34Å; V241-E257 CarbonylContact O-C 3.55Å; V241-E257 WeakPolarHBondContact O-CA 3.35Å; V241-V258 PolarHBondContact N-O 3Å; V241-V258 PolarHBondContact O-N 3.12Å; V241-M260 HydrophobicContact CG2-CE 4.09Å; V241-V304 HydrophobicContact CG1-CG1 3.9Å; V241-L305 CarbonylContact C-O 3.6Å; V241-L305 WeakPolarHBondContact CA-O 3.41Å; V241-L305 WeakPolarHBondContact CG1-O 3.09Å; V241-A306 HydrophobicContact CG2-CB 4.12Å |
| 242 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.6 | 179.4 | -66.6 | 171.2 | 0 | 0 | 0 | 110.8 | L244 M255 Y256 E257 V304 L305 F323 V325 W353 | L242-L244 HydrophobicContact CB-CD2 4.17Å; L242-M255 HydrophobicContact CD2-CG 4.36Å; L242-M255 HydrophobicContact CD2-SD 4.34Å; L242-Y256 CarbonylContact C-O 3.54Å; L242-Y256 WeakPolarHBondContact CA-O 3.37Å; L242-E257 HydrophobicContact CD2-CB 3.71Å; L242-E257 HydrophobicContact CD2-CG 3.69Å; L242-V304 WeakPolarHBondContact O-CA 3.35Å; L242-L305 HydrophobicContact CB-CB 4.41Å; L242-L305 PolarHBondContact N-O 3.48Å; L242-L305 PolarHBondContact O-N 2.94Å; L242-F323 HydrophobicContact CD1-CE1 3.8Å; L242-F323 HydrophobicContact CD1-CZ 3.98Å; L242-V325 HydrophobicContact CD1-CG1 4.21Å; L242-V325 HydrophobicContact CD1-CG2 4.12Å; L242-V325 HydrophobicContact CD2-CG1 4.35Å; L242-W353 HydrophobicContact CB-CZ3 4.31Å; L242-W353 HydrophobicContact CD1-CD2 4.48Å; L242-W353 HydrophobicContact CD1-CE3 4.11Å; L242-W353 HydrophobicContact CD1-CH2 3.48Å; L242-W353 VanDerWaalsContact CD1-CH2 3.48Å; L242-W353 HydrophobicContact CD1-CZ2 3.9Å; L242-W353 HydrophobicContact CD1-CZ3 3.61Å; L242-W353 HydrophobicContact CG-CH2 3.58Å; L242-W353 HydrophobicContact CG-CZ2 4.44Å; L242-W353 HydrophobicContact CG-CZ3 3.68Å |
| 243 | L | 97.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.5 | 168.6 | -65.5 | 66.6 | 0 | 0 | 0 | 107.7 | L166 I169 V241 M255 Y256 T302 V304 | L166-L243 HydrophobicContact CB-CD2 4.4Å; L166-L243 HydrophobicContact CD1-CD2 3.48Å; L166-L243 VanDerWaalsContact CD1-CD2 3.48Å; L166-L243 HydrophobicContact CD1-CG 4.04Å; I169-L243 HydrophobicContact CB-CD2 4.12Å; I169-L243 HydrophobicContact CD1-CD2 3.77Å; I169-L243 HydrophobicContact CG2-CD2 3.99Å; V241-L243 HydrophobicContact CG1-CD1 4.34Å; L243-M255 WeakPolarHBondContact O-CA 3.38Å; L243-Y256 PolarHBondContact N-O 3.23Å; L243-Y256 PolarHBondContact O-N 2.89Å; L243-T302 HydrophobicContact CB-CG2 4.35Å; L243-V304 HydrophobicContact CG-CG2 4.33Å |
| 244 | L | 96.6 | Very high | 95 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.4 | 179.7 | -51.9 | -168.8 | 0 | 0 | 0 | 109.3 | L242 L249 P252 M255 T302 T303 L305 F323 | L242-L244 HydrophobicContact CB-CD2 4.17Å; L244-L249 HydrophobicContact CD1-CD2 3.86Å; L244-P252 HydrophobicContact CB-CB 4.17Å; L244-P252 HydrophobicContact CD2-CG 4.37Å; L244-M255 HydrophobicContact CD2-CB 4.27Å; L244-M255 HydrophobicContact CD2-CG 3.53Å; L244-M255 HydrophobicContact CD2-SD 3.55Å; L244-M255 VanDerWaalsContact CD2-SD 3.55Å; L244-T302 WeakPolarHBondContact O-CA 3.21Å; L244-T303 PolarHBondContact N-O 3.47Å; L244-T303 PolarHBondContact O-N 3.38Å; L244-L305 HydrophobicContact CD1-CD1 3.54Å; L244-L305 HydrophobicContact CG-CD1 3.7Å; L244-F323 HydrophobicContact CD1-CE2 4.18Å; L244-F323 HydrophobicContact CD1-CZ 4.24Å |
| 245 | M | 93.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.1 | -176.5 | -57 | -172.7 | 72.5 | 0 | 0 | 111.3 | I169 R173 Q175 K253 E254 Y256 M300 T302 | I169-M245 HydrophobicContact CG2-SD 4.18Å; R173-M245 HydrophobicContact CB-CE 3.71Å; R173-M245 HydrophobicContact CB-SD 4.09Å; R173-M245 HydrophobicContact CG-CE 4.36Å; R173-M245 HydrophobicContact CG-SD 4.06Å; Q175-M245 HydrophobicContact CG-CE 3.42Å; Q175-M245 VanDerWaalsContact CG-CE 3.42Å; M245-K253 WeakPolarHBondContact O-CB 3.37Å; M245-K253 PolarHBondContact O-N 2.86Å; M245-E254 HydrophobicContact CB-CB 4.2Å; M245-E254 PolarHBondContact N-O 2.87Å; M245-E254 PolarHBondContact O-N 2.91Å; M245-Y256 HydrophobicContact CG-CE2 4.4Å; M245-Y256 HydrophobicContact SD-CD2 4.13Å; M245-Y256 HydrophobicContact SD-CE2 3.63Å; M245-M300 HydrophobicContact CB-CE 4.24Å; M245-T302 HydrophobicContact CG-CG2 4.06Å |
| 246 | G | 92.4 | Very high | 95 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 61.5 | -176.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S248 P252 P301 | G246-S248 PolarHBondContact O-N 2.9Å; G246-P252 WeakPolarHBondContact O-CA 3.37Å; G246-P301 PolarHBondContact N-O 2.9Å |
| 247 | G | 91.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 32.4 Ų | 32.4 | 65% | 0.649 | 18% | 0.179 | S | C | * | . | S | Bend | trans | 67.3 | -125.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 248 | S | 92.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 30.2 Ų | 30.2 | 44% | 0.441 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -142.9 | 165.7 | 179.9 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | G246 I250 L251 P252 | G246-S248 PolarHBondContact O-N 2.9Å; S248-I250 PolarHBondContact O-N 2.83Å; S248-L251 PolarHBondContact N-O 2.86Å; S248-L251 CarbonylContact O-C 3.53Å; S248-L251 PolarHBondContact O-N 2.98Å; S248-L251 VanDerWaalsContact O-N 3.1Å; S248-L251 PolarHBondContact OG-N 2.78Å; S248-L251 PolarHBondContact OG-O 2.87Å; S248-P252 WeakPolarHBondContact O-CA 3.5Å; S248-P252 WeakPolarHBondContact O-CD 3.41Å |
| 249 | L | 92.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 31 Ų | 31 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24 | 177 | -59.1 | 178.9 | 0 | 0 | 0 | 114.2 | L244 T303 L305 F323 P326 | L244-L249 HydrophobicContact CD1-CD2 3.86Å; L249-T303 HydrophobicContact CD2-CG2 4.11Å; L249-L305 HydrophobicContact CD2-CD1 4.34Å; L249-F323 HydrophobicContact CB-CD2 4.45Å; L249-F323 HydrophobicContact CB-CE2 4.26Å; L249-F323 WeakPolarHBondContact O-CE2 3.41Å; L249-P326 WeakPolarHBondContact O-CG 3.46Å |
| 250 | I | 92.7 | Very high | 95.3 | Very high | 125 Ų | 125 | 31.2 Ų | 31.2 | 64% | 0.641 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -20.4 | -177 | -58.4 | 172 | 0 | 0 | 0 | 111.6 | S248 | S248-I250 PolarHBondContact O-N 2.83Š|
| 251 | L | 93.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 31.2 Ų | 31.2 | 44% | 0.44 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -154.8 | 82.1 | 179.4 | -168.3 | 72.6 | 0 | 0 | 0 | 108.1 | S248 R328 V329 | S248-L251 PolarHBondContact N-O 2.86Å; S248-L251 CarbonylContact O-C 3.53Å; S248-L251 PolarHBondContact O-N 2.98Å; S248-L251 VanDerWaalsContact O-N 3.1Å; S248-L251 PolarHBondContact OG-N 2.78Å; S248-L251 PolarHBondContact OG-O 2.87Å; L251-R328 HydrophobicContact CD1-CB 4.16Å; L251-V329 HydrophobicContact CD1-CG2 3.87Å |
| 252 | P | 94.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.045 | 19% | 0.191 | C | C | . | . | trans | -71.7 | 174 | 171.7 | 30.7 | -35.8 | 0 | 0 | 0 | 110.3 | L244 G246 S248 M255 P326 V329 | L244-P252 HydrophobicContact CB-CB 4.17Å; L244-P252 HydrophobicContact CD2-CG 4.37Å; G246-P252 WeakPolarHBondContact O-CA 3.37Å; S248-P252 WeakPolarHBondContact O-CA 3.5Å; S248-P252 WeakPolarHBondContact O-CD 3.41Å; P252-M255 HydrophobicContact CG-CB 4.24Å; P252-P326 HydrophobicContact CG-CB 4.38Å; P252-P326 HydrophobicContact CG-CG 4.29Å; P252-V329 HydrophobicContact CG-CG1 4.47Å; P252-V329 HydrophobicContact CG-CG2 4.07Å; P252-V329 WeakPolarHBondContact O-CG2 3.12Å | ||
| 253 | K | 92.6 | Very high | 94.7 | Very high | 125 Ų | 125 | 33.1 Ų | 33.1 | 54% | 0.543 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -87.4 | -41.8 | 171.3 | -70.8 | 175.6 | 169 | -176.4 | 0 | 111.7 | M245 M300 | M245-K253 WeakPolarHBondContact O-CB 3.37Å; M245-K253 PolarHBondContact O-N 2.86Å; K253-M300 HydrophobicContact CB-SD 3.97Å; K253-M300 HydrophobicContact CD-SD 3.42Å; K253-M300 WeakPolarHBondContact CD-SD 3.45Å; K253-M300 HydrophobicContact CG-SD 4.33Å |
| 254 | E | 92.3 | Very high | 94.4 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.8 | 171.3 | -56.1 | 171.6 | -143.2 | 0 | 0 | 109 | R173 M245 Y256 M300 | R173-E254 IonicContact CZ-OE1 3.08Å; R173-E254 IonicContact CZ-OE2 3.88Å; R173-E254 IonicContact NE-OE1 2.7Å; R173-E254 IonicContact NE-OE2 3.53Å; R173-E254 PolarHBondContact NE-OE2 3.11Å; R173-E254 VanDerWaalsContact NH2-CD 3.35Å; R173-E254 IonicContact NH2-OE1 2.71Å; R173-E254 PolarHBondContact NH2-OE1 3.29Å; R173-E254 IonicContact NH2-OE2 3.15Å; R173-E254 PolarHBondContact NH2-OE2 3.24Å; M245-E254 HydrophobicContact CB-CB 4.2Å; M245-E254 PolarHBondContact N-O 2.87Å; M245-E254 PolarHBondContact O-N 2.91Å; E254-Y256 HydrophobicContact CB-CE2 3.82Å; E254-Y256 WeakPolarHBondContact OE2-CE2 3.44Å; E254-Y256 PolarHBondContact OE2-OH 3.43Å; E254-M300 WeakPolarHBondContact OE1-CE 3.33Å |
| 255 | M | 94.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129.4 | 176.7 | -175.6 | 162.6 | 84.6 | 0 | 0 | 109.4 | L242 L243 L244 P252 V325 P326 N331 K332 | L242-M255 HydrophobicContact CD2-CG 4.36Å; L242-M255 HydrophobicContact CD2-SD 4.34Å; L243-M255 WeakPolarHBondContact O-CA 3.38Å; L244-M255 HydrophobicContact CD2-CB 4.27Å; L244-M255 HydrophobicContact CD2-CG 3.53Å; L244-M255 HydrophobicContact CD2-SD 3.55Å; L244-M255 VanDerWaalsContact CD2-SD 3.55Å; P252-M255 HydrophobicContact CG-CB 4.24Å; M255-V325 HydrophobicContact CE-CG1 3.61Å; M255-V325 HydrophobicContact SD-CG1 4.08Å; M255-P326 WeakPolarHBondContact CE-O 3.49Å; M255-P326 HydrophobicContact SD-CB 4.22Å; M255-P326 HydrophobicContact SD-CG 4.14Å; M255-N331 HydrophobicContact CE-CB 3.81Å; M255-N331 PolarHBondContact O-OD1 3.47Å; M255-K332 PolarHBondContact O-N 3.31Å |
