| 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 | 44.8 | Very low | 40.7 | Very low | 252 Ų | 252 | 145.4 Ų | 145.4 | 100% | 1.241 | 80% | 0.804 | S | S | * | * | 0 | 124.3 | 0 | -83.1 | 159.8 | 165.4 | 0 | 0 | 107.1 | |||||
| 2 | I | 37 | Very low | 40.3 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -72.1 | 140.7 | -170 | -90.2 | 146.4 | 0 | 0 | 0 | 111 | ||||
| 3 | N | 42.3 | Very low | 40.1 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -159.8 | 104.2 | 133.6 | -97 | -20.4 | 0 | 0 | 0 | 110.4 | ||||
| 4 | T | 40.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -118.6 | 105.3 | 171 | -41.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 5 | Q | 49.7 | Very low | 39.5 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 73% | 0.729 | 82% | 0.818 | S | S | * | * | trans | -151.7 | 136.2 | 173.8 | -68.5 | -174 | -81.1 | 0 | 0 | 104.9 | ||||
| 6 | D | 42 | Very low | 39.3 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 68% | 0.684 | 81% | 0.814 | S | S | * | * | cis | -161.8 | 126.5 | 11.6 | -132.2 | -80.9 | 0 | 0 | 0 | 104 | ||||
| 7 | S | 37.5 | Very low | 39.1 | Very low | 116 Ų | 116 | 144 Ų | 144 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -117.5 | 92.5 | 172.4 | -64.6 | 0 | 0 | 0 | 0 | 107.7 | I9 | S7-I9 PolarHBondContact O-N 2.93Å; S7-I9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | S | 41.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -75.4 | 94.3 | 177.6 | 36.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | I | 37.9 | Very low | 39 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 82% | 0.815 | 81% | 0.812 | S | S | * | * | trans | -80.8 | 109.5 | 166 | -61.1 | 178.6 | 0 | 0 | 0 | 107.5 | S7 | S7-I9 PolarHBondContact O-N 2.93Å; S7-I9 VanDerWaalsContact O-N 3.13Å | ||
| 10 | L | 40.3 | Very low | 38.7 | Very low | 147 Ų | 147 | 145 Ų | 145 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -85.8 | 137.1 | 168.3 | -66.6 | -179.9 | 0 | 0 | 0 | 110.6 | ||||
| 11 | P | 34.4 | Very low | 38.9 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -85.6 | 117.3 | -179.6 | 32.9 | -29.9 | 0 | 0 | 0 | 110.6 | S13 | P11-S13 PolarHBondContact O-N 2.69Š| ||
| 12 | L | 36.4 | Very low | 38.7 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | trans | -80.7 | 94.4 | 164.2 | -88 | 109.1 | 0 | 0 | 0 | 109.8 | ||||
| 13 | S | 37.6 | Very low | 39.1 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -100.9 | 129.2 | 162.4 | -91.7 | 0 | 0 | 0 | 0 | 110.2 | P11 | P11-S13 PolarHBondContact O-N 2.69Š| ||
| 14 | N | 34.6 | Very low | 39.3 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 51.3 | 105.8 | 153.7 | -79.9 | -11.2 | 0 | 0 | 0 | 119.5 | ||||
| 15 | C | 36.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | trans | -125.1 | 128.4 | 145.3 | -81.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | P | 36.1 | Very low | 39.9 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 143.4 | -174.6 | 34.2 | -32.8 | 0 | 0 | 0 | 112.7 | ||||
| 17 | Q | 36.9 | Very low | 40.5 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 46.7 | 95.5 | 141.4 | -57.9 | -76.4 | 5.5 | 0 | 0 | 117.9 | ||||
| 18 | L | 38.3 | Very low | 41.1 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | trans | -107 | 90.4 | 152.4 | -73 | -177.3 | 0 | 0 | 0 | 109.8 | C20 | L18-C20 PolarHBondContact O-N 2.81Š| ||
| 19 | Q | 37.8 | Very low | 41.6 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 93.5 | 174.4 | -172.2 | 165.7 | -26.7 | 0 | 0 | 108.9 | C21 | Q19-C21 PolarHBondContact O-N 2.82Š| ||
| 20 | C | 33.3 | Very low | 42.3 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -92.2 | 71.1 | 175.9 | -161.2 | 0 | 0 | 0 | 0 | 110.7 | L18 | L18-C20 PolarHBondContact O-N 2.81Š| ||
| 21 | C | 41.8 | Very low | 42.8 | Very low | 94 Ų | 94 | 143 Ų | 143 | 64% | 0.635 | 80% | 0.796 | S | S | * | * | trans | -93.6 | 96.4 | 167.5 | -66.9 | 0 | 0 | 0 | 0 | 109 | Q19 H23 | Q19-C21 PolarHBondContact O-N 2.82Å; C21-H23 VanDerWaalsContact C-N 3.29Å; C21-H23 PolarHBondContact O-N 3.18Å | ||
| 22 | R | 40.4 | Very low | 43.4 | Very low | 231 Ų | 231 | 143 Ų | 143 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -75 | 83 | 165.1 | -74.7 | -176.6 | 166.9 | -177.2 | -2.4 | 109.2 | ||||
| 23 | H | 45.8 | Very low | 44 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -86.7 | 105.8 | 161.3 | -103.6 | -102 | 0 | 0 | 0 | 108.8 | C21 | C21-H23 VanDerWaalsContact C-N 3.29Å; C21-H23 PolarHBondContact O-N 3.18Å | ||
| 24 | I | 46.4 | Very low | 44.8 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -72.6 | 118.5 | 163 | -81.1 | 152 | 0 | 0 | 0 | 107 | ||||
| 25 | V | 50.4 | Low | 45.5 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -118 | 134.4 | 172.5 | -156.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 26 | P | 52 | Low | 46.5 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -97.3 | 143.8 | -172.3 | 34.4 | -27.6 | 0 | 0 | 0 | 113 | ||||
| 27 | G | 55.3 | Low | 47.3 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | 148.7 | 163.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 28 | P | 50.1 | Low | 47.7 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | cis | -133.4 | 176.6 | -31.2 | 34.4 | -15 | 0 | 0 | 0 | 114 | ||||
| 29 | L | 52.6 | Low | 48.4 | Very low | 149 Ų | 149 | 138 Ų | 138 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 162.1 | -176.9 | -79 | 112.9 | 0 | 0 | 0 | 116.9 | ||||
| 30 | W | 52.1 | Low | 48.8 | Very low | 230 Ų | 230 | 140.7 Ų | 140.7 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | 89.6 | 108.1 | 162.8 | -70.5 | -40.5 | 0 | 0 | 0 | 117.7 | ||||
| 31 | C | 49.6 | Very low | 50 | Low | 111 Ų | 111 | 142.4 Ų | 142.4 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | 80.2 | 100.2 | 68.2 | -72.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 32 | S | 47.5 | Very low | 50.3 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | 136.1 | 129.9 | 114.3 | -70.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 33 | D | 49.2 | Very low | 50.8 | Low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | 52.3 | 112.1 | 149.2 | -86.3 | -43.8 | 0 | 0 | 0 | 122.3 | ||||
| 34 | A | 53.8 | Low | 50.7 | Low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | -170 | 132 | 115.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 35 | P | 51 | Low | 51.2 | Low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | trans | -101.4 | 131.3 | -180 | 34.7 | -26.1 | 0 | 0 | 0 | 111.3 | ||||
| 36 | H | 56.2 | Low | 51.1 | Low | 188 Ų | 188 | 133.8 Ų | 133.8 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -153.1 | 144.8 | 152.6 | -78.5 | -55.5 | 0 | 0 | 0 | 112.8 | ||||
| 37 | P | 52.6 | Low | 51 | Low | 108 Ų | 108 | 131.4 Ų | 131.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -109.2 | 171.6 | -161.8 | 41.9 | -32.4 | 0 | 0 | 0 | 115.2 | ||||