| 256 | Y | 97.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.8 | 173 | -57.3 | -104 | 0 | 0 | 0 | 108.5 | I169 R173 L242 L243 M245 E254 L291 K332 | I169-Y256 HydrophobicContact CD1-CD1 3.77Å; I169-Y256 HydrophobicContact CD1-CG 3.86Å; I169-Y256 HydrophobicContact CG1-CD1 4.15Å; I169-Y256 HydrophobicContact CG2-CD1 4.29Å; I169-Y256 HydrophobicContact CG2-CD2 4.03Å; I169-Y256 HydrophobicContact CG2-CE1 4.34Å; I169-Y256 HydrophobicContact CG2-CE2 4.13Å; I169-Y256 HydrophobicContact CG2-CG 4.17Å; R173-Y256 WeakPolarHBondContact CD-OH 3.49Å; R173-Y256 HydrophobicContact CG-CE2 4.41Å; R173-Y256 PolarHBondContact NE-OH 2.8Å; L242-Y256 CarbonylContact C-O 3.54Å; L242-Y256 WeakPolarHBondContact CA-O 3.37Å; L243-Y256 PolarHBondContact N-O 3.23Å; L243-Y256 PolarHBondContact O-N 2.89Å; M245-Y256 HydrophobicContact CG-CE2 4.4Å; M245-Y256 HydrophobicContact SD-CD2 4.13Å; M245-Y256 HydrophobicContact SD-CE2 3.63Å; E254-Y256 HydrophobicContact CB-CE2 3.82Å; E254-Y256 WeakPolarHBondContact OE2-CE2 3.44Å; E254-Y256 PolarHBondContact OE2-OH 3.43Å; Y256-L291 HydrophobicContact CD1-CD2 3.95Å; Y256-L291 HydrophobicContact CE1-CD2 3.78Å; Y256-K332 WeakPolarHBondContact CA-O 3.42Å; Y256-K332 HydrophobicContact CD1-CB 3.63Å; Y256-K332 HydrophobicContact CD1-CD 4.01Å; Y256-K332 HydrophobicContact CD1-CG 4.44Å; Y256-K332 HydrophobicContact CE1-CB 3.89Å; Y256-K332 HydrophobicContact CE1-CD 3.32Å; Y256-K332 HydrophobicContact CE1-CG 4.21Å; Y256-K332 HydrophobicContact CG-CB 4.28Å |
| 257 | E | 98.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.5 | -177.8 | -176.3 | 170.1 | 160 | 0 | 0 | 110.1 | R240 V241 L242 N331 K332 I333 I334 | R240-E257 IonicContact CZ-OE1 3.79Å; R240-E257 IonicContact NE-OE1 3.22Å; R240-E257 PolarHBondContact NE-OE1 3.22Å; R240-E257 IonicContact NH2-OE1 3.71Å; R240-E257 PolarHBondContact NH2-OE1 3.37Å; R240-E257 IonicContact NH2-OE2 3.89Å; V241-E257 CarbonylContact O-C 3.55Å; V241-E257 WeakPolarHBondContact O-CA 3.35Å; L242-E257 HydrophobicContact CD2-CB 3.71Å; L242-E257 HydrophobicContact CD2-CG 3.69Å; E257-N331 PolarHBondContact OE2-ND2 2.96Å; E257-K332 PolarHBondContact N-O 2.93Å; E257-I333 HydrophobicContact CB-CG1 4.29Å; E257-I333 HydrophobicContact CB-CG2 4.49Å; E257-I333 CarbonylContact O-C 3.51Å; E257-I333 WeakPolarHBondContact O-CA 3.13Å; E257-I334 PolarHBondContact O-N 2.95Å |
| 258 | V | 98.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 113 | 167.4 | -173.5 | 0 | 0 | 0 | 0 | 107 | V162 I165 R240 V241 M260 I334 L336 | V162-V258 HydrophobicContact CG2-CB 4.34Å; V162-V258 HydrophobicContact CG2-CG1 4.1Å; I165-V258 HydrophobicContact CB-CG2 4.45Å; I165-V258 HydrophobicContact CD1-CG1 4.1Å; I165-V258 HydrophobicContact CD1-CG2 4.01Å; I165-V258 HydrophobicContact CG2-CG2 3.78Å; R240-V258 WeakPolarHBondContact CA-O 3.36Å; V241-V258 PolarHBondContact N-O 3Å; V241-V258 PolarHBondContact O-N 3.12Å; V258-M260 HydrophobicContact CG1-CE 4.24Å; V258-M260 HydrophobicContact CG1-CG 4.2Å; V258-M260 HydrophobicContact CG1-SD 4.32Å; V258-I334 WeakPolarHBondContact CA-O 3.47Å; V258-L336 HydrophobicContact CG1-CD1 4.04Å; V258-L336 HydrophobicContact CG1-CG 4.38Å |
| 259 | N | 97.6 | Very high | 91.2 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.6 | 175.2 | -168.4 | -4.1 | 0 | 0 | 0 | 110.1 | P239 R240 E261 I334 L336 | P239-N259 PolarHBondContact O-OD1 2.86Å; R240-N259 HydrophobicContact CG-CB 4.17Å; R240-N259 WeakPolarHBondContact CG-OD1 3.34Å; N259-E261 PolarHBondContact ND2-OE2 2.74Å; N259-E261 VanDerWaalsContact OD1-CB 3.32Å; N259-E261 WeakPolarHBondContact OD1-CB 3.08Å; N259-E261 WeakPolarHBondContact OD1-CG 3.04Å; N259-E261 PolarHBondContact OD1-N 3.45Å; N259-E261 PolarHBondContact OD1-OE2 2.9Å; N259-I334 PolarHBondContact N-O 3.47Å; N259-L336 PolarHBondContact O-N 3.48Å |
| 260 | M | 96.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | trans | -134.1 | 11.7 | -176.7 | -66.8 | 174.4 | -74 | 0 | 0 | 111.6 | C158 V162 F233 V238 P239 V241 V258 A262 L263 L336 | C158-M260 HydrophobicContact CB-SD 3.87Å; V162-M260 HydrophobicContact CG2-CE 3.47Å; V162-M260 VanDerWaalsContact CG2-CE 3.47Å; V162-M260 HydrophobicContact CG2-SD 4Å; F233-M260 HydrophobicContact CE1-CE 4.39Å; F233-M260 HydrophobicContact CZ-CE 4.13Å; V238-M260 WeakPolarHBondContact O-CE 3.31Å; P239-M260 CarbonylContact O-C 3.6Å; P239-M260 WeakPolarHBondContact O-CA 3.24Å; P239-M260 WeakPolarHBondContact O-CB 3.49Å; P239-M260 PolarHBondContact O-N 2.77Å; V241-M260 HydrophobicContact CG2-CE 4.09Å; V258-M260 HydrophobicContact CG1-CE 4.24Å; V258-M260 HydrophobicContact CG1-CG 4.2Å; V258-M260 HydrophobicContact CG1-SD 4.32Å; M260-A262 PolarHBondContact O-N 3.01Å; M260-L263 HydrophobicContact CB-CD1 3.76Å; M260-L263 HydrophobicContact CB-CG 4.25Å; M260-L263 HydrophobicContact CG-CD1 3.72Å; M260-L263 PolarHBondContact O-N 3.35Å; M260-L263 HydrophobicContact SD-CD1 4.39Å; M260-L336 HydrophobicContact CG-CB 4.25Å; M260-L336 HydrophobicContact CG-CD1 3.99Å; M260-L336 HydrophobicContact CG-CG 4.39Å; M260-L336 HydrophobicContact SD-CD1 4.44Å | ||
| 261 | E | 94.8 | Very high | 90.6 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -39.4 | 175.4 | -71.3 | 165.8 | 163.7 | 0 | 0 | 111 | R237 P239 R240 N259 L263 W348 | R237-E261 PolarHBondContact NH2-O 2.89Å; P239-E261 HydrophobicContact CB-CG 3.56Å; P239-E261 PolarHBondContact O-N 3.35Å; R240-E261 VanDerWaalsContact CD-CD 3.45Å; R240-E261 WeakPolarHBondContact CD-OE1 3.06Å; R240-E261 HydrophobicContact CG-CG 4.27Å; R240-E261 IonicContact NH1-OE1 2.65Å; N259-E261 PolarHBondContact ND2-OE2 2.74Å; N259-E261 VanDerWaalsContact OD1-CB 3.32Å; N259-E261 WeakPolarHBondContact OD1-CB 3.08Å; N259-E261 WeakPolarHBondContact OD1-CG 3.04Å; N259-E261 PolarHBondContact OD1-N 3.45Å; N259-E261 PolarHBondContact OD1-OE2 2.9Å; E261-L263 PolarHBondContact O-N 2.96Å; E261-W348 HydrophobicContact CB-CZ2 4.33Å; E261-W348 HydrophobicContact CG-CZ2 4.18Å |
| 262 | A | 93.8 | Very high | 90.6 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 11.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | M260 S337 T338 | M260-A262 PolarHBondContact O-N 3.01Å; A262-S337 WeakPolarHBondContact O-CA 3.3Å; A262-T338 PolarHBondContact O-N 3.45Å; A262-T338 VanDerWaalsContact O-N 3.1Å |
| 263 | L | 93.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 131.4 | 173.9 | -72.4 | -179.5 | 0 | 0 | 0 | 111.8 | F149 V153 R237 M260 E261 L265 L336 | F149-L263 HydrophobicContact CD2-CD2 3.58Å; F149-L263 HydrophobicContact CE2-CD2 3.77Å; V153-L263 HydrophobicContact CG2-CB 4.45Å; V153-L263 HydrophobicContact CG2-CD1 4.05Å; V153-L263 HydrophobicContact CG2-CD2 4.38Å; R237-L263 PolarHBondContact NH2-O 3.35Å; M260-L263 HydrophobicContact CB-CD1 3.76Å; M260-L263 HydrophobicContact CB-CG 4.25Å; M260-L263 HydrophobicContact CG-CD1 3.72Å; M260-L263 PolarHBondContact O-N 3.35Å; M260-L263 HydrophobicContact SD-CD1 4.39Å; E261-L263 PolarHBondContact O-N 2.96Å; L263-L265 HydrophobicContact CB-CD2 4.49Å; L263-L336 HydrophobicContact CD1-CB 4Å; L263-L336 HydrophobicContact CD2-CB 3.93Å; L263-L336 HydrophobicContact CG-CB 4.05Å |
| 264 | A | 91.7 | Very high | 90.8 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 129.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A152 V153 T338 H341 | A152-A264 CarbonylContact C-O 3.57Å; A152-A264 VanDerWaalsContact CA-O 3.27Å; A152-A264 WeakPolarHBondContact CA-O 3.25Å; A152-A264 HydrophobicContact CB-CB 3.77Å; A152-A264 WeakPolarHBondContact CB-O 3.35Å; V153-A264 PolarHBondContact N-O 2.89Å; A264-T338 HydrophobicContact CB-CG2 3.88Å; A264-T338 PolarHBondContact N-OG1 3.12Å; A264-H341 HydrophobicContact CB-CB 4.25Å |
| 265 | L | 91.1 | Very high | 91 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -103 | 129.8 | 178.9 | -60 | -177.4 | 0 | 0 | 0 | 110.3 | V153 R237 L263 | V153-L265 HydrophobicContact CG2-CD2 3.95Å; V153-L265 WeakPolarHBondContact O-CA 3.44Å; R237-L265 HydrophobicContact CG-CD1 4.13Å; L263-L265 HydrophobicContact CB-CD2 4.49Å |
| 266 | A | 88.1 | Confident | 91.1 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | trans | -113.1 | 139.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A152 V153 | A152-A266 HydrophobicContact CB-CB 3.78Å; V153-A266 PolarHBondContact O-N 3.15Å | ||
| 267 | A | 77.8 | Confident | 91.1 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 88% | 0.884 | 32% | 0.315 | S | S | * | . | trans | -89.8 | 117 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 268 | G | 70.5 | Confident | 91.1 | Very high | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 87.3 | -154.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q270 S271 | G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 2.7Å; G268-Q270 VanDerWaalsContact O-N 3.15Å; G268-S271 WeakPolarHBondContact O-CB 3.47Å; G268-S271 PolarHBondContact O-N 2.89Å; G268-S271 PolarHBondContact O-OG 2.85Å |
| 269 | D | 72.9 | Confident | 91.1 | Very high | 167 Ų | 167 | 63.2 Ų | 63.2 | 89% | 0.893 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -9.3 | -157.4 | -57.2 | -34.9 | 0 | 0 | 0 | 116.1 | S271 | D269-S271 PolarHBondContact O-N 2.83Š|
| 270 | Q | 81.2 | Confident | 91.1 | Very high | 180 Ų | 180 | 65.3 Ų | 65.3 | 84% | 0.841 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2 | 174.1 | -57.8 | -61.2 | -21.4 | 0 | 0 | 112.8 | G268 | G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 2.7Å; G268-Q270 VanDerWaalsContact O-N 3.15Å |
| 271 | S | 91.8 | Very high | 91.2 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 19% | 0.189 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -80.8 | 148.4 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | A152 T154 G268 D269 | A152-S271 WeakPolarHBondContact O-CA 3.19Å; T154-S271 VanDerWaalsContact CG2-CB 3.5Å; T154-S271 WeakPolarHBondContact CG2-OG 3.29Å; G268-S271 WeakPolarHBondContact O-CB 3.47Å; G268-S271 PolarHBondContact O-N 2.89Å; G268-S271 PolarHBondContact O-OG 2.85Å; D269-S271 PolarHBondContact O-N 2.83Å |