| 38 | L | 45.1 | Very low | 50.6 | Low | 161 Ų | 161 | 131.3 Ų | 131.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 75.1 | 104.6 | 163.3 | -55 | -177.8 | 0 | 0 | 0 | 118.4 | ||||
| 39 | S | 53.3 | Low | 50.9 | Low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -179 | 103.7 | 124.8 | -81.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 40 | K | 45.7 | Very low | 51 | Low | 209 Ų | 209 | 135.7 Ų | 135.7 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 41.5 | 84.8 | 132.3 | -144.5 | 178 | -165.2 | -175.7 | 0 | 118 | ||||
| 41 | I | 58.5 | Low | 51.3 | Low | 152 Ų | 152 | 129.3 Ų | 129.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -136.3 | 122.7 | 149 | -54.8 | 179.9 | 0 | 0 | 0 | 108.5 | G43 | I41-G43 VanDerWaalsContact C-N 3.28Å; I41-G43 PolarHBondContact O-N 2.83Å | ||
| 42 | P | 48.8 | Very low | 51.9 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -74.6 | 83.1 | 174.4 | 31.5 | -31.4 | 0 | 0 | 0 | 108.9 | G44 | P42-G44 VanDerWaalsContact C-N 3.31Å; P42-G44 PolarHBondContact O-N 3.34Å | ||
| 43 | G | 50.6 | Low | 53.3 | Low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | -92.3 | 47.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | I41 R45 | I41-G43 VanDerWaalsContact C-N 3.28Å; I41-G43 PolarHBondContact O-N 2.83Å; G43-R45 PolarHBondContact O-N 3.1Å | ||
| 44 | G | 43.6 | Very low | 55 | Low | 80 Ų | 80 | 122.6 Ų | 122.6 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | -73.8 | 70.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | P42 G46 | P42-G44 VanDerWaalsContact C-N 3.31Å; P42-G44 PolarHBondContact O-N 3.34Å; G44-G46 PolarHBondContact O-N 3.43Å | ||
| 45 | R | 56.8 | Low | 56.8 | Low | 240 Ų | 240 | 120 Ų | 120 | 91% | 0.906 | 72% | 0.721 | S | S | * | * | trans | -81.6 | 74.5 | 173.8 | -157.4 | 176.4 | 176.8 | -150.2 | -0.9 | 108.4 | G43 G47 | G43-R45 PolarHBondContact O-N 3.1Å; R45-G47 PolarHBondContact O-N 3.04Å | ||
| 46 | G | 49.4 | Very low | 58.9 | Low | 75 Ų | 75 | 120.4 Ų | 120.4 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -63.5 | 88.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G44 G48 | G44-G46 PolarHBondContact O-N 3.43Å; G46-G48 PolarHBondContact O-N 2.88Å | ||
| 47 | G | 48.2 | Very low | 60.7 | Low | 72 Ų | 72 | 115 Ų | 115 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | -73.1 | 61.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R45 R49 | R45-G47 PolarHBondContact O-N 3.04Å; G47-R49 VanDerWaalsContact C-N 3.29Å; G47-R49 PolarHBondContact O-N 3.06Å | ||
| 48 | G | 48.5 | Very low | 62.8 | Low | 70 Ų | 70 | 113 Ų | 113 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | trans | -66.3 | 95.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | G46 D50 | G46-G48 PolarHBondContact O-N 2.88Å; G48-D50 VanDerWaalsContact C-N 3.34Å; G48-D50 PolarHBondContact O-N 3.08Å | ||
| 49 | R | 55.7 | Low | 65.2 | Low | 234 Ų | 234 | 112.2 Ų | 112.2 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -56.2 | 107.5 | 161.2 | -77.3 | 176.2 | 171.4 | 175.7 | -3.6 | 105.2 | G47 P51 | G47-R49 VanDerWaalsContact C-N 3.29Å; G47-R49 PolarHBondContact O-N 3.06Å; R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.47Å; R49-P51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | D | 55.5 | Low | 67.2 | Low | 143 Ų | 143 | 109.8 Ų | 109.8 | 77% | 0.765 | 64% | 0.641 | S | S | * | * | trans | -56.1 | 116.9 | 167.7 | -132.1 | -18.6 | 0 | 0 | 0 | 105.6 | G48 S52 | G48-D50 VanDerWaalsContact C-N 3.34Å; G48-D50 PolarHBondContact O-N 3.08Å; D50-S52 PolarHBondContact O-N 2.68Å | ||
| 51 | P | 57.5 | Low | 69.5 | Low | 96 Ų | 96 | 108.5 Ų | 108.5 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | trans | -58.1 | 127.1 | 170.6 | -14.1 | 27.9 | 0 | 0 | 0 | 105.6 | R49 L53 | R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.47Å; R49-P51 VanDerWaalsContact O-N 3.09Å; P51-L53 PolarHBondContact O-N 3.42Å | ||
| 52 | S | 61.5 | Low | 71.2 | Confident | 76 Ų | 76 | 106.1 Ų | 106.1 | 53% | 0.531 | 62% | 0.622 | S | S | . | * | trans | -49.2 | 112.9 | 170.3 | 47.8 | 0 | 0 | 0 | 0 | 107.6 | D50 S54 | D50-S52 PolarHBondContact O-N 2.68Å; S52-S54 PolarHBondContact O-N 2.77Å; S52-S54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | L | 77.3 | Confident | 73.5 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | trans | -70.8 | 111.8 | -177.9 | -67.3 | 177.7 | 0 | 0 | 0 | 106.9 | P51 L69 | P51-L53 PolarHBondContact O-N 3.42Å; L53-L69 HydrophobicContact CB-CD1 3.7Å; L53-L69 HydrophobicContact CB-CG 4.35Å; L53-L69 HydrophobicContact CD1-CD1 4.44Å; L53-L69 VanDerWaalsContact O-CB 3.32Å; L53-L69 WeakPolarHBondContact O-CB 3.33Å; L53-L69 VanDerWaalsContact O-CG 3.25Å; L53-L69 WeakPolarHBondContact O-CG 3.34Å; L53-L69 PolarHBondContact O-N 3.4Å | ||
| 54 | S | 85.6 | Confident | 75.7 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 36% | 0.364 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.5 | 171.6 | -47 | 0 | 0 | 0 | 0 | 108.6 | S52 Q67 D68 | S52-S54 PolarHBondContact O-N 2.77Å; S52-S54 VanDerWaalsContact O-N 3.13Å; S54-Q67 CarbonylContact C-O 3.44Å; S54-Q67 VanDerWaalsContact CA-O 3.24Å; S54-Q67 WeakPolarHBondContact CA-O 3.44Å; S54-D68 PolarHBondContact OG-OD1 2.87Å; S54-D68 VanDerWaalsContact OG-OD1 3.04Å |
| 55 | A | 91.6 | Very high | 78.3 | Confident | 39 Ų | 39 | 94.5 Ų | 94.5 | 32% | 0.322 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | I57 T66 Q67 L69 | A55-I57 PolarHBondContact O-N 2.97Å; A55-T66 CarbonylContact O-C 3.55Å; A55-T66 WeakPolarHBondContact O-CA 3.32Å; A55-T66 WeakPolarHBondContact O-CB 3.37Å; A55-Q67 PolarHBondContact N-O 3.48Å; A55-Q67 PolarHBondContact O-N 3.34Å; A55-L69 HydrophobicContact CB-CD2 3.9Å |
| 56 | L | 94.8 | Very high | 80.2 | Confident | 111 Ų | 111 | 84.3 Ų | 84.3 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 118.9 | 171.7 | -177.1 | 69 | 0 | 0 | 0 | 109.7 | Y58 K59 T64 T66 | L56-Y58 WeakPolarHBondContact CD1-O 3.33Å; L56-K59 HydrophobicContact CD1-CB 4.36Å; L56-K59 HydrophobicContact CD2-CB 4.48Å; L56-T64 HydrophobicContact CD1-CG2 3.71Å; L56-T66 HydrophobicContact CD1-CG2 3.95Å |
| 57 | I | 93.4 | Very high | 82.3 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -41.1 | 177.6 | -57.9 | 164.7 | 0 | 0 | 0 | 110.6 | A55 V65 Q67 V79 F125 | A55-I57 PolarHBondContact O-N 2.97Å; I57-V65 HydrophobicContact CB-CG1 4.44Å; I57-V65 HydrophobicContact CD1-CG1 4.2Å; I57-V65 PolarHBondContact N-O 2.95Å; I57-Q67 HydrophobicContact CD1-CB 3.18Å; I57-Q67 HydrophobicContact CD1-CG 4.24Å; I57-Q67 HydrophobicContact CG1-CB 3.88Å; I57-V79 HydrophobicContact CD1-CG1 4.25Å; I57-F125 HydrophobicContact CG2-CZ 4.42Å |