| 272 | L | 93.7 | Very high | 91.3 | Very high | 50 Ų | 50 | 65.4 Ų | 65.4 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -65.7 | 135.8 | 169.8 | -66 | 179.1 | 0 | 0 | 0 | 110.9 | F149 P150 G151 A152 V153 A274 | F149-L272 HydrophobicContact CB-CD1 3.79Å; P150-L272 HydrophobicContact CG-CD1 4.28Å; G151-L272 WeakPolarHBondContact O-CD1 3.41Å; A152-L272 PolarHBondContact O-N 2.64Å; V153-L272 HydrophobicContact CG1-CB 4.49Å; L272-A274 PolarHBondContact O-N 3.1Å |
| 273 | R | 94.8 | Very high | 91.5 | Very high | 201 Ų | 201 | 70 Ų | 70 | 76% | 0.758 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 122.8 | 175.1 | -67.8 | -177 | 178.4 | -179.2 | -0.1 | 110 | S275 S276 C277 | R273-S275 PolarHBondContact O-N 3.3Å; R273-S276 WeakPolarHBondContact O-CA 3.26Å; R273-S276 WeakPolarHBondContact O-CB 3.36Å; R273-S276 PolarHBondContact O-N 2.95Å; R273-C277 PolarHBondContact O-N 3.29Å |
| 274 | A | 95.5 | Very high | 91.6 | Very high | 8 Ų | 8 | 70.3 Ų | 70.3 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -53.1 | -31.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F161 L272 S276 C277 L278 | F161-A274 HydrophobicContact CE1-CB 4.08Å; L272-A274 PolarHBondContact O-N 3.1Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.42Å; A274-C277 PolarHBondContact O-N 3.5Å; A274-L278 VanDerWaalsContact O-CB 3.31Å; A274-L278 WeakPolarHBondContact O-CB 3.23Å; A274-L278 VanDerWaalsContact O-CG 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.41Å; A274-L278 PolarHBondContact O-N 2.94Å |
| 275 | S | 96.5 | Very high | 91.8 | Very high | 58 Ų | 58 | 70 Ų | 70 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -74.5 | -11.8 | 176 | 62 | 0 | 0 | 0 | 0 | 115 | R273 R279 | R273-S275 PolarHBondContact O-N 3.3Å; S275-R279 PolarHBondContact O-NE 3.22Å; S275-R279 PolarHBondContact O-NH2 2.74Å |
| 276 | S | 96.8 | Very high | 92 | Very high | 61 Ų | 61 | 75.2 Ų | 75.2 | 43% | 0.427 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -85.3 | -49 | 166.1 | -62.4 | 0 | 0 | 0 | 0 | 110 | R273 A274 L278 R279 Q280 | R273-S276 WeakPolarHBondContact O-CA 3.26Å; R273-S276 WeakPolarHBondContact O-CB 3.36Å; R273-S276 PolarHBondContact O-N 2.95Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.42Å; S276-L278 PolarHBondContact O-N 2.71Å; S276-R279 PolarHBondContact O-N 3.45Å; S276-Q280 PolarHBondContact O-N 2.98Å |
| 277 | C | 97.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | F149 F161 R273 A274 R279 Q280 I281 | F149-C277 HydrophobicContact CD1-CB 4.1Å; F149-C277 HydrophobicContact CE1-CB 3.56Å; F149-C277 HydrophobicContact CE2-CB 4.41Å; F149-C277 HydrophobicContact CZ-CB 3.76Å; F161-C277 HydrophobicContact CD1-CB 4.45Å; F161-C277 HydrophobicContact CE1-CB 3.43Å; F161-C277 VanDerWaalsContact CE1-CB 3.43Å; F161-C277 HydrophobicContact CE2-CB 4.36Å; F161-C277 HydrophobicContact CZ-CB 3.37Å; R273-C277 PolarHBondContact O-N 3.29Å; A274-C277 PolarHBondContact O-N 3.5Å; C277-R279 VanDerWaalsContact C-N 3.31Å; C277-R279 PolarHBondContact O-N 3.06Å; C277-Q280 WeakPolarHBondContact O-CB 3.47Å; C277-Q280 PolarHBondContact O-N 2.92Å; C277-Q280 VanDerWaalsContact O-N 3.13Å; C277-I281 WeakPolarHBondContact O-CG1 3.24Å; C277-I281 PolarHBondContact O-N 2.88Å |
| 278 | L | 98.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 174.2 | -78.1 | 168.7 | 0 | 0 | 0 | 112.9 | F161 E164 A274 S276 F282 | F161-L278 HydrophobicContact CD1-CD2 3.86Å; F161-L278 HydrophobicContact CD1-CG 3.89Å; F161-L278 HydrophobicContact CE1-CG 4.23Å; E164-L278 HydrophobicContact CB-CD2 3.76Å; E164-L278 HydrophobicContact CG-CD1 4.1Å; E164-L278 HydrophobicContact CG-CD2 3.9Å; A274-L278 VanDerWaalsContact O-CB 3.31Å; A274-L278 WeakPolarHBondContact O-CB 3.23Å; A274-L278 VanDerWaalsContact O-CG 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.41Å; A274-L278 PolarHBondContact O-N 2.94Å; S276-L278 PolarHBondContact O-N 2.71Å; L278-F282 HydrophobicContact CD2-CE2 4.06Å; L278-F282 WeakPolarHBondContact O-CD2 3.4Å; L278-F282 PolarHBondContact O-N 3.48Å |
| 279 | R | 98.2 | Very high | 94.2 | Very high | 173 Ų | 173 | 73.1 Ų | 73.1 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.8 | -35.9 | 176.5 | -85.5 | -179.1 | -75.5 | -177 | -1.2 | 111.8 | S275 S276 C277 R283 | S275-R279 PolarHBondContact O-NE 3.22Å; S275-R279 PolarHBondContact O-NH2 2.74Å; S276-R279 PolarHBondContact O-N 3.45Å; C277-R279 VanDerWaalsContact C-N 3.31Å; C277-R279 PolarHBondContact O-N 3.06Å; R279-R283 WeakPolarHBondContact O-CB 3.45Å; R279-R283 PolarHBondContact O-N 2.94Å |
| 280 | Q | 97.8 | Very high | 95 | Very high | 67 Ų | 67 | 65.5 Ų | 65.5 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -49.7 | 172.9 | -169.3 | -179.2 | -12.9 | 0 | 0 | 111.3 | V147 V148 F149 S276 C277 F282 R283 T284 | V147-Q280 HydrophobicContact CG1-CG 4.02Å; V148-Q280 PolarHBondContact O-NE2 2.97Å; F149-Q280 HydrophobicContact CE1-CB 4.44Å; S276-Q280 PolarHBondContact O-N 2.98Å; C277-Q280 WeakPolarHBondContact O-CB 3.47Å; C277-Q280 PolarHBondContact O-N 2.92Å; C277-Q280 VanDerWaalsContact O-N 3.13Å; Q280-F282 PolarHBondContact O-N 2.79Å; Q280-R283 PolarHBondContact O-N 2.85Å; Q280-R283 VanDerWaalsContact O-N 3.16Å; Q280-T284 PolarHBondContact O-N 3.41Å; Q280-T284 PolarHBondContact O-OG1 3.22Å; Q280-T284 VanDerWaalsContact O-OG1 3.11Å |
| 281 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -49.6 | -55.4 | 174.6 | -69.6 | 165.7 | 0 | 0 | 0 | 110.3 | V147 F149 F161 I165 C277 R283 T284 L285 L336 | V147-I281 HydrophobicContact CG1-CG1 4.16Å; F149-I281 HydrophobicContact CE1-CG1 4.24Å; F149-I281 HydrophobicContact CZ-CD1 3.93Å; F149-I281 HydrophobicContact CZ-CG1 3.86Å; F161-I281 HydrophobicContact CB-CD1 3.87Å; F161-I281 HydrophobicContact CD1-CD1 3.78Å; F161-I281 HydrophobicContact CD2-CD1 4.25Å; F161-I281 HydrophobicContact CE1-CD1 4.46Å; F161-I281 HydrophobicContact CG-CD1 3.68Å; I165-I281 HydrophobicContact CD1-CG2 4.08Å; I165-I281 HydrophobicContact CG1-CG2 4.15Å; C277-I281 WeakPolarHBondContact O-CG1 3.24Å; C277-I281 PolarHBondContact O-N 2.88Å; I281-R283 PolarHBondContact O-N 3.33Å; I281-T284 PolarHBondContact O-N 2.64Å; I281-L285 HydrophobicContact CG2-CD1 3.63Å; I281-L285 HydrophobicContact CG2-CG 4.25Å; I281-L285 WeakPolarHBondContact O-CB 3.36Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.18Å; I281-L285 PolarHBondContact O-N 2.93Å; I281-L336 HydrophobicContact CD1-CD1 4.1Å; I281-L336 HydrophobicContact CD1-CD2 4.09Å; I281-L336 HydrophobicContact CG1-CD2 3.88Å |
| 282 | F | 97.7 | Very high | 95 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.7 | -24.7 | -176.6 | -69.9 | -56 | 0 | 0 | 0 | 114 | E164 C168 L278 Q280 L285 F286 | E164-F282 HydrophobicContact CB-CE2 3.87Å; E164-F282 HydrophobicContact CB-CZ 3.84Å; C168-F282 HydrophobicContact CB-CE1 3.64Å; C168-F282 HydrophobicContact CB-CZ 4.05Å; L278-F282 HydrophobicContact CD2-CE2 4.06Å; L278-F282 WeakPolarHBondContact O-CD2 3.4Å; L278-F282 PolarHBondContact O-N 3.48Å; Q280-F282 PolarHBondContact O-N 2.79Å; F282-L285 HydrophobicContact CD1-CD1 4.09Å; F282-L285 HydrophobicContact CE1-CD1 4.26Å; F282-F286 WeakPolarHBondContact O-CB 3.32Å; F282-F286 PolarHBondContact O-N 3.29Å |
| 283 | R | 97 | Very high | 94.1 | Very high | 129 Ų | 129 | 58.5 Ų | 58.5 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.8 | -52 | 168.3 | -164.7 | -163 | 99.8 | 176.2 | 9.9 | 110.2 | D132 R279 Q280 I281 F286 V287 | D132-R283 IonicContact OD1-NH2 3.39Å; D132-R283 PolarHBondContact OD1-NH2 3.25Å; D132-R283 VanDerWaalsContact OD1-NH2 3.15Å; D132-R283 IonicContact OD2-NH2 2.67Å; R279-R283 WeakPolarHBondContact O-CB 3.45Å; R279-R283 PolarHBondContact O-N 2.94Å; Q280-R283 PolarHBondContact O-N 2.85Å; Q280-R283 VanDerWaalsContact O-N 3.16Å; I281-R283 PolarHBondContact O-N 3.33Å; R283-F286 PolarHBondContact O-N 3.45Å; R283-V287 WeakPolarHBondContact O-CG2 3.41Å; R283-V287 PolarHBondContact O-N 3.13Å |
| 284 | T | 96.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | -178 | -46.1 | 0 | 0 | 0 | 0 | 111.6 | V135 V145 V147 Q280 I281 F286 V287 A288 | V135-T284 HydrophobicContact CG1-CG2 3.75Å; V135-T284 HydrophobicContact CG2-CG2 4.16Å; V145-T284 HydrophobicContact CG1-CG2 3.47Å; V145-T284 VanDerWaalsContact CG1-CG2 3.47Å; V147-T284 HydrophobicContact CG2-CG2 4.41Å; Q280-T284 PolarHBondContact O-N 3.41Å; Q280-T284 PolarHBondContact O-OG1 3.22Å; Q280-T284 VanDerWaalsContact O-OG1 3.11Å; I281-T284 PolarHBondContact O-N 2.64Å; T284-F286 VanDerWaalsContact C-N 3.31Å; T284-F286 PolarHBondContact O-N 3.03Å; T284-V287 PolarHBondContact O-N 3.24Å; T284-A288 WeakPolarHBondContact O-CB 2.95Å; T284-A288 PolarHBondContact O-N 3.15Å |
| 285 | L | 96 | Very high | 91.3 | Very high | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -30.8 | 175.5 | -69.7 | 176.3 | 0 | 0 | 0 | 113.7 | V145 I281 F282 D289 L290 I334 | V145-L285 HydrophobicContact CB-CD2 4.4Å; V145-L285 HydrophobicContact CG1-CD2 4.32Å; I281-L285 HydrophobicContact CG2-CD1 3.63Å; I281-L285 HydrophobicContact CG2-CG 4.25Å; I281-L285 WeakPolarHBondContact O-CB 3.36Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.18Å; I281-L285 PolarHBondContact O-N 2.93Å; F282-L285 HydrophobicContact CD1-CD1 4.09Å; F282-L285 HydrophobicContact CE1-CD1 4.26Å; L285-D289 PolarHBondContact O-N 2.92Å; L285-L290 HydrophobicContact CD2-CB 4.39Å; L285-L290 HydrophobicContact CD2-CD2 3.88Å; L285-I334 HydrophobicContact CD1-CD1 4.05Å; L285-I334 HydrophobicContact CD2-CD1 3.79Å; L285-I334 HydrophobicContact CD2-CG1 3.87Å; L285-I334 HydrophobicContact CD2-CG2 4.21Å |
| 286 | F | 94.9 | Very high | 89.8 | Confident | 175 Ų | 175 | 64 Ų | 64 | 77% | 0.768 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -73.6 | -47.3 | 175.1 | 176.3 | -96.5 | 0 | 0 | 0 | 111.5 | F282 R283 T284 A288 D289 | F282-F286 WeakPolarHBondContact O-CB 3.32Å; F282-F286 PolarHBondContact O-N 3.29Å; R283-F286 PolarHBondContact O-N 3.45Å; T284-F286 VanDerWaalsContact C-N 3.31Å; T284-F286 PolarHBondContact O-N 3.03Å; F286-A288 VanDerWaalsContact C-N 3.33Å; F286-A288 PolarHBondContact O-N 3.4Å; F286-D289 PolarHBondContact O-N 3.17Å |
| 287 | V | 95.3 | Very high | 88.5 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 174 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | D132 V135 V136 R283 T284 D289 | D132-V287 HydrophobicContact CB-CG1 3.62Å; V135-V287 HydrophobicContact CB-CG1 4.5Å; V135-V287 HydrophobicContact CG1-CG1 4.13Å; V136-V287 HydrophobicContact CG2-CG1 4.16Å; V136-V287 WeakPolarHBondContact CG2-O 3.48Å; R283-V287 WeakPolarHBondContact O-CG2 3.41Å; R283-V287 PolarHBondContact O-N 3.13Å; T284-V287 PolarHBondContact O-N 3.24Å; V287-D289 PolarHBondContact O-N 3.46Å |
| 288 | A | 93.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V135 A139 V145 T284 F286 L290 | V135-A288 HydrophobicContact CG1-CB 3.75Å; A139-A288 HydrophobicContact CB-CB 3.67Å; A139-A288 VanDerWaalsContact CB-O 3.3Å; A139-A288 WeakPolarHBondContact CB-O 3.42Å; V145-A288 HydrophobicContact CG2-CB 3.35Å; T284-A288 WeakPolarHBondContact O-CB 2.95Å; T284-A288 PolarHBondContact O-N 3.15Å; F286-A288 VanDerWaalsContact C-N 3.33Å; F286-A288 PolarHBondContact O-N 3.4Å; A288-L290 HydrophobicContact CB-CB 4.12Å; A288-L290 PolarHBondContact O-N 2.97Å |
| 289 | D | 92.3 | Very high | 87.4 | Confident | 96 Ų | 96 | 74.1 Ų | 74.1 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 19.4 | -167.6 | -159.1 | 38.1 | 0 | 0 | 0 | 114.4 | L285 F286 V287 L291 S292 | L285-D289 PolarHBondContact O-N 2.92Å; F286-D289 PolarHBondContact O-N 3.17Å; V287-D289 PolarHBondContact O-N 3.46Å; D289-L291 PolarHBondContact O-N 2.74Å; D289-S292 VanDerWaalsContact CG-CB 3.43Å; D289-S292 WeakPolarHBondContact O-CB 3.48Å; D289-S292 PolarHBondContact O-N 3.33Å; D289-S292 WeakPolarHBondContact OD1-CB 3.36Å; D289-S292 PolarHBondContact OD1-OG 3.17Å; D289-S292 VanDerWaalsContact OD2-CB 3.31Å; D289-S292 WeakPolarHBondContact OD2-CB 3.32Å |
| 290 | L | 91.3 | Very high | 87.1 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.9 | -165 | -177 | 71.4 | 0 | 0 | 0 | 113 | A139 V145 L285 A288 K332 I334 | A139-L290 HydrophobicContact CB-CB 4.48Å; A139-L290 HydrophobicContact CB-CD1 4.1Å; V145-L290 HydrophobicContact CB-CD2 4.17Å; V145-L290 HydrophobicContact CG2-CB 4.02Å; V145-L290 HydrophobicContact CG2-CD1 4.32Å; V145-L290 HydrophobicContact CG2-CD2 3.79Å; V145-L290 HydrophobicContact CG2-CG 4.24Å; L285-L290 HydrophobicContact CD2-CB 4.39Å; L285-L290 HydrophobicContact CD2-CD2 3.88Å; A288-L290 HydrophobicContact CB-CB 4.12Å; A288-L290 PolarHBondContact O-N 2.97Å; L290-K332 HydrophobicContact CD1-CB 4.39Å; L290-K332 HydrophobicContact CD1-CG 4.2Å; L290-K332 HydrophobicContact CG-CB 4.43Å; L290-K332 VanDerWaalsContact O-CD 3.3Å; L290-K332 WeakPolarHBondContact O-CD 3.35Å; L290-K332 WeakPolarHBondContact O-CE 3.34Å; L290-K332 PolarHBondContact O-NZ 3.32Å; L290-I334 HydrophobicContact CD2-CG1 3.87Å |
| 291 | L | 89.4 | Confident | 87 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 6% | 0.063 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.4 | -176.9 | -57.7 | -169.9 | 0 | 0 | 0 | 113.6 | C168 I169 Q172 R173 Y256 D289 | C168-L291 HydrophobicContact CB-CD1 4.47Å; I169-L291 HydrophobicContact CD1-CD2 4.35Å; I169-L291 HydrophobicContact CG1-CD1 3.9Å; I169-L291 HydrophobicContact CG1-CD2 3.81Å; Q172-L291 HydrophobicContact CB-CB 4.13Å; Q172-L291 HydrophobicContact CG-CB 4.23Å; Q172-L291 HydrophobicContact CG-CD1 4.37Å; R173-L291 WeakPolarHBondContact CD-O 3.39Å; Y256-L291 HydrophobicContact CD1-CD2 3.95Å; Y256-L291 HydrophobicContact CE1-CD2 3.78Å; D289-L291 PolarHBondContact O-N 2.74Å |
| 292 | S | 82.4 | Confident | 86.9 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | trans | -69 | 153.9 | 172.7 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | D289 K332 | D289-S292 VanDerWaalsContact CG-CB 3.43Å; D289-S292 WeakPolarHBondContact O-CB 3.48Å; D289-S292 PolarHBondContact O-N 3.33Å; D289-S292 WeakPolarHBondContact OD1-CB 3.36Å; D289-S292 PolarHBondContact OD1-OG 3.17Å; D289-S292 VanDerWaalsContact OD2-CB 3.31Å; D289-S292 WeakPolarHBondContact OD2-CB 3.32Å; S292-K332 PolarHBondContact O-NZ 2.91Å | ||
| 293 | D | 75.2 | Confident | 86.9 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | trans | -166.9 | 130.8 | 171.5 | 160.2 | 39 | 0 | 0 | 0 | 108.4 | R173 N295 | R173-D293 IonicContact CZ-OD2 2.69Å; R173-D293 IonicContact NH1-OD2 2.77Å; R173-D293 IonicContact NH2-OD2 2.9Å; R173-D293 PolarHBondContact NH2-OD2 3.26Å; D293-N295 VanDerWaalsContact C-N 3.28Å; D293-N295 PolarHBondContact O-N 2.74Å; D293-N295 PolarHBondContact OD1-N 3.25Å; D293-N295 PolarHBondContact OD1-ND2 2.89Å; D293-N295 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 294 | N | 62.9 | Low | 87 | Confident | 168 Ų | 168 | 58.4 Ų | 58.4 | 90% | 0.898 | 31% | 0.308 | S | S | * | . | trans | -81 | -4 | -174.7 | -63.8 | -31.3 | 0 | 0 | 0 | 113.3 | ||||
| 295 | N | 68.4 | Low | 87.1 | Confident | 109 Ų | 109 | 57.8 Ų | 57.8 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -67.2 | 143.8 | 174.5 | -73.5 | -79.9 | 0 | 0 | 0 | 111.6 | D293 V297 | D293-N295 VanDerWaalsContact C-N 3.28Å; D293-N295 PolarHBondContact O-N 2.74Å; D293-N295 PolarHBondContact OD1-N 3.25Å; D293-N295 PolarHBondContact OD1-ND2 2.89Å; D293-N295 WeakPolarHBondContact OD2-CB 3.39Å; N295-V297 PolarHBondContact O-N 3.01Å |
| 296 | P | 64.4 | Low | 87.2 | Confident | 105 Ų | 105 | 57.4 Ų | 57.4 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | trans | -65.8 | 103.1 | 179.8 | 26.7 | -34.4 | 0 | 0 | 0 | 110.5 | ||||
| 297 | V | 69.6 | Low | 87.3 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 22% | 0.218 | 27% | 0.269 | C | S | . | . | trans | -61.3 | 135.2 | -173.4 | -171 | 0 | 0 | 0 | 0 | 110.4 | R173 Q174 N295 | R173-V297 WeakPolarHBondContact O-CG1 3.43Å; Q174-V297 HydrophobicContact CB-CB 4.25Å; Q174-V297 HydrophobicContact CB-CG1 3.83Å; Q174-V297 HydrophobicContact CG-CB 4.27Å; Q174-V297 HydrophobicContact CG-CG1 4.24Å; Q174-V297 HydrophobicContact CG-CG2 4.24Å; N295-V297 PolarHBondContact O-N 3.01Å | ||
| 298 | R | 83.4 | Confident | 87.4 | Confident | 177 Ų | 177 | 48.1 Ų | 48.1 | 67% | 0.668 | 26% | 0.259 | S | S | * | . | trans | -116.9 | 150.7 | 174.7 | -56.1 | -171.8 | -168 | -173.1 | 3.9 | 108.9 | Q175 M300 | Q175-R298 PolarHBondContact NE2-O 3.48Å; R298-M300 WeakPolarHBondContact O-CG 3.48Å; R298-M300 PolarHBondContact O-N 3.27Å | ||
| 299 | L | 90.7 | Very high | 87.6 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | trans | -62 | 128.2 | 168.6 | -61.1 | -179.5 | 0 | 0 | 0 | 109.5 | Q174 T364 | Q174-L299 WeakPolarHBondContact O-CD2 3.22Å; L299-T364 HydrophobicContact CD1-CG2 4.29Å; L299-T364 HydrophobicContact CD2-CG2 4.07Å; L299-T364 HydrophobicContact CG-CG2 4.43Å | ||
| 300 | M | 92.5 | Very high | 87.8 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | trans | -140.7 | 135.8 | -172.7 | -72 | -171.8 | -65.6 | 0 | 0 | 110.1 | Q175 M245 K253 E254 R298 T302 | Q175-M300 PolarHBondContact OE1-O 3.42Å; Q175-M300 VanDerWaalsContact OE1-O 3.09Å; M245-M300 HydrophobicContact CB-CE 4.24Å; K253-M300 HydrophobicContact CB-SD 3.97Å; K253-M300 HydrophobicContact CD-SD 3.42Å; K253-M300 WeakPolarHBondContact CD-SD 3.45Å; K253-M300 HydrophobicContact CG-SD 4.33Å; E254-M300 WeakPolarHBondContact OE1-CE 3.33Å; R298-M300 WeakPolarHBondContact O-CG 3.48Å; R298-M300 PolarHBondContact O-N 3.27Å; M300-T302 PolarHBondContact O-N 3.47Å | ||
| 301 | P | 94.6 | Very high | 88 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 128.5 | 171.2 | 28.5 | -33.4 | 0 | 0 | 0 | 109.4 | G246 A359 I360 | G246-P301 PolarHBondContact N-O 2.9Å; P301-A359 HydrophobicContact CB-CB 4.09Å; P301-I360 CarbonylContact C-O 3.47Å; P301-I360 WeakPolarHBondContact CA-O 3.44Å |
| 302 | T | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 116.3 | 178.5 | -57.8 | 0 | 0 | 0 | 0 | 109.4 | L170 L243 L244 M245 M300 A359 I360 | L170-T302 HydrophobicContact CD2-CG2 4.1Å; L243-T302 HydrophobicContact CB-CG2 4.35Å; L244-T302 WeakPolarHBondContact O-CA 3.21Å; M245-T302 HydrophobicContact CG-CG2 4.06Å; M300-T302 PolarHBondContact O-N 3.47Å; T302-A359 CarbonylContact O-C 3.57Å; T302-A359 VanDerWaalsContact O-CA 3.31Å; T302-A359 WeakPolarHBondContact O-CA 3.33Å; T302-I360 PolarHBondContact N-O 2.65Å; T302-I360 PolarHBondContact O-N 3.46Å |
| 303 | T | 97.4 | Very high | 88.8 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.8 | 177.7 | -50.4 | 0 | 0 | 0 | 0 | 109.3 | L244 L249 L305 Q355 A359 | L244-T303 PolarHBondContact N-O 3.47Å; L244-T303 PolarHBondContact O-N 3.38Å; L249-T303 HydrophobicContact CD2-CG2 4.11Å; T303-L305 HydrophobicContact CG2-CD1 4.31Å; T303-Q355 HydrophobicContact CG2-CG 3.65Å; T303-A359 WeakPolarHBondContact OG1-CB 3.38Å |
| 304 | V | 98.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 137.7 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | L166 L225 L229 V241 L242 L243 A356 | L166-V304 HydrophobicContact CD1-CG2 4.12Å; L225-V304 HydrophobicContact CD1-CB 4.26Å; L225-V304 HydrophobicContact CD2-CB 4.36Å; L225-V304 HydrophobicContact CD2-CG2 3.82Å; L229-V304 HydrophobicContact CD2-CG1 4.34Å; V241-V304 HydrophobicContact CG1-CG1 3.9Å; L242-V304 WeakPolarHBondContact O-CA 3.35Å; L243-V304 HydrophobicContact CG-CG2 4.33Å; V304-A356 PolarHBondContact O-N 3.37Å |