| 58 | Y | 96.5 | Very high | 84.2 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 26% | 0.259 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 148.1 | -174.5 | 179.2 | -104.4 | 0 | 0 | 0 | 111.4 | L56 D60 L63 V65 F125 | L56-Y58 WeakPolarHBondContact CD1-O 3.33Å; Y58-D60 HydrophobicContact CE1-CB 3.91Å; Y58-D60 VanDerWaalsContact CE1-OD2 3.32Å; Y58-D60 WeakPolarHBondContact CE1-OD2 3.04Å; Y58-D60 WeakPolarHBondContact OH-CB 3.42Å; Y58-D60 PolarHBondContact OH-OD2 3.38Å; Y58-L63 HydrophobicContact CD1-CD2 4.33Å; Y58-L63 HydrophobicContact CE1-CD2 4.22Å; Y58-V65 HydrophobicContact CD1-CG2 4.14Å; Y58-V65 PolarHBondContact N-O 3.19Å; Y58-V65 VanDerWaalsContact N-O 3.15Å; Y58-V65 PolarHBondContact O-N 3.23Å; Y58-F125 AromaticContact CD1-CD2 3.57Å; Y58-F125 HydrophobicContact CD1-CD2 3.57Å; Y58-F125 AromaticContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD2-CD2 4.47Å; Y58-F125 AromaticContact CD2-CE2 4Å; Y58-F125 HydrophobicContact CD2-CE2 4Å; Y58-F125 AromaticContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CE2 4.28Å; Y58-F125 AromaticContact CG-CD2 3.87Å; Y58-F125 HydrophobicContact CG-CD2 3.87Å; Y58-F125 AromaticContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CZ 4.35Å |
| 59 | K | 96.3 | Very high | 85.8 | Confident | 145 Ų | 145 | 81.2 Ų | 81.2 | 63% | 0.63 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 128 | 171.6 | -173.5 | 170.7 | -176.4 | 178.9 | 0 | 109.9 | L56 L63 | L56-K59 HydrophobicContact CD1-CB 4.36Å; L56-K59 HydrophobicContact CD2-CB 4.48Å; K59-L63 WeakPolarHBondContact CA-O 3.34Å |
| 60 | D | 94.6 | Very high | 86.6 | Confident | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | trans | -120.5 | -158.5 | 167.5 | 69.1 | 31.7 | 0 | 0 | 0 | 111.1 | Y58 K62 L63 | Y58-D60 HydrophobicContact CE1-CB 3.91Å; Y58-D60 VanDerWaalsContact CE1-OD2 3.32Å; Y58-D60 WeakPolarHBondContact CE1-OD2 3.04Å; Y58-D60 WeakPolarHBondContact OH-CB 3.42Å; Y58-D60 PolarHBondContact OH-OD2 3.38Å; D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 PolarHBondContact OD1-N 2.95Å; D60-L63 PolarHBondContact N-O 3.26Å; D60-L63 PolarHBondContact OD1-N 2.91Å | ||
| 61 | E | 94.2 | Very high | 87.1 | Confident | 182 Ų | 182 | 72.8 Ų | 72.8 | 85% | 0.85 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -60.9 | -31.8 | 178.9 | -62.5 | -174 | 167.4 | 0 | 0 | 113.8 | ||
| 62 | K | 95.4 | Very high | 87.6 | Confident | 101 Ų | 101 | 74 Ų | 74 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -131.4 | -29.8 | -174.9 | -67.7 | -167.9 | 171.6 | -171.2 | 0 | 114.6 | D60 Y83 E84 | D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 PolarHBondContact OD1-N 2.95Å; K62-Y83 HydrophobicContact CB-CD2 4.13Å; K62-Y83 HydrophobicContact CB-CE2 3.75Å; K62-Y83 HydrophobicContact CD-CE2 4.04Å; K62-Y83 WeakPolarHBondContact CD-OH 3.36Å; K62-Y83 CarbonylContact O-C 3.53Å; K62-Y83 WeakPolarHBondContact O-CA 3.08Å; K62-E84 HydrophobicContact CB-CB 4.42Å; K62-E84 PolarHBondContact O-N 2.97Å |
| 63 | L | 96.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.3 | -177.2 | -173.5 | 67.1 | 0 | 0 | 0 | 110.5 | Y58 K59 D60 V65 F81 Q82 A121 F125 | Y58-L63 HydrophobicContact CD1-CD2 4.33Å; Y58-L63 HydrophobicContact CE1-CD2 4.22Å; K59-L63 WeakPolarHBondContact CA-O 3.34Å; D60-L63 PolarHBondContact N-O 3.26Å; D60-L63 PolarHBondContact OD1-N 2.91Å; L63-V65 HydrophobicContact CD1-CG2 4.42Å; L63-V65 HydrophobicContact CD2-CG2 4Å; L63-V65 HydrophobicContact CG-CG2 3.91Å; L63-F81 HydrophobicContact CD1-CD1 4.36Å; L63-Q82 CarbonylContact C-O 3.56Å; L63-Q82 WeakPolarHBondContact CA-O 3.41Å; L63-A121 HydrophobicContact CD2-CB 4.42Å; L63-F125 HydrophobicContact CD2-CB 3.74Å; L63-F125 HydrophobicContact CD2-CD2 4.28Å; L63-F125 HydrophobicContact CD2-CG 4.11Å |
| 64 | T | 97.3 | Very high | 87.4 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 18% | 0.178 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.5 | 168.2 | -60.9 | 0 | 0 | 0 | 0 | 108.8 | L56 T66 Q82 | L56-T64 HydrophobicContact CD1-CG2 3.71Å; T64-T66 HydrophobicContact CG2-CG2 4.39Å; T64-Q82 PolarHBondContact N-O 2.93Å; T64-Q82 PolarHBondContact O-N 3.37Å |
| 65 | V | 97.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.8 | 179.7 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | I57 Y58 L63 V79 H80 F81 F125 | I57-V65 HydrophobicContact CB-CG1 4.44Å; I57-V65 HydrophobicContact CD1-CG1 4.2Å; I57-V65 PolarHBondContact N-O 2.95Å; Y58-V65 HydrophobicContact CD1-CG2 4.14Å; Y58-V65 PolarHBondContact N-O 3.19Å; Y58-V65 VanDerWaalsContact N-O 3.15Å; Y58-V65 PolarHBondContact O-N 3.23Å; L63-V65 HydrophobicContact CD1-CG2 4.42Å; L63-V65 HydrophobicContact CD2-CG2 4Å; L63-V65 HydrophobicContact CG-CG2 3.91Å; V65-V79 HydrophobicContact CG1-CG1 3.43Å; V65-V79 VanDerWaalsContact CG1-CG1 3.43Å; V65-H80 VanDerWaalsContact CA-O 3.31Å; V65-H80 WeakPolarHBondContact CA-O 3.44Å; V65-F81 HydrophobicContact CG1-CD1 4.21Å; V65-F81 HydrophobicContact CG1-CE1 4Å; V65-F81 HydrophobicContact CG1-CZ 4.31Å; V65-F81 HydrophobicContact CG2-CD1 3.75Å; V65-F81 HydrophobicContact CG2-CE1 3.94Å; V65-F125 HydrophobicContact CB-CE1 4.38Å; V65-F125 HydrophobicContact CB-CZ 4.15Å; V65-F125 HydrophobicContact CG1-CE1 3.94Å; V65-F125 HydrophobicContact CG1-CZ 4.04Å; V65-F125 HydrophobicContact CG2-CD1 4.27Å; V65-F125 HydrophobicContact CG2-CD2 4.26Å; V65-F125 HydrophobicContact CG2-CE1 4.01Å; V65-F125 HydrophobicContact CG2-CE2 4.11Å; V65-F125 HydrophobicContact CG2-CG 4.34Å; V65-F125 HydrophobicContact CG2-CZ 3.95Å |
| 66 | T | 96.2 | Very high | 85.9 | Confident | 27 Ų | 27 | 80.4 Ų | 80.4 | 17% | 0.166 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 155.9 | 175.6 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | A55 L56 T64 V79 H80 | A55-T66 CarbonylContact O-C 3.55Å; A55-T66 WeakPolarHBondContact O-CA 3.32Å; A55-T66 WeakPolarHBondContact O-CB 3.37Å; L56-T66 HydrophobicContact CD1-CG2 3.95Å; T64-T66 HydrophobicContact CG2-CG2 4.39Å; T66-V79 CarbonylContact O-C 3.54Å; T66-V79 WeakPolarHBondContact O-CA 3.07Å; T66-H80 PolarHBondContact N-O 2.86Å; T66-H80 PolarHBondContact O-N 3.15Å; T66-H80 WeakPolarHBondContact OG1-CB 3.36Å |
| 67 | Q | 93.3 | Very high | 85.4 | Confident | 57 Ų | 57 | 79.1 Ų | 79.1 | 27% | 0.266 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.3 | 176.2 | 166.6 | 177.3 | 56.1 | 0 | 0 | 111.3 | S54 A55 I57 L69 I78 V79 | S54-Q67 CarbonylContact C-O 3.44Å; S54-Q67 VanDerWaalsContact CA-O 3.24Å; S54-Q67 WeakPolarHBondContact CA-O 3.44Å; A55-Q67 PolarHBondContact N-O 3.48Å; A55-Q67 PolarHBondContact O-N 3.34Å; I57-Q67 HydrophobicContact CD1-CB 3.18Å; I57-Q67 HydrophobicContact CD1-CG 4.24Å; I57-Q67 HydrophobicContact CG1-CB 3.88Å; Q67-L69 PolarHBondContact O-N 3.34Å; Q67-I78 WeakPolarHBondContact CA-O 3.44Å; Q67-V79 HydrophobicContact CB-CG2 4.47Å |