| 305 | L | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143 | 167.2 | -58.2 | 88.9 | 0 | 0 | 0 | 109.6 | V241 L242 L244 L249 T303 F323 W353 F354 Q355 | V241-L305 CarbonylContact C-O 3.6Å; V241-L305 WeakPolarHBondContact CA-O 3.41Å; V241-L305 WeakPolarHBondContact CG1-O 3.09Å; L242-L305 HydrophobicContact CB-CB 4.41Å; L242-L305 PolarHBondContact N-O 3.48Å; L242-L305 PolarHBondContact O-N 2.94Å; L244-L305 HydrophobicContact CD1-CD1 3.54Å; L244-L305 HydrophobicContact CG-CD1 3.7Å; L249-L305 HydrophobicContact CD2-CD1 4.34Å; T303-L305 HydrophobicContact CG2-CD1 4.31Å; L305-F323 HydrophobicContact CD2-CD1 4.21Å; L305-F323 HydrophobicContact CD2-CD2 4.12Å; L305-F323 HydrophobicContact CD2-CE1 4.09Å; L305-F323 HydrophobicContact CD2-CE2 4.01Å; L305-F323 HydrophobicContact CD2-CG 4.22Å; L305-F323 HydrophobicContact CD2-CZ 4Å; L305-W353 HydrophobicContact CB-CE3 3.89Å; L305-W353 HydrophobicContact CB-CZ3 4.38Å; L305-F354 CarbonylContact C-O 3.53Å; L305-F354 VanDerWaalsContact CA-O 3.22Å; L305-F354 WeakPolarHBondContact CA-O 3.27Å; L305-Q355 HydrophobicContact CD1-CG 4.39Å; L305-Q355 HydrophobicContact CD2-CB 4.01Å; L305-Q355 HydrophobicContact CD2-CG 4.14Å; L305-Q355 HydrophobicContact CG-CB 3.99Å; L305-Q355 HydrophobicContact CG-CG 3.87Å |
| 306 | A | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L232 V238 V241 F354 | L232-A306 HydrophobicContact CD2-CB 3.56Å; V238-A306 HydrophobicContact CG1-CB 4.01Å; V241-A306 HydrophobicContact CG2-CB 4.12Å; A306-F354 PolarHBondContact N-O 2.93Å; A306-F354 PolarHBondContact O-N 2.78Å |
| 307 | L | 98.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 119.2 | 173.9 | -177.2 | 57.9 | 0 | 0 | 0 | 108 | V238 P239 R240 W353 | V238-L307 WeakPolarHBondContact CA-O 3.35Å; P239-L307 VanDerWaalsContact CD-O 3.3Å; P239-L307 WeakPolarHBondContact CD-O 3.36Å; P239-L307 HydrophobicContact CG-CB 4.13Å; P239-L307 HydrophobicContact CG-CD2 3.86Å; P239-L307 HydrophobicContact CG-CG 3.84Å; R240-L307 HydrophobicContact CB-CB 4.24Å; R240-L307 HydrophobicContact CB-CD2 4.39Å; R240-L307 PolarHBondContact O-N 3.05Å; L307-W353 HydrophobicContact CB-CD2 4.14Å; L307-W353 HydrophobicContact CB-CE3 3.96Å; L307-W353 HydrophobicContact CB-CH2 3.92Å; L307-W353 HydrophobicContact CB-CZ2 4.08Å; L307-W353 HydrophobicContact CB-CZ3 3.85Å; L307-W353 HydrophobicContact CD1-CD2 4.24Å; L307-W353 HydrophobicContact CD1-CG 4.31Å; L307-W353 HydrophobicContact CD2-CZ2 4.15Å |
| 308 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 162.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L232 V238 R310 Y351 V352 F354 | L232-A308 HydrophobicContact CD1-CB 3.82Å; L232-A308 HydrophobicContact CG-CB 4.49Å; V238-A308 HydrophobicContact CG2-CB 4.48Å; A308-R310 PolarHBondContact O-N 2.88Å; A308-Y351 CarbonylContact O-C 3.59Å; A308-Y351 WeakPolarHBondContact O-CA 3.3Å; A308-V352 PolarHBondContact N-O 2.78Å; A308-V352 VanDerWaalsContact N-O 3.16Å; A308-V352 PolarHBondContact O-N 3.36Å; A308-F354 HydrophobicContact CB-CD2 3.85Å; A308-F354 HydrophobicContact CB-CE2 4.12Å |
| 309 | H | 97 | Very high | 96.3 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 26% | 0.255 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 134.1 | -177.3 | -173.6 | -111.1 | 0 | 0 | 0 | 111.3 | S236 E311 C312 Y351 | S236-H309 PolarHBondContact OG-N 3.22Å; S236-H309 VanDerWaalsContact OG-N 3.08Å; H309-E311 PolarHBondContact O-N 3.48Å; H309-C312 WeakPolarHBondContact O-CB 3.38Å; H309-C312 PolarHBondContact O-N 3.16Å; H309-C312 PolarHBondContact O-SG 2.73Å; H309-Y351 HydrophobicContact CB-CE1 4.26Å; H309-Y351 HydrophobicContact CB-CE2 4.28Å |
| 310 | R | 96 | Very high | 96.6 | Very high | 118 Ų | 118 | 42 Ų | 42 | 45% | 0.445 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.6 | -171.9 | 68.2 | 171.7 | -171.5 | -103.2 | -35 | 114.5 | A308 D350 V352 | A308-R310 PolarHBondContact O-N 2.88Å; R310-D350 WeakPolarHBondContact CB-O 3.41Å; R310-D350 WeakPolarHBondContact CG-O 3.36Å; R310-D350 VanDerWaalsContact CZ-CG 3.48Å; R310-D350 IonicContact CZ-OD1 3.69Å; R310-D350 IonicContact CZ-OD2 3.36Å; R310-D350 PolarHBondContact N-O 3.46Å; R310-D350 IonicContact NH1-OD1 3.49Å; R310-D350 PolarHBondContact NH1-OD1 3.12Å; R310-D350 IonicContact NH1-OD2 2.68Å; R310-D350 PolarHBondContact NH1-OD2 2.79Å; R310-D350 IonicContact NH2-OD1 3.32Å; R310-D350 IonicContact NH2-OD2 2.83Å; R310-D350 PolarHBondContact NH2-OD2 3.06Å; R310-V352 HydrophobicContact CB-CG1 4.1Å; R310-V352 HydrophobicContact CB-CG2 4.01Å |
| 311 | E | 95.2 | Very high | 96.6 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.603 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.6 | -177.8 | -77.6 | 152.9 | -123 | 0 | 0 | 113.6 | H309 G313 | H309-E311 PolarHBondContact O-N 3.48Å; E311-G313 PolarHBondContact O-N 3.45Å |
| 312 | C | 95.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -62.7 | -11.3 | 179.5 | 65.5 | 0 | 0 | 0 | 0 | 115.4 | L235 H309 V314 | L235-C312 HydrophobicContact CB-CB 4.32Å; H309-C312 WeakPolarHBondContact O-CB 3.38Å; H309-C312 PolarHBondContact O-N 3.16Å; H309-C312 PolarHBondContact O-SG 2.73Å; C312-V314 VanDerWaalsContact C-N 3.33Å; C312-V314 PolarHBondContact O-N 2.88Å |
| 313 | G | 94.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 68% | 0.68 | 29% | 0.291 | S | S | * | . | trans | 77.5 | 7.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | E311 G315 | E311-G313 PolarHBondContact O-N 3.45Å; G313-G315 PolarHBondContact O-N 3.21Å | ||
| 314 | V | 95 | Very high | 96.4 | Very high | 14 Ų | 14 | 63 Ų | 63 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | trans | -59.2 | 122 | 178.3 | 68.6 | 0 | 0 | 0 | 0 | 112 | M231 L232 L235 C312 F317 F354 | M231-V314 HydrophobicContact CE-CG2 3.95Å; M231-V314 HydrophobicContact SD-CG2 4.13Å; L232-V314 HydrophobicContact CB-CG2 4.37Å; L232-V314 HydrophobicContact CD1-CB 3.91Å; L232-V314 HydrophobicContact CD1-CG1 3.88Å; L232-V314 HydrophobicContact CD1-CG2 4.03Å; L235-V314 HydrophobicContact CD1-CB 4.43Å; C312-V314 VanDerWaalsContact C-N 3.33Å; C312-V314 PolarHBondContact O-N 2.88Å; V314-F317 HydrophobicContact CG1-CB 4.28Å; V314-F317 HydrophobicContact CG2-CB 4.21Å; V314-F317 HydrophobicContact CG2-CD2 3.95Å; V314-F354 HydrophobicContact CG1-CD1 3.47Å; V314-F354 VanDerWaalsContact CG1-CD1 3.47Å; V314-F354 HydrophobicContact CG1-CE1 3.35Å; V314-F354 HydrophobicContact CG1-CG 4.15Å; V314-F354 HydrophobicContact CG1-CZ 3.93Å | ||
| 315 | G | 94.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 64.7 Ų | 64.7 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -92.4 | -25 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | G313 R318 | G313-G315 PolarHBondContact O-N 3.21Å; G315-R318 PolarHBondContact O-NH1 2.89Å |
| 316 | W | 97.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -86.2 | -50.7 | -173.2 | -173.5 | 92.1 | 0 | 0 | 0 | 112.6 | E224 L225 Q228 A356 P357 | E224-W316 HydrophobicContact CG-CZ2 3.91Å; E224-W316 PolarHBondContact OE1-NE1 3.43Å; L225-W316 HydrophobicContact CB-CH2 4.23Å; L225-W316 HydrophobicContact CD1-CH2 3.89Å; L225-W316 HydrophobicContact CD1-CZ3 3.88Å; Q228-W316 HydrophobicContact CB-CD2 3.82Å; Q228-W316 HydrophobicContact CB-CE3 3.55Å; Q228-W316 HydrophobicContact CB-CG 4.34Å; Q228-W316 HydrophobicContact CB-CH2 4.33Å; Q228-W316 HydrophobicContact CB-CZ3 3.82Å; Q228-W316 HydrophobicContact CG-CB 4.36Å; Q228-W316 HydrophobicContact CG-CD2 3.55Å; Q228-W316 HydrophobicContact CG-CE3 3.85Å; Q228-W316 HydrophobicContact CG-CG 3.79Å; Q228-W316 HydrophobicContact CG-CH2 4.43Å; Q228-W316 HydrophobicContact CG-CZ2 4.18Å; Q228-W316 HydrophobicContact CG-CZ3 4.27Å; W316-A356 HydrophobicContact CH2-CB 4.09Å; W316-A356 HydrophobicContact CZ3-CB 3.81Å; W316-P357 HydrophobicContact CD2-CG 3.79Å; W316-P357 VanDerWaalsContact CE3-CD 3.43Å; W316-P357 HydrophobicContact CE3-CG 4.12Å; W316-P357 HydrophobicContact CG-CG 4.37Å; W316-P357 HydrophobicContact CH2-CG 4.21Å; W316-P357 HydrophobicContact CZ2-CG 3.86Å; W316-P357 VanDerWaalsContact CZ3-CD 3.45Å; W316-P357 HydrophobicContact CZ3-CG 4.33Å |
| 317 | F | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -62.9 | 150.6 | 171.2 | -75.8 | -95.9 | 0 | 0 | 0 | 111.3 | L225 Q228 L229 L232 V314 F354 Q355 A356 | L225-F317 HydrophobicContact CD1-CZ 4.16Å; Q228-F317 HydrophobicContact CB-CE2 3.99Å; L229-F317 HydrophobicContact CD2-CE1 4.41Å; L229-F317 HydrophobicContact CD2-CE2 4.49Å; L229-F317 HydrophobicContact CD2-CZ 3.7Å; L229-F317 HydrophobicContact CG-CZ 4.02Å; L232-F317 HydrophobicContact CB-CD2 4.35Å; L232-F317 HydrophobicContact CB-CE2 4.19Å; L232-F317 HydrophobicContact CD2-CD1 4.46Å; L232-F317 HydrophobicContact CD2-CD2 4.06Å; L232-F317 HydrophobicContact CD2-CE1 4.45Å; L232-F317 HydrophobicContact CD2-CE2 4.04Å; L232-F317 HydrophobicContact CD2-CG 4.31Å; L232-F317 HydrophobicContact CD2-CZ 4.26Å; V314-F317 HydrophobicContact CG1-CB 4.28Å; V314-F317 HydrophobicContact CG2-CB 4.21Å; V314-F317 HydrophobicContact CG2-CD2 3.95Å; F317-F354 HydrophobicContact CB-CB 3.87Å; F317-F354 HydrophobicContact CB-CD1 4.03Å; F317-F354 HydrophobicContact CB-CG 4.39Å; F317-F354 HydrophobicContact CD1-CB 4.24Å; F317-F354 HydrophobicContact CG-CB 4.32Å; F317-Q355 WeakPolarHBondContact CA-O 3.25Å; F317-Q355 VanDerWaalsContact CD1-C 3.47Å; F317-A356 HydrophobicContact CD1-CB 4.42Å; F317-A356 HydrophobicContact CE1-CB 4.02Å |