| 68 | D | 90.1 | Very high | 85.3 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 8% | 0.075 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 127.2 | 172.9 | -88.8 | 0.9 | 0 | 0 | 0 | 110.7 | S54 K75 I78 H80 | S54-D68 PolarHBondContact OG-OD1 2.87Å; S54-D68 VanDerWaalsContact OG-OD1 3.04Å; D68-K75 IonicContact OD2-NZ 3.56Å; D68-K75 PolarHBondContact OD2-NZ 3.21Å; D68-I78 HydrophobicContact CB-CB 4.49Å; D68-I78 PolarHBondContact N-O 3.2Å; D68-H80 IonicContact OD1-CD2 2.84Å; D68-H80 IonicContact OD1-NE2 2.82Å; D68-H80 PolarHBondContact OD1-NE2 3.05Å; D68-H80 IonicContact OD2-NE2 3.69Å |
| 69 | L | 81.8 | Confident | 85.2 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 42% | 0.424 | 40% | 0.401 | S | S | . | . | trans | -65.2 | 140.8 | 169.9 | -66.9 | -179 | 0 | 0 | 0 | 109.5 | L53 A55 Q67 V71 | L53-L69 HydrophobicContact CB-CD1 3.7Å; L53-L69 HydrophobicContact CB-CG 4.35Å; L53-L69 HydrophobicContact CD1-CD1 4.44Å; L53-L69 VanDerWaalsContact O-CB 3.32Å; L53-L69 WeakPolarHBondContact O-CB 3.33Å; L53-L69 VanDerWaalsContact O-CG 3.25Å; L53-L69 WeakPolarHBondContact O-CG 3.34Å; L53-L69 PolarHBondContact O-N 3.4Å; A55-L69 HydrophobicContact CB-CD2 3.9Å; Q67-L69 PolarHBondContact O-N 3.34Å; L69-V71 WeakPolarHBondContact O-CG2 3.37Å; L69-V71 PolarHBondContact O-N 2.99Å | ||
| 70 | P | 71.1 | Confident | 85.2 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | trans | -62.3 | 103.6 | 175.1 | 23.2 | -30 | 0 | 0 | 0 | 109.7 | N72 | P70-N72 VanDerWaalsContact C-N 3.34Š| ||
| 71 | V | 66.2 | Low | 85.2 | Confident | 117 Ų | 117 | 65.9 Ų | 65.9 | 71% | 0.709 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -81.4 | -20.2 | 175.7 | -175.2 | 0 | 0 | 0 | 0 | 111 | L69 | L69-V71 WeakPolarHBondContact O-CG2 3.37Å; L69-V71 PolarHBondContact O-N 2.99Å |
| 72 | N | 68.3 | Low | 85.3 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 64% | 0.642 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -158.4 | 149.5 | 175.8 | -162 | 16.7 | 0 | 0 | 0 | 110.7 | P70 G74 K75 | P70-N72 VanDerWaalsContact C-N 3.34Å; N72-G74 PolarHBondContact O-N 2.98Å; N72-K75 PolarHBondContact O-N 3.46Å |
| 73 | D | 65.3 | Low | 85.3 | Confident | 165 Ų | 165 | 57.7 Ų | 57.7 | 88% | 0.882 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 97 | 174.8 | -68.5 | -41.4 | 0 | 0 | 0 | 109.4 | ||
| 74 | G | 69.1 | Low | 85.3 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 79% | 0.794 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.6 | -10.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N72 | N72-G74 PolarHBondContact O-N 2.98Š|
| 75 | K | 70.9 | Confident | 85.1 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -74 | 131.6 | 168.1 | -167.7 | -172.5 | 176.6 | -158.5 | 0 | 108.3 | D68 N72 H77 | D68-K75 IonicContact OD2-NZ 3.56Å; D68-K75 PolarHBondContact OD2-NZ 3.21Å; N72-K75 PolarHBondContact O-N 3.46Å; K75-H77 PolarHBondContact O-N 3Å |
| 76 | P | 74.5 | Confident | 84.9 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -58.4 | 138.7 | 172.8 | 24.8 | -33.6 | 0 | 0 | 0 | 109.9 | I78 V96 | P76-I78 PolarHBondContact O-N 3.45Å; P76-V96 HydrophobicContact CB-CG1 3.84Å; P76-V96 HydrophobicContact CB-CG2 4.11Å | ||
| 77 | H | 83.9 | Confident | 84.6 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 39% | 0.389 | 40% | 0.398 | S | S | . | . | trans | -70.4 | 102 | 173.8 | -64.7 | -81.6 | 0 | 0 | 0 | 108.9 | K75 | K75-H77 PolarHBondContact O-N 3Š| ||
| 78 | I | 91.8 | Very high | 84.6 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 19% | 0.19 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.3 | 177.5 | -54.9 | 176.9 | 0 | 0 | 0 | 108.1 | Q67 D68 P76 H80 D94 A95 | Q67-I78 WeakPolarHBondContact CA-O 3.44Å; D68-I78 HydrophobicContact CB-CB 4.49Å; D68-I78 PolarHBondContact N-O 3.2Å; P76-I78 PolarHBondContact O-N 3.45Å; I78-H80 WeakPolarHBondContact CG2-CE1 3.46Å; I78-D94 HydrophobicContact CG2-CB 4.16Å; I78-A95 CarbonylContact C-O 3.54Å; I78-A95 WeakPolarHBondContact CA-O 3.44Å |
| 79 | V | 94.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.8 | 171.3 | -174.2 | 0 | 0 | 0 | 0 | 107.4 | I57 V65 T66 Q67 F81 A95 M130 | I57-V79 HydrophobicContact CD1-CG1 4.25Å; V65-V79 HydrophobicContact CG1-CG1 3.43Å; V65-V79 VanDerWaalsContact CG1-CG1 3.43Å; T66-V79 CarbonylContact O-C 3.54Å; T66-V79 WeakPolarHBondContact O-CA 3.07Å; Q67-V79 HydrophobicContact CB-CG2 4.47Å; V79-F81 HydrophobicContact CB-CE2 3.97Å; V79-F81 HydrophobicContact CG1-CD2 4.19Å; V79-F81 HydrophobicContact CG1-CE2 3.51Å; V79-F81 HydrophobicContact CG1-CZ 3.73Å; V79-A95 PolarHBondContact N-O 2.8Å; V79-A95 PolarHBondContact O-N 3.27Å; V79-M130 HydrophobicContact CB-CE 4.42Å; V79-M130 HydrophobicContact CG1-CE 3.83Å; V79-M130 HydrophobicContact CG2-CE 4Å |
| 80 | H | 95.5 | Very high | 85.2 | Confident | 34 Ų | 34 | 78.9 Ų | 78.9 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125 | 180 | -55.5 | -77.5 | 0 | 0 | 0 | 109.1 | V65 T66 D68 I78 D94 | V65-H80 VanDerWaalsContact CA-O 3.31Å; V65-H80 WeakPolarHBondContact CA-O 3.44Å; T66-H80 PolarHBondContact N-O 2.86Å; T66-H80 PolarHBondContact O-N 3.15Å; T66-H80 WeakPolarHBondContact OG1-CB 3.36Å; D68-H80 IonicContact OD1-CD2 2.84Å; D68-H80 IonicContact OD1-NE2 2.82Å; D68-H80 PolarHBondContact OD1-NE2 3.05Å; D68-H80 IonicContact OD2-NE2 3.69Å; I78-H80 WeakPolarHBondContact CG2-CE1 3.46Å; H80-D94 IonicContact CE1-OD1 3.6Å; H80-D94 IonicContact CG-OD1 3.74Å; H80-D94 IonicContact ND1-OD1 2.65Å; H80-D94 PolarHBondContact ND1-OD1 2.85Å |
| 81 | F | 96.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 0% | 0.004 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.9 | 175.4 | -64.2 | -95.9 | 0 | 0 | 0 | 109 | L63 V65 V79 S92 W93 A95 L102 L122 F125 M130 | L63-F81 HydrophobicContact CD1-CD1 4.36Å; V65-F81 HydrophobicContact CG1-CD1 4.21Å; V65-F81 HydrophobicContact CG1-CE1 4Å; V65-F81 HydrophobicContact CG1-CZ 4.31Å; V65-F81 HydrophobicContact CG2-CD1 3.75Å; V65-F81 HydrophobicContact CG2-CE1 3.94Å; V79-F81 HydrophobicContact CB-CE2 3.97Å; V79-F81 HydrophobicContact CG1-CD2 4.19Å; V79-F81 HydrophobicContact CG1-CE2 3.51Å; V79-F81 HydrophobicContact CG1-CZ 3.73Å; F81-S92 CarbonylContact O-C 3.44Å; F81-S92 VanDerWaalsContact O-CA 3.25Å; F81-S92 WeakPolarHBondContact O-CA 3.48Å; F81-W93 HydrophobicContact CB-CB 4.22Å; F81-W93 PolarHBondContact N-O 2.9Å; F81-W93 PolarHBondContact O-N 2.79Å; F81-A95 HydrophobicContact CD2-CB 4.35Å; F81-A95 HydrophobicContact CE2-CB 3.83Å; F81-L102 HydrophobicContact CE2-CD2 4.18Å; F81-L102 HydrophobicContact CZ-CD2 3.88Å; F81-L122 HydrophobicContact CB-CD1 4.09Å; F81-L122 HydrophobicContact CD1-CB 4.24Å; F81-L122 HydrophobicContact CD1-CD1 3.95Å; F81-L122 HydrophobicContact CD1-CG 3.8Å; F81-L122 HydrophobicContact CD2-CD1 3.67Å; F81-L122 HydrophobicContact CD2-CG 4.27Å; F81-L122 HydrophobicContact CE1-CD1 4.29Å; F81-L122 HydrophobicContact CE1-CG 3.84Å; F81-L122 HydrophobicContact CE2-CD1 4.05Å; F81-L122 HydrophobicContact CE2-CG 4.32Å; F81-L122 HydrophobicContact CG-CD1 3.62Å; F81-L122 HydrophobicContact CG-CG 4.02Å; F81-L122 HydrophobicContact CZ-CD1 4.35Å; F81-L122 HydrophobicContact CZ-CG 4.11Å; F81-F125 AromaticContact CE1-CD1 3.49Å; F81-F125 HydrophobicContact CE1-CD1 3.49Å; F81-F125 VanDerWaalsContact CE1-CD1 3.49Å; F81-F125 AromaticContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CG 4.32Å; F81-F125 HydrophobicContact CZ-CD1 4.14Å; F81-F125 HydrophobicContact CZ-CE1 4.26Å; F81-M130 HydrophobicContact CZ-CE 4.34Å; F81-M130 HydrophobicContact CZ-SD 4.25Å |