| 318 | R | 97.8 | Very high | 95.3 | Very high | 135 Ų | 135 | 79.4 Ų | 79.4 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.9 | -178.9 | -57.7 | -53.2 | -173.5 | -158.4 | -1.2 | 110.6 | G315 Q355 P357 | G315-R318 PolarHBondContact O-NH1 2.89Å; R318-Q355 PolarHBondContact N-O 2.99Å; R318-Q355 PolarHBondContact O-N 2.7Å; R318-P357 HydrophobicContact CG-CB 4.5Å |
| 319 | P | 97.5 | Very high | 94.8 | Very high | 72 Ų | 72 | 80.8 Ų | 80.8 | 47% | 0.468 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 145.1 | 179.7 | 26 | -33.5 | 0 | 0 | 0 | 111.8 | V352 W353 F354 | P319-V352 HydrophobicContact CB-CG2 4.38Å; P319-W353 CarbonylContact C-O 3.56Å; P319-F354 HydrophobicContact CB-CD1 4.06Å; P319-F354 HydrophobicContact CB-CE1 3.76Å; P319-F354 HydrophobicContact CB-CZ 4.22Å; P319-F354 HydrophobicContact CG-CE1 4.18Å |
| 320 | K | 96.9 | Very high | 94.3 | Very high | 71 Ų | 71 | 83.9 Ų | 83.9 | 31% | 0.309 | 43% | 0.425 | S | S | . | . | trans | -129.9 | 68.9 | -175.3 | -59.3 | -63.3 | -177.6 | 163.3 | 0 | 110.6 | Q322 F323 W353 Q355 | K320-Q322 PolarHBondContact O-N 2.83Å; K320-F323 HydrophobicContact CB-CB 3.66Å; K320-F323 WeakPolarHBondContact O-CB 3.24Å; K320-F323 PolarHBondContact O-N 3.15Å; K320-W353 HydrophobicContact CB-CB 4.45Å; K320-W353 WeakPolarHBondContact CB-O 3.42Å; K320-W353 PolarHBondContact N-O 3.25Å; K320-Q355 HydrophobicContact CD-CB 4.46Å; K320-Q355 HydrophobicContact CG-CB 3.93Å | ||
| 321 | L | 93.6 | Very high | 94 | Very high | 141 Ų | 141 | 79.6 Ų | 79.6 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -17.2 | -177.7 | -51 | -179.1 | 0 | 0 | 0 | 115 | V352 | L321-V352 HydrophobicContact CD2-CB 4.06Å; L321-V352 HydrophobicContact CD2-CG1 3.71Å; L321-V352 HydrophobicContact CD2-CG2 4.25Å |
| 322 | Q | 93.9 | Very high | 94 | Very high | 187 Ų | 187 | 75.2 Ų | 75.2 | 87% | 0.874 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 0.6 | 179.9 | -62.8 | 179.6 | -5.7 | 0 | 0 | 113.8 | K320 | K320-Q322 PolarHBondContact O-N 2.83Š|
| 323 | F | 96.3 | Very high | 94.1 | Very high | 32 Ų | 32 | 76.7 Ų | 76.7 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | trans | -71.9 | 139.2 | 178.6 | 174.8 | -92.8 | 0 | 0 | 0 | 110.9 | L242 L244 L249 L305 K320 V325 W353 | L242-F323 HydrophobicContact CD1-CE1 3.8Å; L242-F323 HydrophobicContact CD1-CZ 3.98Å; L244-F323 HydrophobicContact CD1-CE2 4.18Å; L244-F323 HydrophobicContact CD1-CZ 4.24Å; L249-F323 HydrophobicContact CB-CD2 4.45Å; L249-F323 HydrophobicContact CB-CE2 4.26Å; L249-F323 WeakPolarHBondContact O-CE2 3.41Å; L305-F323 HydrophobicContact CD2-CD1 4.21Å; L305-F323 HydrophobicContact CD2-CD2 4.12Å; L305-F323 HydrophobicContact CD2-CE1 4.09Å; L305-F323 HydrophobicContact CD2-CE2 4.01Å; L305-F323 HydrophobicContact CD2-CG 4.22Å; L305-F323 HydrophobicContact CD2-CZ 4Å; K320-F323 HydrophobicContact CB-CB 3.66Å; K320-F323 WeakPolarHBondContact O-CB 3.24Å; K320-F323 PolarHBondContact O-N 3.15Å; F323-V325 HydrophobicContact CE1-CG2 4.35Å; F323-W353 HydrophobicContact CB-CB 4.43Å; F323-W353 HydrophobicContact CD1-CB 3.87Å; F323-W353 AromaticContact CD1-CD1 3.62Å; F323-W353 HydrophobicContact CD1-CD2 4.1Å; F323-W353 AromaticContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CE1-CD2 4.1Å; F323-W353 HydrophobicContact CE1-CG 4.06Å; F323-W353 HydrophobicContact CG-CB 4.48Å | ||
| 324 | K | 94.8 | Very high | 94.3 | Very high | 181 Ų | 181 | 73.5 Ų | 73.5 | 79% | 0.787 | 36% | 0.364 | S | S | * | . | trans | -129.3 | 139.4 | 172.4 | -62.2 | -172.8 | 178.5 | -172 | 0 | 107.8 | P326 | K324-P326 WeakPolarHBondContact O-CD 3.33Š| ||
| 325 | V | 95.2 | Very high | 94.4 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | trans | -59.4 | 126.8 | -178.7 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | L242 M255 F323 T327 W353 | L242-V325 HydrophobicContact CD1-CG1 4.21Å; L242-V325 HydrophobicContact CD1-CG2 4.12Å; L242-V325 HydrophobicContact CD2-CG1 4.35Å; M255-V325 HydrophobicContact CE-CG1 3.61Å; M255-V325 HydrophobicContact SD-CG1 4.08Å; F323-V325 HydrophobicContact CE1-CG2 4.35Å; V325-T327 PolarHBondContact O-N 2.77Å; V325-T327 VanDerWaalsContact O-N 3.17Å; V325-W353 HydrophobicContact CG2-CZ2 3.9Å | ||
| 326 | P | 94.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 7% | 0.071 | 34% | 0.343 | C | S | . | . | trans | -60.5 | 112 | -179.4 | -29.5 | 36.7 | 0 | 0 | 0 | 114.5 | L249 P252 M255 K324 | L249-P326 WeakPolarHBondContact O-CG 3.46Å; P252-P326 HydrophobicContact CG-CB 4.38Å; P252-P326 HydrophobicContact CG-CG 4.29Å; M255-P326 WeakPolarHBondContact CE-O 3.49Å; M255-P326 HydrophobicContact SD-CB 4.22Å; M255-P326 HydrophobicContact SD-CG 4.14Å; K324-P326 WeakPolarHBondContact O-CD 3.33Å | ||
| 327 | T | 91.1 | Very high | 94.5 | Very high | 138 Ų | 138 | 71.1 Ų | 71.1 | 85% | 0.847 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.3 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 115 | V325 | V325-T327 PolarHBondContact O-N 2.77Å; V325-T327 VanDerWaalsContact O-N 3.17Å |
| 328 | R | 88.8 | Confident | 94.3 | Very high | 174 Ų | 174 | 71.4 Ų | 71.4 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 13.6 | -173.7 | -61.9 | -178.1 | -62.4 | -178.8 | 1 | 114.1 | L251 | L251-R328 HydrophobicContact CD1-CB 4.16Š|
| 329 | V | 88.1 | Confident | 93.9 | Very high | 28 Ų | 28 | 71.1 Ų | 71.1 | 17% | 0.17 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -131 | 141.1 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 106.9 | L251 P252 N331 | L251-V329 HydrophobicContact CD1-CG2 3.87Å; P252-V329 HydrophobicContact CG-CG1 4.47Å; P252-V329 HydrophobicContact CG-CG2 4.07Å; P252-V329 WeakPolarHBondContact O-CG2 3.12Å; V329-N331 PolarHBondContact O-N 2.89Å |
| 330 | K | 86.6 | Confident | 92.8 | Very high | 120 Ų | 120 | 71.7 Ų | 71.7 | 52% | 0.522 | 37% | 0.369 | S | S | . | . | trans | -64 | 114.8 | 174.3 | -174.5 | 165.8 | -178.6 | 166.7 | 0 | 108 | Q140 E141 | Q140-K330 PolarHBondContact O-NZ 2.92Å; E141-K330 PolarHBondContact O-NZ 2.72Å | ||
| 331 | N | 90.3 | Very high | 91.1 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 143 | 175.8 | -162.6 | 6.8 | 0 | 0 | 0 | 108.8 | M255 E257 V329 I333 | M255-N331 HydrophobicContact CE-CB 3.81Å; M255-N331 PolarHBondContact O-OD1 3.47Å; E257-N331 PolarHBondContact OE2-ND2 2.96Å; V329-N331 PolarHBondContact O-N 2.89Å; N331-I333 HydrophobicContact CB-CD1 4.43Å; N331-I333 HydrophobicContact CB-CG1 4.08Å; N331-I333 VanDerWaalsContact ND2-CG1 3.35Å; N331-I333 WeakPolarHBondContact ND2-CG1 3.39Å |
| 332 | K | 94.9 | Very high | 89.2 | Confident | 36 Ų | 36 | 70 Ų | 70 | 16% | 0.157 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 98.1 | 170 | -77.4 | -178.5 | 169.3 | -167.1 | 0 | 108.5 | G143 M255 Y256 E257 L290 S292 | G143-K332 CarbonylContact O-C 3.4Å; G143-K332 VanDerWaalsContact O-CA 3.27Å; G143-K332 WeakPolarHBondContact O-CA 3.49Å; M255-K332 PolarHBondContact O-N 3.31Å; Y256-K332 WeakPolarHBondContact CA-O 3.42Å; Y256-K332 HydrophobicContact CD1-CB 3.63Å; Y256-K332 HydrophobicContact CD1-CD 4.01Å; Y256-K332 HydrophobicContact CD1-CG 4.44Å; Y256-K332 HydrophobicContact CE1-CB 3.89Å; Y256-K332 HydrophobicContact CE1-CD 3.32Å; Y256-K332 HydrophobicContact CE1-CG 4.21Å; Y256-K332 HydrophobicContact CG-CB 4.28Å; E257-K332 PolarHBondContact N-O 2.93Å; L290-K332 HydrophobicContact CD1-CB 4.39Å; L290-K332 HydrophobicContact CD1-CG 4.2Å; L290-K332 HydrophobicContact CG-CB 4.43Å; L290-K332 VanDerWaalsContact O-CD 3.3Å; L290-K332 WeakPolarHBondContact O-CD 3.35Å; L290-K332 WeakPolarHBondContact O-CE 3.34Å; L290-K332 PolarHBondContact O-NZ 3.32Å; S292-K332 PolarHBondContact O-NZ 2.91Å |
| 333 | I | 96.9 | Very high | 87.3 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.5 | -169.9 | -51.3 | 176.6 | 0 | 0 | 0 | 110.8 | G143 C144 V145 E257 N331 | G143-I333 PolarHBondContact O-N 3.37Å; C144-I333 CarbonylContact C-O 3.6Å; C144-I333 VanDerWaalsContact CA-O 3.22Å; C144-I333 WeakPolarHBondContact CA-O 3.44Å; C144-I333 HydrophobicContact CB-CB 3.79Å; V145-I333 PolarHBondContact N-O 3.37Å; E257-I333 HydrophobicContact CB-CG1 4.29Å; E257-I333 HydrophobicContact CB-CG2 4.49Å; E257-I333 CarbonylContact O-C 3.51Å; E257-I333 WeakPolarHBondContact O-CA 3.13Å; N331-I333 HydrophobicContact CB-CD1 4.43Å; N331-I333 HydrophobicContact CB-CG1 4.08Å; N331-I333 VanDerWaalsContact ND2-CG1 3.35Å; N331-I333 WeakPolarHBondContact ND2-CG1 3.39Å |
| 334 | I | 98.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 97.7 | 175.6 | -52.7 | 174.2 | 0 | 0 | 0 | 106.6 | V145 I165 E257 V258 N259 L285 L290 L336 | V145-I334 WeakPolarHBondContact O-CA 3.27Å; I165-I334 HydrophobicContact CD1-CG2 4.4Å; I165-I334 HydrophobicContact CG2-CD1 3.85Å; E257-I334 PolarHBondContact O-N 2.95Å; V258-I334 WeakPolarHBondContact CA-O 3.47Å; N259-I334 PolarHBondContact N-O 3.47Å; L285-I334 HydrophobicContact CD1-CD1 4.05Å; L285-I334 HydrophobicContact CD2-CD1 3.79Å; L285-I334 HydrophobicContact CD2-CG1 3.87Å; L285-I334 HydrophobicContact CD2-CG2 4.21Å; L290-I334 HydrophobicContact CD2-CG1 3.87Å; I334-L336 HydrophobicContact CG2-CD2 4.01Å |
| 335 | T | 97.9 | Very high | 83.4 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 123.8 | 178.7 | -37.1 | 0 | 0 | 0 | 0 | 109.3 | V145 D146 V147 | V145-T335 PolarHBondContact O-N 3.43Å; D146-T335 CarbonylContact C-O 3.48Å; D146-T335 WeakPolarHBondContact OD1-CB 3.46Å; D146-T335 PolarHBondContact OD1-OG1 2.85Å; V147-T335 PolarHBondContact N-O 2.92Å |