| 82 | Q | 95.2 | Very high | 87.4 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 39% | 0.388 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 113.6 | 177.7 | -69.8 | -177.3 | -1.7 | 0 | 0 | 108.7 | L63 T64 V90 | L63-Q82 CarbonylContact C-O 3.56Å; L63-Q82 WeakPolarHBondContact CA-O 3.41Å; T64-Q82 PolarHBondContact N-O 2.93Å; T64-Q82 PolarHBondContact O-N 3.37Å; Q82-V90 HydrophobicContact CB-CG1 3.75Å; Q82-V90 HydrophobicContact CG-CG1 4.23Å |
| 83 | Y | 95.9 | Very high | 88.6 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.1 | 178.1 | -178 | -98.3 | 0 | 0 | 0 | 110.7 | K62 V85 V90 S91 E117 A121 | K62-Y83 HydrophobicContact CB-CD2 4.13Å; K62-Y83 HydrophobicContact CB-CE2 3.75Å; K62-Y83 HydrophobicContact CD-CE2 4.04Å; K62-Y83 WeakPolarHBondContact CD-OH 3.36Å; K62-Y83 CarbonylContact O-C 3.53Å; K62-Y83 WeakPolarHBondContact O-CA 3.08Å; Y83-V85 HydrophobicContact CD1-CG2 4.06Å; Y83-V85 PolarHBondContact O-N 2.9Å; Y83-V90 CarbonylContact O-C 3.51Å; Y83-V90 VanDerWaalsContact O-CA 3.28Å; Y83-V90 WeakPolarHBondContact O-CA 3.5Å; Y83-S91 PolarHBondContact N-O 2.99Å; Y83-S91 PolarHBondContact O-N 3.18Å; Y83-E117 HydrophobicContact CE1-CB 3.7Å; Y83-A121 HydrophobicContact CD2-CB 3.8Å; Y83-A121 HydrophobicContact CE2-CB 3.88Å |
| 84 | E | 96.1 | Very high | 90 | Very high | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 105.4 | 175.2 | -167.8 | 177.4 | 149.9 | 0 | 0 | 110.5 | K62 T86 E87 | K62-E84 HydrophobicContact CB-CB 4.42Å; K62-E84 PolarHBondContact O-N 2.97Å; E84-T86 VanDerWaalsContact CG-O 3.26Å; E84-T86 WeakPolarHBondContact CG-O 3.49Å; E84-E87 WeakPolarHBondContact OE1-CA 3.35Å |
| 85 | V | 93.5 | Very high | 91.3 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 24% | 0.242 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | -42.1 | 177 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | Y83 K89 D113 | Y83-V85 HydrophobicContact CD1-CG2 4.06Å; Y83-V85 PolarHBondContact O-N 2.9Å; V85-K89 HydrophobicContact CB-CB 4.32Å; V85-K89 HydrophobicContact CB-CD 4.43Å; V85-K89 HydrophobicContact CB-CG 4.19Å; V85-K89 WeakPolarHBondContact CB-O 3.48Å; V85-K89 HydrophobicContact CG1-CD 4.44Å; V85-K89 HydrophobicContact CG2-CG 4.46Å; V85-K89 PolarHBondContact N-O 2.93Å; V85-D113 WeakPolarHBondContact CG2-O 3.42Å |
| 86 | T | 92.7 | Very high | 92.4 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.7 | 172.5 | 67.8 | 0 | 0 | 0 | 0 | 108.1 | E84 V88 K89 | E84-T86 VanDerWaalsContact CG-O 3.26Å; E84-T86 WeakPolarHBondContact CG-O 3.49Å; T86-V88 PolarHBondContact O-N 3.31Å; T86-V88 PolarHBondContact OG1-N 3.09Å; T86-K89 PolarHBondContact N-O 3.47Å; T86-K89 VanDerWaalsContact N-O 3.14Å; T86-K89 PolarHBondContact O-N 3.21Å; T86-K89 WeakPolarHBondContact OG1-CB 3.48Å; T86-K89 PolarHBondContact OG1-N 2.86Å; T86-K89 VanDerWaalsContact OG1-N 3.16Å |
| 87 | E | 91.3 | Very high | 93.2 | Very high | 184 Ų | 184 | 56.8 Ų | 56.8 | 86% | 0.86 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -22.6 | 178.3 | -61 | 178.9 | -175.8 | 0 | 0 | 114.8 | E84 | E84-E87 WeakPolarHBondContact OE1-CA 3.35Š|
| 88 | V | 91.3 | Very high | 93.5 | Very high | 138 Ų | 138 | 55.6 Ų | 55.6 | 84% | 0.836 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.2 | -4.9 | -178.8 | -60.6 | 0 | 0 | 0 | 0 | 114 | T86 | T86-V88 PolarHBondContact O-N 3.31Å; T86-V88 PolarHBondContact OG1-N 3.09Å |
| 89 | K | 92.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.5 | -173.4 | -174.2 | 174.8 | -179.6 | 153.1 | 0 | 110.8 | V85 T86 D113 | V85-K89 HydrophobicContact CB-CB 4.32Å; V85-K89 HydrophobicContact CB-CD 4.43Å; V85-K89 HydrophobicContact CB-CG 4.19Å; V85-K89 WeakPolarHBondContact CB-O 3.48Å; V85-K89 HydrophobicContact CG1-CD 4.44Å; V85-K89 HydrophobicContact CG2-CG 4.46Å; V85-K89 PolarHBondContact N-O 2.93Å; T86-K89 PolarHBondContact N-O 3.47Å; T86-K89 VanDerWaalsContact N-O 3.14Å; T86-K89 PolarHBondContact O-N 3.21Å; T86-K89 WeakPolarHBondContact OG1-CB 3.48Å; T86-K89 PolarHBondContact OG1-N 2.86Å; T86-K89 VanDerWaalsContact OG1-N 3.16Å; K89-D113 VanDerWaalsContact NZ-CB 3.33Å; K89-D113 VanDerWaalsContact NZ-CG 3.3Å; K89-D113 IonicContact NZ-OD2 3.27Å; K89-D113 PolarHBondContact NZ-OD2 3.21Å |
| 90 | V | 92.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 64.7 Ų | 64.7 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.7 | 178.2 | 179 | 0 | 0 | 0 | 0 | 109.7 | Q82 Y83 | Q82-V90 HydrophobicContact CB-CG1 3.75Å; Q82-V90 HydrophobicContact CG-CG1 4.23Å; Y83-V90 CarbonylContact O-C 3.51Å; Y83-V90 VanDerWaalsContact O-CA 3.28Å; Y83-V90 WeakPolarHBondContact O-CA 3.5Å |
| 91 | S | 92.2 | Very high | 93 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.028 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.6 | 165.9 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | Y83 W93 | Y83-S91 PolarHBondContact N-O 2.99Å; Y83-S91 PolarHBondContact O-N 3.18Å; S91-W93 PolarHBondContact OG-NE1 3.26Å |
| 92 | S | 92 | Very high | 93 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 46% | 0.462 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139 | -176.6 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | F81 | F81-S92 CarbonylContact O-C 3.44Å; F81-S92 VanDerWaalsContact O-CA 3.25Å; F81-S92 WeakPolarHBondContact O-CA 3.48Å |
| 93 | W | 93.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.8 | 176.5 | -52.9 | 90.9 | 0 | 0 | 0 | 110.4 | F81 S91 V104 I106 L111 S115 L122 | F81-W93 HydrophobicContact CB-CB 4.22Å; F81-W93 PolarHBondContact N-O 2.9Å; F81-W93 PolarHBondContact O-N 2.79Å; S91-W93 PolarHBondContact OG-NE1 3.26Å; W93-V104 HydrophobicContact CB-CG1 4.16Å; W93-V104 HydrophobicContact CE3-CG1 4.13Å; W93-I106 HydrophobicContact CE3-CD1 4.35Å; W93-I106 HydrophobicContact CZ3-CD1 3.67Å; W93-L111 HydrophobicContact CH2-CD2 3.92Å; W93-L111 HydrophobicContact CZ3-CD2 4.34Å; W93-S115 WeakPolarHBondContact CZ2-O 3.47Å; W93-L122 HydrophobicContact CB-CD1 4.12Å; W93-L122 HydrophobicContact CG-CD1 4.44Å |
| 94 | D | 94.1 | Very high | 93.1 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138 | 174.2 | -68.6 | -18.9 | 0 | 0 | 0 | 109.4 | I78 H80 E105 | I78-D94 HydrophobicContact CG2-CB 4.16Å; H80-D94 IonicContact CE1-OD1 3.6Å; H80-D94 IonicContact CG-OD1 3.74Å; H80-D94 IonicContact ND1-OD1 2.65Å; H80-D94 PolarHBondContact ND1-OD1 2.85Å; D94-E105 PolarHBondContact O-N 2.86Å |
| 95 | A | 96.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 158.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I78 V79 F81 L102 F103 V104 | I78-A95 CarbonylContact C-O 3.54Å; I78-A95 WeakPolarHBondContact CA-O 3.44Å; V79-A95 PolarHBondContact N-O 2.8Å; V79-A95 PolarHBondContact O-N 3.27Å; F81-A95 HydrophobicContact CD2-CB 4.35Å; F81-A95 HydrophobicContact CE2-CB 3.83Å; A95-L102 HydrophobicContact CB-CD1 3.69Å; A95-L102 HydrophobicContact CB-CD2 4.43Å; A95-L102 HydrophobicContact CB-CG 3.92Å; A95-F103 CarbonylContact C-O 3.58Å; A95-F103 WeakPolarHBondContact CA-O 3.35Å; A95-F103 WeakPolarHBondContact CB-O 3.3Å; A95-V104 HydrophobicContact CB-CB 4.44Å; A95-V104 HydrophobicContact CB-CG2 3.99Å |
| 96 | V | 94.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 29% | 0.291 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.9 | 171.2 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | P76 F103 | P76-V96 HydrophobicContact CB-CG1 3.84Å; P76-V96 HydrophobicContact CB-CG2 4.11Å; V96-F103 PolarHBondContact N-O 3.16Å; V96-F103 PolarHBondContact O-N 2.78Å |
| 97 | L | 92.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.7 | 171.2 | -178.7 | 64.6 | 0 | 0 | 0 | 109.5 | L102 V132 | L97-L102 HydrophobicContact CB-CD1 4.33Å; L97-L102 HydrophobicContact CD1-CD1 4.46Å; L97-V132 HydrophobicContact CD1-CG1 3.58Å |
| 98 | S | 89.4 | Confident | 92.8 | Very high | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 117.2 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | Q100 S101 | S98-Q100 PolarHBondContact O-N 3.08Å; S98-Q100 VanDerWaalsContact O-N 3.16Å; S98-S101 PolarHBondContact N-O 3.31Å; S98-S101 WeakPolarHBondContact O-CA 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 2.81Å; S98-S101 VanDerWaalsContact O-O 3.07Å |
| 99 | S | 87.3 | Confident | 92.5 | Very high | 119 Ų | 119 | 50.4 Ų | 50.4 | 83% | 0.832 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -117.7 | -174.8 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 100 | Q | 91.2 | Very high | 92.2 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 32.5 | 176.3 | -64 | 176.1 | -42 | 0 | 0 | 111.4 | S98 N133 Y134 | S98-Q100 PolarHBondContact O-N 3.08Å; S98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-N133 HydrophobicContact CB-CB 4.09Å; Q100-N133 PolarHBondContact O-N 2.61Å; Q100-N133 PolarHBondContact OE1-ND2 3.37Å; Q100-Y134 PolarHBondContact O-N 2.87Å |
| 101 | S | 94.2 | Very high | 92 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 132.2 | -176.1 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | S98 Y134 | S98-S101 PolarHBondContact N-O 3.31Å; S98-S101 WeakPolarHBondContact O-CA 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 2.81Å; S98-S101 VanDerWaalsContact O-O 3.07Å; S101-Y134 VanDerWaalsContact CA-O 3.29Å; S101-Y134 WeakPolarHBondContact CA-O 3.5Å |
| 102 | L | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.1 | 175.1 | -172 | 68.4 | 0 | 0 | 0 | 109.2 | F81 A95 L97 V104 L122 A126 M130 V132 Y134 V135 F136 | F81-L102 HydrophobicContact CE2-CD2 4.18Å; F81-L102 HydrophobicContact CZ-CD2 3.88Å; A95-L102 HydrophobicContact CB-CD1 3.69Å; A95-L102 HydrophobicContact CB-CD2 4.43Å; A95-L102 HydrophobicContact CB-CG 3.92Å; L97-L102 HydrophobicContact CB-CD1 4.33Å; L97-L102 HydrophobicContact CD1-CD1 4.46Å; L102-V104 HydrophobicContact CD2-CG2 4.31Å; L102-V104 HydrophobicContact CG-CG2 4.32Å; L102-L122 HydrophobicContact CD2-CD2 3.92Å; L102-A126 HydrophobicContact CD2-CB 4.04Å; L102-M130 HydrophobicContact CD1-SD 4.22Å; L102-M130 HydrophobicContact CD2-SD 4.25Å; L102-V132 HydrophobicContact CB-CG2 4.24Å; L102-Y134 PolarHBondContact N-O 2.96Å; L102-V135 HydrophobicContact CB-CG2 4.42Å; L102-V135 CarbonylContact O-C 3.57Å; L102-V135 WeakPolarHBondContact O-CA 3.28Å; L102-F136 PolarHBondContact O-N 2.81Å |
| 103 | F | 96.5 | Very high | 91.2 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 104.3 | -179.8 | -67.1 | -95.1 | 0 | 0 | 0 | 110 | A95 V96 F136 C167 V168 F176 | A95-F103 CarbonylContact C-O 3.58Å; A95-F103 WeakPolarHBondContact CA-O 3.35Å; A95-F103 WeakPolarHBondContact CB-O 3.3Å; V96-F103 PolarHBondContact N-O 3.16Å; V96-F103 PolarHBondContact O-N 2.78Å; F103-F136 CarbonylContact C-O 3.58Å; F103-F136 WeakPolarHBondContact CA-O 3.45Å; F103-F136 HydrophobicContact CD1-CB 3.54Å; F103-F136 HydrophobicContact CD1-CD2 4.12Å; F103-F136 AromaticContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CE1-CB 3.76Å; F103-F136 HydrophobicContact CE1-CD1 4.33Å; F103-F136 AromaticContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CE2 4.27Å; F103-F136 AromaticContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE2-CD2 4.23Å; F103-F136 HydrophobicContact CG-CB 4.23Å; F103-F136 AromaticContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CE2 4.03Å; F103-F136 HydrophobicContact CZ-CG 4.17Å; F103-C167 VanDerWaalsContact CZ-O 3.25Å; F103-C167 WeakPolarHBondContact CZ-O 3.25Å; F103-V168 HydrophobicContact CE1-CG2 4.32Å; F103-F176 HydrophobicContact CD1-CE1 4.33Å |
| 104 | V | 97 | Very high | 91 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.1 | -179 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | W93 A95 L102 L122 V135 F136 I137 C138 | W93-V104 HydrophobicContact CB-CG1 4.16Å; W93-V104 HydrophobicContact CE3-CG1 4.13Å; A95-V104 HydrophobicContact CB-CB 4.44Å; A95-V104 HydrophobicContact CB-CG2 3.99Å; L102-V104 HydrophobicContact CD2-CG2 4.31Å; L102-V104 HydrophobicContact CG-CG2 4.32Å; V104-L122 HydrophobicContact CG1-CD1 4.24Å; V104-L122 HydrophobicContact CG2-CD1 4.01Å; V104-L122 HydrophobicContact CG2-CD2 3.92Å; V104-V135 HydrophobicContact CG2-CG1 3.99Å; V104-F136 PolarHBondContact N-O 3.5Å; V104-I137 HydrophobicContact CB-CG2 4.33Å; V104-I137 CarbonylContact O-C 3.6Å; V104-I137 VanDerWaalsContact O-CA 3.32Å; V104-I137 WeakPolarHBondContact O-CA 3.36Å; V104-C138 PolarHBondContact O-N 3.14Å |
| 105 | E | 94.5 | Very high | 90.8 | Very high | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.7 | 175.2 | -175.3 | 168.9 | -165.2 | 0 | 0 | 110.4 | D94 P107 | D94-E105 PolarHBondContact O-N 2.86Å; E105-P107 WeakPolarHBondContact O-CD 3.19Å |