| 336 | L | 97.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.2 | 172.4 | -51.9 | -174.4 | 0 | 0 | 0 | 108.3 | V147 F149 F161 V258 N259 M260 L263 I281 I334 | V147-L336 HydrophobicContact CB-CD2 3.81Å; V147-L336 HydrophobicContact CG2-CD2 4.01Å; F149-L336 HydrophobicContact CE2-CB 4.22Å; F149-L336 HydrophobicContact CZ-CD2 4.38Å; F161-L336 HydrophobicContact CB-CD1 3.99Å; F161-L336 HydrophobicContact CD2-CD1 3.79Å; F161-L336 HydrophobicContact CG-CD1 4.22Å; V258-L336 HydrophobicContact CG1-CD1 4.04Å; V258-L336 HydrophobicContact CG1-CG 4.38Å; N259-L336 PolarHBondContact O-N 3.48Å; M260-L336 HydrophobicContact CG-CB 4.25Å; M260-L336 HydrophobicContact CG-CD1 3.99Å; M260-L336 HydrophobicContact CG-CG 4.39Å; M260-L336 HydrophobicContact SD-CD1 4.44Å; L263-L336 HydrophobicContact CD1-CB 4Å; L263-L336 HydrophobicContact CD2-CB 3.93Å; L263-L336 HydrophobicContact CG-CB 4.05Å; I281-L336 HydrophobicContact CD1-CD1 4.1Å; I281-L336 HydrophobicContact CD1-CD2 4.09Å; I281-L336 HydrophobicContact CG1-CD2 3.88Å; I334-L336 HydrophobicContact CG2-CD2 4.01Å |
| 337 | S | 95.9 | Very high | 81.3 | Confident | 22 Ų | 22 | 73.7 Ų | 73.7 | 15% | 0.154 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 165.6 | -175.8 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | V147 F149 A262 | V147-S337 PolarHBondContact O-N 2.91Å; V147-S337 PolarHBondContact O-OG 3.19Å; F149-S337 PolarHBondContact N-O 3.35Å; A262-S337 WeakPolarHBondContact O-CA 3.3Å |
| 338 | T | 94.3 | Very high | 81.2 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.043 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.5 | 174.4 | -60 | 0 | 0 | 0 | 0 | 111.1 | F149 G151 A262 A264 | F149-T338 WeakPolarHBondContact O-CA 3.4Å; G151-T338 VanDerWaalsContact O-CG2 3.32Å; G151-T338 WeakPolarHBondContact O-CG2 3.45Å; G151-T338 PolarHBondContact O-OG1 3.42Å; A262-T338 PolarHBondContact O-N 3.45Å; A262-T338 VanDerWaalsContact O-N 3.1Å; A264-T338 HydrophobicContact CB-CG2 3.88Å; A264-T338 PolarHBondContact N-OG1 3.12Å |
| 339 | E | 89.2 | Confident | 81.3 | Confident | 130 Ų | 130 | 67.5 Ų | 67.5 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 145.2 | 175.9 | -169.1 | 175.1 | -174.2 | 0 | 0 | 112.2 | V148 F149 H341 | V148-E339 HydrophobicContact CG1-CB 3.89Å; F149-E339 PolarHBondContact O-N 2.91Å; E339-H341 PolarHBondContact O-N 3.2Å |
| 340 | G | 73.9 | Confident | 81.6 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 86% | 0.856 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -24.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | G342 | G340-G342 PolarHBondContact O-N 3.09Š|
| 341 | H | 61.6 | Low | 82.1 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | trans | -84.1 | 95.3 | 172.9 | -75.3 | -88.7 | 0 | 0 | 0 | 110.7 | A264 E339 A343 | A264-H341 HydrophobicContact CB-CB 4.25Å; E339-H341 PolarHBondContact O-N 3.2Å; H341-A343 PolarHBondContact O-N 3.29Å | ||
| 342 | G | 54.3 | Low | 82.4 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | trans | -56.4 | 135.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | G340 E344 | G340-G342 PolarHBondContact O-N 3.09Å; G342-E344 PolarHBondContact O-N 3.36Å | ||
| 343 | A | 54.1 | Low | 82.6 | Confident | 75 Ų | 75 | 65 Ų | 65 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | trans | -63.3 | 102.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110 | H341 G345 | H341-A343 PolarHBondContact O-N 3.29Å; A343-G345 PolarHBondContact O-N 3.18Å; A343-G345 VanDerWaalsContact O-N 3.17Å | ||
| 344 | E | 53.3 | Low | 82.7 | Confident | 181 Ų | 181 | 63.1 Ų | 63.1 | 85% | 0.846 | 38% | 0.375 | S | S | * | . | trans | -56.8 | 120.1 | 163 | -65.5 | -168.2 | 158.7 | 0 | 0 | 106.6 | G342 E346 | G342-E344 PolarHBondContact O-N 3.36Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 2.78Å | ||
| 345 | G | 55.6 | Low | 82.7 | Confident | 77 Ų | 77 | 64.5 Ų | 64.5 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | trans | -69.8 | 84.4 | -161.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A343 D347 | A343-G345 PolarHBondContact O-N 3.18Å; A343-G345 VanDerWaalsContact O-N 3.17Å; G345-D347 PolarHBondContact O-N 3.17Å | ||
| 346 | E | 66.9 | Low | 82.7 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | trans | -61.9 | 126 | 169.6 | -76.5 | -171.6 | 171.7 | 0 | 0 | 109.9 | R237 E344 W348 | R237-E346 WeakPolarHBondContact CD-OE2 3.41Å; R237-E346 IonicContact CZ-OE1 2.8Å; R237-E346 IonicContact CZ-OE2 2.75Å; R237-E346 IonicContact NE-OE2 3.19Å; R237-E346 PolarHBondContact NE-OE2 3.21Å; R237-E346 IonicContact NH1-OE1 3.51Å; R237-E346 PolarHBondContact NH1-OE1 3.5Å; R237-E346 IonicContact NH1-OE2 3.56Å; R237-E346 PolarHBondContact NH1-OE2 2.9Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 2.78Å; E346-W348 HydrophobicContact CB-CH2 4.1Å; E346-W348 HydrophobicContact CB-CZ2 3.87Å; E346-W348 PolarHBondContact O-N 3.01Å; E346-W348 PolarHBondContact O-NE1 2.91Å; E346-W348 WeakPolarHBondContact OE2-CH2 3.41Å | ||
| 347 | D | 77.3 | Confident | 82.6 | Confident | 111 Ų | 111 | 66 Ų | 66 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | trans | -79.7 | 88.6 | -172.6 | -147.7 | 66.6 | 0 | 0 | 0 | 109.8 | G345 Q349 | G345-D347 PolarHBondContact O-N 3.17Å; D347-Q349 VanDerWaalsContact CG-CD 3.4Å; D347-Q349 PolarHBondContact O-N 2.89Å; D347-Q349 PolarHBondContact OD1-NE2 3.28Å; D347-Q349 WeakPolarHBondContact OD2-CB 3.48Å; D347-Q349 PolarHBondContact OD2-NE2 3.08Å | ||
| 348 | W | 89.8 | Confident | 82.5 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 19% | 0.193 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -67.1 | 4.7 | -179.1 | -54.6 | 117.4 | 0 | 0 | 0 | 114.2 | R237 P239 E261 E346 D350 Y351 | R237-W348 HydrophobicContact CG-CH2 4.25Å; R237-W348 HydrophobicContact CG-CZ3 4.42Å; P239-W348 HydrophobicContact CB-CD2 4.1Å; P239-W348 HydrophobicContact CB-CE3 3.96Å; P239-W348 HydrophobicContact CB-CH2 3.69Å; P239-W348 HydrophobicContact CB-CZ2 3.83Å; P239-W348 HydrophobicContact CB-CZ3 3.76Å; P239-W348 HydrophobicContact CG-CD2 4.05Å; P239-W348 HydrophobicContact CG-CE3 3.55Å; P239-W348 HydrophobicContact CG-CH2 4.03Å; P239-W348 HydrophobicContact CG-CZ2 4.48Å; P239-W348 HydrophobicContact CG-CZ3 3.55Å; E261-W348 HydrophobicContact CB-CZ2 4.33Å; E261-W348 HydrophobicContact CG-CZ2 4.18Å; E346-W348 HydrophobicContact CB-CH2 4.1Å; E346-W348 HydrophobicContact CB-CZ2 3.87Å; E346-W348 PolarHBondContact O-N 3.01Å; E346-W348 PolarHBondContact O-NE1 2.91Å; E346-W348 WeakPolarHBondContact OE2-CH2 3.41Å; W348-D350 VanDerWaalsContact C-N 3.27Å; W348-D350 PolarHBondContact O-N 3Å; W348-Y351 AromaticContact CE3-CD1 3.84Å; W348-Y351 HydrophobicContact CE3-CD1 3.84Å; W348-Y351 AromaticContact CE3-CD2 3.82Å; W348-Y351 HydrophobicContact CE3-CD2 3.82Å; W348-Y351 AromaticContact CE3-CE1 3.71Å; W348-Y351 HydrophobicContact CE3-CE1 3.71Å; W348-Y351 AromaticContact CE3-CE2 3.68Å; W348-Y351 HydrophobicContact CE3-CE2 3.68Å; W348-Y351 AromaticContact CE3-CG 3.93Å; W348-Y351 HydrophobicContact CE3-CG 3.93Å; W348-Y351 AromaticContact CE3-CZ 3.64Å; W348-Y351 HydrophobicContact CZ3-CD1 4.17Å; W348-Y351 AromaticContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE2 4.03Å; W348-Y351 AromaticContact CZ3-CZ 3.53Å; W348-Y351 VanDerWaalsContact O-CB 3.3Å; W348-Y351 WeakPolarHBondContact O-CB 3.35Å; W348-Y351 PolarHBondContact O-N 3.49Å |
| 349 | Q | 90.3 | Very high | 82.5 | Confident | 132 Ų | 132 | 68.4 Ų | 68.4 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -61.2 | -32.5 | -175.4 | -81.5 | 76.2 | -59.6 | 0 | 0 | 113.2 | D347 Y351 | D347-Q349 VanDerWaalsContact CG-CD 3.4Å; D347-Q349 PolarHBondContact O-N 2.89Å; D347-Q349 PolarHBondContact OD1-NE2 3.28Å; D347-Q349 WeakPolarHBondContact OD2-CB 3.48Å; D347-Q349 PolarHBondContact OD2-NE2 3.08Å; Q349-Y351 VanDerWaalsContact C-N 3.29Å; Q349-Y351 PolarHBondContact O-N 3.05Å |
| 350 | D | 94.7 | Very high | 82.8 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -87.8 | 7.8 | 177.1 | -78.8 | 0.7 | 0 | 0 | 0 | 113.2 | R310 W348 | R310-D350 WeakPolarHBondContact CB-O 3.41Å; R310-D350 WeakPolarHBondContact CG-O 3.36Å; R310-D350 VanDerWaalsContact CZ-CG 3.48Å; R310-D350 IonicContact CZ-OD1 3.69Å; R310-D350 IonicContact CZ-OD2 3.36Å; R310-D350 PolarHBondContact N-O 3.46Å; R310-D350 IonicContact NH1-OD1 3.49Å; R310-D350 PolarHBondContact NH1-OD1 3.12Å; R310-D350 IonicContact NH1-OD2 2.68Å; R310-D350 PolarHBondContact NH1-OD2 2.79Å; R310-D350 IonicContact NH2-OD1 3.32Å; R310-D350 IonicContact NH2-OD2 2.83Å; R310-D350 PolarHBondContact NH2-OD2 3.06Å; W348-D350 VanDerWaalsContact C-N 3.27Å; W348-D350 PolarHBondContact O-N 3Å |
| 351 | Y | 96.7 | Very high | 83.8 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.8 | 178.9 | -71.5 | -120.2 | 0 | 0 | 0 | 111.8 | R237 P239 A308 H309 W348 Q349 | R237-Y351 WeakPolarHBondContact O-CE1 2.96Å; P239-Y351 HydrophobicContact CG-CD1 3.92Å; P239-Y351 HydrophobicContact CG-CE1 4.21Å; A308-Y351 CarbonylContact O-C 3.59Å; A308-Y351 WeakPolarHBondContact O-CA 3.3Å; H309-Y351 HydrophobicContact CB-CE1 4.26Å; H309-Y351 HydrophobicContact CB-CE2 4.28Å; W348-Y351 AromaticContact CE3-CD1 3.84Å; W348-Y351 HydrophobicContact CE3-CD1 3.84Å; W348-Y351 AromaticContact CE3-CD2 3.82Å; W348-Y351 HydrophobicContact CE3-CD2 3.82Å; W348-Y351 AromaticContact CE3-CE1 3.71Å; W348-Y351 HydrophobicContact CE3-CE1 3.71Å; W348-Y351 AromaticContact CE3-CE2 3.68Å; W348-Y351 HydrophobicContact CE3-CE2 3.68Å; W348-Y351 AromaticContact CE3-CG 3.93Å; W348-Y351 HydrophobicContact CE3-CG 3.93Å; W348-Y351 AromaticContact CE3-CZ 3.64Å; W348-Y351 HydrophobicContact CZ3-CD1 4.17Å; W348-Y351 AromaticContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE2 4.03Å; W348-Y351 AromaticContact CZ3-CZ 3.53Å; W348-Y351 VanDerWaalsContact O-CB 3.3Å; W348-Y351 WeakPolarHBondContact O-CB 3.35Å; W348-Y351 PolarHBondContact O-N 3.49Å; Q349-Y351 VanDerWaalsContact C-N 3.29Å; Q349-Y351 PolarHBondContact O-N 3.05Å |