| 106 | I | 94.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 118.5 | 174.7 | -50.4 | -55.9 | 0 | 0 | 0 | 108.8 | W93 L111 I137 C138 F139 R143 L149 F153 | W93-I106 HydrophobicContact CE3-CD1 4.35Å; W93-I106 HydrophobicContact CZ3-CD1 3.67Å; I106-L111 HydrophobicContact CG2-CD2 3.67Å; I106-I137 HydrophobicContact CD1-CB 3.96Å; I106-I137 HydrophobicContact CD1-CG2 3.91Å; I106-I137 HydrophobicContact CG1-CB 4.15Å; I106-C138 PolarHBondContact N-O 2.77Å; I106-F139 HydrophobicContact CB-CB 4.1Å; I106-F139 HydrophobicContact CG1-CB 4.5Å; I106-F139 HydrophobicContact CG1-CD1 4.25Å; I106-R143 PolarHBondContact O-NH1 3.31Å; I106-L149 HydrophobicContact CG2-CD2 4.29Å; I106-F153 HydrophobicContact CD1-CE1 4.18Å; I106-F153 HydrophobicContact CD1-CE2 4.14Å; I106-F153 HydrophobicContact CD1-CZ 3.52Å; I106-F153 HydrophobicContact CG1-CE2 4.09Å; I106-F153 HydrophobicContact CG1-CZ 3.99Å; I106-F153 HydrophobicContact CG2-CE2 4.49Å; I106-F153 HydrophobicContact CG2-CZ 4.44Å |
| 107 | P | 89.1 | Confident | 90.6 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 150.2 | -177.3 | 26 | -34.4 | 0 | 0 | 0 | 111.9 | E105 R143 | E105-P107 WeakPolarHBondContact O-CD 3.19Å; P107-R143 VanDerWaalsContact C-NH1 3.25Å; P107-R143 PolarHBondContact O-NH1 2.98Å; P107-R143 PolarHBondContact O-NH2 3.02Å; P107-R143 VanDerWaalsContact O-NH2 3.09Å |
| 108 | D | 87.7 | Confident | 90.7 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -64 | 139.4 | 175.8 | -69.8 | -44.1 | 0 | 0 | 0 | 112.3 | R140 R143 | D108-R140 VanDerWaalsContact CG-NH2 3.26Å; D108-R140 IonicContact OD1-CZ 2.86Å; D108-R140 IonicContact OD1-NE 2.78Å; D108-R140 IonicContact OD1-NH2 3.61Å; D108-R140 PolarHBondContact OD1-NH2 2.97Å; D108-R140 IonicContact OD2-CZ 3.89Å; D108-R140 IonicContact OD2-NE 3.72Å; D108-R140 IonicContact OD2-NH2 3.35Å; D108-R140 PolarHBondContact OD2-NH2 3.4Å; D108-R143 IonicContact OD1-CZ 2.61Å; D108-R143 IonicContact OD1-NH1 3.72Å; D108-R143 PolarHBondContact OD1-NH1 3.36Å |
| 109 | G | 86.8 | Confident | 91 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 94.6 | -170.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R143 | G109-R143 PolarHBondContact O-NH2 2.96Š|
| 110 | L | 86 | Confident | 91.3 | Very high | 159 Ų | 159 | 54.9 Ų | 54.9 | 83% | 0.832 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -67 | 142.2 | -179 | -61.3 | 176.3 | 0 | 0 | 0 | 110.6 | A112 | L110-A112 PolarHBondContact O-N 2.84Š|
| 111 | L | 87.3 | Confident | 91.6 | Very high | 45 Ų | 45 | 50.5 Ų | 50.5 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -58 | 132.4 | 170.7 | -60.7 | -178.3 | 0 | 0 | 0 | 109.5 | W93 I106 L149 F153 | W93-L111 HydrophobicContact CH2-CD2 3.92Å; W93-L111 HydrophobicContact CZ3-CD2 4.34Å; I106-L111 HydrophobicContact CG2-CD2 3.67Å; L111-L149 HydrophobicContact CD1-CD2 4.26Å; L111-L149 HydrophobicContact CD2-CD2 4.23Å; L111-L149 HydrophobicContact CG-CD2 4.16Å; L111-F153 HydrophobicContact CD1-CZ 4.27Å |
| 112 | A | 83.9 | Confident | 91.7 | Very high | 50 Ų | 50 | 50.2 Ų | 50.2 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 153.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L110 G114 S115 | L110-A112 PolarHBondContact O-N 2.84Å; A112-G114 PolarHBondContact O-N 2.78Å; A112-S115 WeakPolarHBondContact O-CB 3.45Å; A112-S115 PolarHBondContact O-N 2.82Å; A112-S115 PolarHBondContact O-OG 3.15Å |
| 113 | D | 84.6 | Confident | 91.7 | Very high | 114 Ų | 114 | 50.8 Ų | 50.8 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 140.8 | 171.4 | -48.4 | -43 | 0 | 0 | 0 | 110.4 | V85 K89 S115 | V85-D113 WeakPolarHBondContact CG2-O 3.42Å; K89-D113 VanDerWaalsContact NZ-CB 3.33Å; K89-D113 VanDerWaalsContact NZ-CG 3.3Å; K89-D113 IonicContact NZ-OD2 3.27Å; K89-D113 PolarHBondContact NZ-OD2 3.21Å; D113-S115 VanDerWaalsContact C-N 3.26Å |
| 114 | G | 87.9 | Confident | 91.7 | Very high | 12 Ų | 12 | 55 Ų | 55 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 2.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A112 K116 E117 G118 | A112-G114 PolarHBondContact O-N 2.78Å; G114-K116 PolarHBondContact O-N 2.98Å; G114-E117 WeakPolarHBondContact CA-OE2 3.26Å; G114-E117 PolarHBondContact O-N 3.3Å; G114-G118 PolarHBondContact O-N 2.84Å |
| 115 | S | 89.6 | Confident | 91.6 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -34.9 | 177 | 62 | 0 | 0 | 0 | 0 | 112.7 | W93 A112 D113 L119 | W93-S115 WeakPolarHBondContact CZ2-O 3.47Å; A112-S115 WeakPolarHBondContact O-CB 3.45Å; A112-S115 PolarHBondContact O-N 2.82Å; A112-S115 PolarHBondContact O-OG 3.15Å; D113-S115 VanDerWaalsContact C-N 3.26Å; S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 PolarHBondContact O-N 3.27Å |
| 116 | K | 92 | Very high | 91.7 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.2 | -53.1 | -179.9 | -179.8 | -169.5 | 171.1 | -165.7 | 0 | 110.4 | G114 G118 L119 L120 | G114-K116 PolarHBondContact O-N 2.98Å; K116-G118 VanDerWaalsContact C-N 3.32Å; K116-G118 PolarHBondContact O-N 2.82Å; K116-L119 PolarHBondContact O-N 2.92Å; K116-L120 HydrophobicContact CG-CD1 4.42Å; K116-L120 WeakPolarHBondContact O-CG 3.07Å; K116-L120 PolarHBondContact O-N 3.42Å |
| 117 | E | 94.3 | Very high | 91.7 | Very high | 84 Ų | 84 | 53.4 Ų | 53.4 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | -179.5 | -65.1 | 67.2 | -147.7 | 0 | 0 | 110.7 | Y83 G114 L120 A121 | Y83-E117 HydrophobicContact CE1-CB 3.7Å; G114-E117 WeakPolarHBondContact CA-OE2 3.26Å; G114-E117 PolarHBondContact O-N 3.3Å; E117-L120 PolarHBondContact O-N 2.84Å; E117-A121 PolarHBondContact O-N 2.83Å |
| 118 | G | 94.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G114 K116 L122 | G114-G118 PolarHBondContact O-N 2.84Å; K116-G118 VanDerWaalsContact C-N 3.32Å; K116-G118 PolarHBondContact O-N 2.82Å; G118-L122 WeakPolarHBondContact O-CB 3.49Å; G118-L122 PolarHBondContact O-N 3.41Å |
| 119 | L | 95.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 174.6 | -178.5 | 65.2 | 0 | 0 | 0 | 112 | S115 K116 L122 L123 F153 L156 F158 | S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 PolarHBondContact O-N 3.27Å; K116-L119 PolarHBondContact O-N 2.92Å; L119-L122 WeakPolarHBondContact O-CB 3.28Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-L123 WeakPolarHBondContact O-CG 3.41Å; L119-L123 PolarHBondContact O-N 2.85Å; L119-F153 HydrophobicContact CD2-CD1 4.17Å; L119-F153 HydrophobicContact CD2-CE1 3.73Å; L119-L156 HydrophobicContact CD2-CD1 3.82Å; L119-F158 HydrophobicContact CD2-CE2 4.28Å |
| 120 | L | 95.5 | Very high | 92.5 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 45% | 0.45 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.6 | -69.3 | 174.3 | 0 | 0 | 0 | 111.4 | K116 E117 L122 L123 E124 | K116-L120 HydrophobicContact CG-CD1 4.42Å; K116-L120 WeakPolarHBondContact O-CG 3.07Å; K116-L120 PolarHBondContact O-N 3.42Å; E117-L120 PolarHBondContact O-N 2.84Å; L120-L122 VanDerWaalsContact C-N 3.28Å; L120-L122 PolarHBondContact O-N 2.94Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-E124 PolarHBondContact O-N 3.08Å |
| 121 | A | 96.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L63 Y83 E117 F125 | L63-A121 HydrophobicContact CD2-CB 4.42Å; Y83-A121 HydrophobicContact CD2-CB 3.8Å; Y83-A121 HydrophobicContact CE2-CB 3.88Å; E117-A121 PolarHBondContact O-N 2.83Å; A121-F125 WeakPolarHBondContact O-CB 3.17Å; A121-F125 PolarHBondContact O-N 2.93Å |