| 352 | V | 97.6 | Very high | 85.1 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.3 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | A308 R310 P319 L321 F354 | A308-V352 PolarHBondContact N-O 2.78Å; A308-V352 VanDerWaalsContact N-O 3.16Å; A308-V352 PolarHBondContact O-N 3.36Å; R310-V352 HydrophobicContact CB-CG1 4.1Å; R310-V352 HydrophobicContact CB-CG2 4.01Å; P319-V352 HydrophobicContact CB-CG2 4.38Å; L321-V352 HydrophobicContact CD2-CB 4.06Å; L321-V352 HydrophobicContact CD2-CG1 3.71Å; L321-V352 HydrophobicContact CD2-CG2 4.25Å; V352-F354 HydrophobicContact CG2-CD2 4.02Å; V352-F354 HydrophobicContact CG2-CE2 3.44Å; V352-F354 VanDerWaalsContact CG2-CE2 3.44Å; V352-F354 HydrophobicContact CG2-CZ 3.91Å; V352-F354 VanDerWaalsContact O-CD2 3.25Å; V352-F354 WeakPolarHBondContact O-CD2 3.14Å; V352-F354 PolarHBondContact O-N 2.85Å |
| 353 | W | 98.3 | Very high | 86.8 | Confident | 25 Ų | 25 | 56 Ų | 56 | 10% | 0.095 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.9 | 178.2 | -73.2 | 98.9 | 0 | 0 | 0 | 111.3 | R240 L242 L305 L307 P319 K320 F323 V325 | R240-W353 HydrophobicContact CB-CH2 3.75Å; R240-W353 HydrophobicContact CB-CZ2 4.43Å; L242-W353 HydrophobicContact CB-CZ3 4.31Å; L242-W353 HydrophobicContact CD1-CD2 4.48Å; L242-W353 HydrophobicContact CD1-CE3 4.11Å; L242-W353 HydrophobicContact CD1-CH2 3.48Å; L242-W353 VanDerWaalsContact CD1-CH2 3.48Å; L242-W353 HydrophobicContact CD1-CZ2 3.9Å; L242-W353 HydrophobicContact CD1-CZ3 3.61Å; L242-W353 HydrophobicContact CG-CH2 3.58Å; L242-W353 HydrophobicContact CG-CZ2 4.44Å; L242-W353 HydrophobicContact CG-CZ3 3.68Å; L305-W353 HydrophobicContact CB-CE3 3.89Å; L305-W353 HydrophobicContact CB-CZ3 4.38Å; L307-W353 HydrophobicContact CB-CD2 4.14Å; L307-W353 HydrophobicContact CB-CE3 3.96Å; L307-W353 HydrophobicContact CB-CH2 3.92Å; L307-W353 HydrophobicContact CB-CZ2 4.08Å; L307-W353 HydrophobicContact CB-CZ3 3.85Å; L307-W353 HydrophobicContact CD1-CD2 4.24Å; L307-W353 HydrophobicContact CD1-CG 4.31Å; L307-W353 HydrophobicContact CD2-CZ2 4.15Å; P319-W353 CarbonylContact C-O 3.56Å; K320-W353 HydrophobicContact CB-CB 4.45Å; K320-W353 WeakPolarHBondContact CB-O 3.42Å; K320-W353 PolarHBondContact N-O 3.25Å; F323-W353 HydrophobicContact CB-CB 4.43Å; F323-W353 HydrophobicContact CD1-CB 3.87Å; F323-W353 AromaticContact CD1-CD1 3.62Å; F323-W353 HydrophobicContact CD1-CD2 4.1Å; F323-W353 AromaticContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CE1-CD2 4.1Å; F323-W353 HydrophobicContact CE1-CG 4.06Å; F323-W353 HydrophobicContact CG-CB 4.48Å; V325-W353 HydrophobicContact CG2-CZ2 3.9Å |
| 354 | F | 98.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.5 | 176.9 | -81.1 | -84.7 | 0 | 0 | 0 | 109.3 | L305 A306 A308 V314 F317 P319 V352 | L305-F354 CarbonylContact C-O 3.53Å; L305-F354 VanDerWaalsContact CA-O 3.22Å; L305-F354 WeakPolarHBondContact CA-O 3.27Å; A306-F354 PolarHBondContact N-O 2.93Å; A306-F354 PolarHBondContact O-N 2.78Å; A308-F354 HydrophobicContact CB-CD2 3.85Å; A308-F354 HydrophobicContact CB-CE2 4.12Å; V314-F354 HydrophobicContact CG1-CD1 3.47Å; V314-F354 VanDerWaalsContact CG1-CD1 3.47Å; V314-F354 HydrophobicContact CG1-CE1 3.35Å; V314-F354 HydrophobicContact CG1-CG 4.15Å; V314-F354 HydrophobicContact CG1-CZ 3.93Å; F317-F354 HydrophobicContact CB-CB 3.87Å; F317-F354 HydrophobicContact CB-CD1 4.03Å; F317-F354 HydrophobicContact CB-CG 4.39Å; F317-F354 HydrophobicContact CD1-CB 4.24Å; F317-F354 HydrophobicContact CG-CB 4.32Å; P319-F354 HydrophobicContact CB-CD1 4.06Å; P319-F354 HydrophobicContact CB-CE1 3.76Å; P319-F354 HydrophobicContact CB-CZ 4.22Å; P319-F354 HydrophobicContact CG-CE1 4.18Å; V352-F354 HydrophobicContact CG2-CD2 4.02Å; V352-F354 HydrophobicContact CG2-CE2 3.44Å; V352-F354 VanDerWaalsContact CG2-CE2 3.44Å; V352-F354 HydrophobicContact CG2-CZ 3.91Å; V352-F354 VanDerWaalsContact O-CD2 3.25Å; V352-F354 WeakPolarHBondContact O-CD2 3.14Å; V352-F354 PolarHBondContact O-N 2.85Å |
| 355 | Q | 98.4 | Very high | 88.9 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.7 | -179.6 | -168.2 | -145.1 | -53.3 | 0 | 0 | 111.2 | T303 L305 F317 R318 K320 | T303-Q355 HydrophobicContact CG2-CG 3.65Å; L305-Q355 HydrophobicContact CD1-CG 4.39Å; L305-Q355 HydrophobicContact CD2-CB 4.01Å; L305-Q355 HydrophobicContact CD2-CG 4.14Å; L305-Q355 HydrophobicContact CG-CB 3.99Å; L305-Q355 HydrophobicContact CG-CG 3.87Å; F317-Q355 WeakPolarHBondContact CA-O 3.25Å; F317-Q355 VanDerWaalsContact CD1-C 3.47Å; R318-Q355 PolarHBondContact N-O 2.99Å; R318-Q355 PolarHBondContact O-N 2.7Å; K320-Q355 HydrophobicContact CD-CB 4.46Å; K320-Q355 HydrophobicContact CG-CB 3.93Å |
| 356 | A | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -58 | 138 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L225 V304 W316 F317 T358 | L225-A356 HydrophobicContact CD1-CB 3.9Å; V304-A356 PolarHBondContact O-N 3.37Å; W316-A356 HydrophobicContact CH2-CB 4.09Å; W316-A356 HydrophobicContact CZ3-CB 3.81Å; F317-A356 HydrophobicContact CD1-CB 4.42Å; F317-A356 HydrophobicContact CE1-CB 4.02Å; A356-T358 VanDerWaalsContact C-N 3.28Å; A356-T358 PolarHBondContact O-N 2.97Å | ||
| 357 | P | 96.4 | Very high | 91.8 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -70.5 | -25.7 | -178.7 | 29.9 | -34.7 | 0 | 0 | 0 | 112.6 | W316 R318 | W316-P357 HydrophobicContact CD2-CG 3.79Å; W316-P357 VanDerWaalsContact CE3-CD 3.43Å; W316-P357 HydrophobicContact CE3-CG 4.12Å; W316-P357 HydrophobicContact CG-CG 4.37Å; W316-P357 HydrophobicContact CH2-CG 4.21Å; W316-P357 HydrophobicContact CZ2-CG 3.86Å; W316-P357 VanDerWaalsContact CZ3-CD 3.45Å; W316-P357 HydrophobicContact CZ3-CG 4.33Å; R318-P357 HydrophobicContact CG-CB 4.5Å |
| 358 | T | 93.2 | Very high | 92.6 | Very high | 54 Ų | 54 | 48.4 Ų | 48.4 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -110.2 | 161.5 | 175.2 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | A356 | A356-T358 VanDerWaalsContact C-N 3.28Å; A356-T358 PolarHBondContact O-N 2.97Å |
| 359 | A | 95.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | trans | -125 | 127.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | P301 T302 T303 K361 | P301-A359 HydrophobicContact CB-CB 4.09Å; T302-A359 CarbonylContact O-C 3.57Å; T302-A359 VanDerWaalsContact O-CA 3.31Å; T302-A359 WeakPolarHBondContact O-CA 3.33Å; T303-A359 WeakPolarHBondContact OG1-CB 3.38Å; A359-K361 PolarHBondContact O-N 2.88Å | ||
| 360 | I | 96 | Very high | 92.9 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 119.4 | -174.6 | -52.3 | -54.4 | 0 | 0 | 0 | 109 | L170 T218 E221 L222 L225 P301 T302 | L170-I360 HydrophobicContact CD1-CG2 4.42Å; T218-I360 HydrophobicContact CG2-CG2 3.86Å; E221-I360 VanDerWaalsContact C-CD1 3.46Å; E221-I360 HydrophobicContact CB-CD1 3.87Å; E221-I360 VanDerWaalsContact O-CD1 3.26Å; E221-I360 WeakPolarHBondContact O-CD1 3.5Å; L222-I360 HydrophobicContact CB-CD1 4.32Å; L222-I360 HydrophobicContact CD1-CG1 4.45Å; L225-I360 HydrophobicContact CB-CD1 4.17Å; L225-I360 HydrophobicContact CD2-CD1 3.74Å; L225-I360 HydrophobicContact CD2-CG1 3.59Å; P301-I360 CarbonylContact C-O 3.47Å; P301-I360 WeakPolarHBondContact CA-O 3.44Å; T302-I360 PolarHBondContact N-O 2.65Å; T302-I360 PolarHBondContact O-N 3.46Å |
| 361 | K | 93.9 | Very high | 92.8 | Very high | 111 Ų | 111 | 41.6 Ų | 41.6 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115 | -179.7 | -56.1 | 176 | -153.4 | 76.6 | 0 | 109.4 | T218 E221 A359 | T218-K361 WeakPolarHBondContact CG2-O 3.37Å; T218-K361 PolarHBondContact OG1-O 3.05Å; E221-K361 VanDerWaalsContact CD-NZ 3.26Å; E221-K361 IonicContact OE1-NZ 2.72Å; E221-K361 PolarHBondContact OE1-NZ 3.32Å; E221-K361 IonicContact OE2-NZ 3.14Å; E221-K361 PolarHBondContact OE2-NZ 3.4Å; A359-K361 PolarHBondContact O-N 2.88Å |
| 362 | G | 89.6 | Confident | 92.5 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | trans | -61.9 | 151.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q175 | Q175-G362 CarbonylContact O-C 3.6Å; Q175-G362 WeakPolarHBondContact O-CA 3.35Å | ||
| 363 | F | 89.4 | Confident | 92.1 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | trans | -140.6 | 156.2 | 176.6 | 71.8 | -78.9 | 0 | 0 | 0 | 111.8 | Q175 L176 P177 L183 C215 T218 | Q175-F363 PolarHBondContact O-N 2.83Å; L176-F363 HydrophobicContact CD2-CD1 4.42Å; L176-F363 HydrophobicContact CD2-CE1 3.79Å; P177-F363 VanDerWaalsContact CD-CZ 3.49Å; P177-F363 HydrophobicContact CG-CD2 4.1Å; P177-F363 HydrophobicContact CG-CE2 3.51Å; P177-F363 HydrophobicContact CG-CZ 3.91Å; L183-F363 HydrophobicContact CD1-CE1 4.36Å; L183-F363 HydrophobicContact CD1-CZ 4.01Å; L183-F363 HydrophobicContact CD2-CZ 4Å; C215-F363 HydrophobicContact CB-CD2 4.21Å; C215-F363 HydrophobicContact CB-CE2 3.5Å; C215-F363 HydrophobicContact CB-CZ 3.72Å; C215-F363 VanDerWaalsContact SG-CZ 3.6Å; T218-F363 HydrophobicContact CG2-CD1 3.82Å; T218-F363 HydrophobicContact CG2-CE1 3.94Å | ||
| 364 | T | 83.5 | Confident | 91.6 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | trans | -112.4 | 163.9 | 165 | 63.9 | 0 | 0 | 0 | 0 | 109.8 | L299 | L299-T364 HydrophobicContact CD1-CG2 4.29Å; L299-T364 HydrophobicContact CD2-CG2 4.07Å; L299-T364 HydrophobicContact CG-CG2 4.43Å | ||
| 365 | N | 67.3 | Low | 91 | Very high | 141 Ų | 141 | 47.3 Ų | 47.3 | 75% | 0.754 | 27% | 0.269 | S | S | * | . | trans | -80.3 | 0 | 161.2 | -61.4 | -33.2 | 0 | 0 | 0 | 111.2 |
Retrieved 365 of 365 residues in 473.7 ms
(Link to these results)