| 122 | L | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.3 | -178.2 | 159.6 | 0 | 0 | 0 | 111.6 | F81 W93 L102 V104 G118 L119 L120 F125 A126 V135 | F81-L122 HydrophobicContact CB-CD1 4.09Å; F81-L122 HydrophobicContact CD1-CB 4.24Å; F81-L122 HydrophobicContact CD1-CD1 3.95Å; F81-L122 HydrophobicContact CD1-CG 3.8Å; F81-L122 HydrophobicContact CD2-CD1 3.67Å; F81-L122 HydrophobicContact CD2-CG 4.27Å; F81-L122 HydrophobicContact CE1-CD1 4.29Å; F81-L122 HydrophobicContact CE1-CG 3.84Å; F81-L122 HydrophobicContact CE2-CD1 4.05Å; F81-L122 HydrophobicContact CE2-CG 4.32Å; F81-L122 HydrophobicContact CG-CD1 3.62Å; F81-L122 HydrophobicContact CG-CG 4.02Å; F81-L122 HydrophobicContact CZ-CD1 4.35Å; F81-L122 HydrophobicContact CZ-CG 4.11Å; W93-L122 HydrophobicContact CB-CD1 4.12Å; W93-L122 HydrophobicContact CG-CD1 4.44Å; L102-L122 HydrophobicContact CD2-CD2 3.92Å; V104-L122 HydrophobicContact CG1-CD1 4.24Å; V104-L122 HydrophobicContact CG2-CD1 4.01Å; V104-L122 HydrophobicContact CG2-CD2 3.92Å; G118-L122 WeakPolarHBondContact O-CB 3.49Å; G118-L122 PolarHBondContact O-N 3.41Å; L119-L122 WeakPolarHBondContact O-CB 3.28Å; L119-L122 PolarHBondContact O-N 3.15Å; L120-L122 VanDerWaalsContact C-N 3.28Å; L120-L122 PolarHBondContact O-N 2.94Å; L122-F125 PolarHBondContact O-N 2.93Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.16Å; L122-V135 HydrophobicContact CD2-CG1 4.36Å |
| 123 | L | 96.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 179 | -71.6 | 174.9 | 0 | 0 | 0 | 111.3 | L119 L120 F125 A126 E127 V135 F158 Y179 | L119-L123 WeakPolarHBondContact O-CG 3.41Å; L119-L123 PolarHBondContact O-N 2.85Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-F125 PolarHBondContact O-N 2.86Å; L123-A126 WeakPolarHBondContact O-CB 3.39Å; L123-A126 PolarHBondContact O-N 3.31Å; L123-E127 PolarHBondContact O-N 3.37Å; L123-V135 HydrophobicContact CD2-CB 3.81Å; L123-V135 HydrophobicContact CD2-CG1 3.86Å; L123-V135 HydrophobicContact CD2-CG2 3.81Å; L123-F158 HydrophobicContact CD1-CE2 4.38Å; L123-F158 HydrophobicContact CD2-CZ 4.19Å; L123-Y179 HydrophobicContact CD2-CD1 4.15Å; L123-Y179 HydrophobicContact CD2-CG 4.39Å |
| 124 | E | 95.4 | Very high | 94.2 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 175.2 | -178.7 | 177.9 | -172.2 | 0 | 0 | 111.2 | L120 A126 E127 E128 | L120-E124 PolarHBondContact O-N 3.08Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 3.14Å; E124-E127 PolarHBondContact O-N 2.81Å; E124-E128 HydrophobicContact CG-CG 4.34Å; E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 WeakPolarHBondContact O-CG 3.11Å; E124-E128 PolarHBondContact O-N 3.31Å |
| 125 | F | 95.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 176.2 | 177.2 | -92 | 0 | 0 | 0 | 112.8 | I57 Y58 L63 V65 F81 A121 L122 L123 E127 K129 M130 | I57-F125 HydrophobicContact CG2-CZ 4.42Å; Y58-F125 AromaticContact CD1-CD2 3.57Å; Y58-F125 HydrophobicContact CD1-CD2 3.57Å; Y58-F125 AromaticContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD2-CD2 4.47Å; Y58-F125 AromaticContact CD2-CE2 4Å; Y58-F125 HydrophobicContact CD2-CE2 4Å; Y58-F125 AromaticContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CE2 4.28Å; Y58-F125 AromaticContact CG-CD2 3.87Å; Y58-F125 HydrophobicContact CG-CD2 3.87Å; Y58-F125 AromaticContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CZ 4.35Å; L63-F125 HydrophobicContact CD2-CB 3.74Å; L63-F125 HydrophobicContact CD2-CD2 4.28Å; L63-F125 HydrophobicContact CD2-CG 4.11Å; V65-F125 HydrophobicContact CB-CE1 4.38Å; V65-F125 HydrophobicContact CB-CZ 4.15Å; V65-F125 HydrophobicContact CG1-CE1 3.94Å; V65-F125 HydrophobicContact CG1-CZ 4.04Å; V65-F125 HydrophobicContact CG2-CD1 4.27Å; V65-F125 HydrophobicContact CG2-CD2 4.26Å; V65-F125 HydrophobicContact CG2-CE1 4.01Å; V65-F125 HydrophobicContact CG2-CE2 4.11Å; V65-F125 HydrophobicContact CG2-CG 4.34Å; V65-F125 HydrophobicContact CG2-CZ 3.95Å; F81-F125 AromaticContact CE1-CD1 3.49Å; F81-F125 HydrophobicContact CE1-CD1 3.49Å; F81-F125 VanDerWaalsContact CE1-CD1 3.49Å; F81-F125 AromaticContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CG 4.32Å; F81-F125 HydrophobicContact CZ-CD1 4.14Å; F81-F125 HydrophobicContact CZ-CE1 4.26Å; A121-F125 WeakPolarHBondContact O-CB 3.17Å; A121-F125 PolarHBondContact O-N 2.93Å; L122-F125 PolarHBondContact O-N 2.93Å; L123-F125 PolarHBondContact O-N 2.86Å; F125-E127 VanDerWaalsContact C-N 3.32Å; F125-E127 PolarHBondContact O-N 2.86Å; F125-K129 HydrophobicContact CD2-CB 3.7Å; F125-K129 HydrophobicContact CD2-CG 3.45Å; F125-K129 VanDerWaalsContact CD2-CG 3.45Å; F125-K129 HydrophobicContact CE2-CB 3.51Å; F125-K129 HydrophobicContact CE2-CG 3.63Å; F125-K129 HydrophobicContact CG-CB 4.31Å; F125-K129 HydrophobicContact CG-CG 4.27Å; F125-K129 HydrophobicContact CZ-CB 4.06Å; F125-K129 WeakPolarHBondContact O-CA 3.46Å; F125-K129 WeakPolarHBondContact O-CB 3.31Å; F125-K129 PolarHBondContact O-N 3.02Å; F125-M130 HydrophobicContact CD1-CG 3.92Å; F125-M130 HydrophobicContact CD1-SD 4.03Å; F125-M130 HydrophobicContact CE1-CE 3.76Å; F125-M130 HydrophobicContact CE1-CG 3.43Å; F125-M130 VanDerWaalsContact CE1-CG 3.43Å; F125-M130 HydrophobicContact CE1-SD 3.63Å; F125-M130 HydrophobicContact CZ-CG 4.12Å; F125-M130 PolarHBondContact O-N 2.76Å; F125-M130 VanDerWaalsContact O-N 3.09Å |
| 126 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L102 L122 L123 E124 M130 K131 V132 V135 L181 | L102-A126 HydrophobicContact CD2-CB 4.04Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.16Å; L123-A126 WeakPolarHBondContact O-CB 3.39Å; L123-A126 PolarHBondContact O-N 3.31Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 3.14Å; A126-M130 CarbonylContact O-C 3.55Å; A126-M130 WeakPolarHBondContact O-CB 3.34Å; A126-K131 PolarHBondContact O-N 3.47Å; A126-V132 HydrophobicContact CB-CG2 3.81Å; A126-V132 PolarHBondContact O-N 2.94Å; A126-V135 HydrophobicContact CB-CG2 3.9Å; A126-L181 HydrophobicContact CB-CD1 4.12Å |
| 127 | E | 94.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -74.2 | -51.5 | 177.5 | -170.9 | 179.3 | 165.4 | 0 | 0 | 112.4 | L123 E124 F125 K131 L181 | L123-E127 PolarHBondContact O-N 3.37Å; E124-E127 PolarHBondContact O-N 2.81Å; F125-E127 VanDerWaalsContact C-N 3.32Å; F125-E127 PolarHBondContact O-N 2.86Å; E127-K131 WeakPolarHBondContact O-CD 3.42Å; E127-K131 PolarHBondContact O-NZ 2.88Å; E127-K131 VanDerWaalsContact O-NZ 3.1Å; E127-L181 HydrophobicContact CB-CD1 4.01Å; E127-L181 HydrophobicContact CB-CD2 4.14Å; E127-L181 HydrophobicContact CG-CB 4.49Å |
| 128 | E | 94 | Very high | 95.3 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -79 | -41.4 | -170.8 | -69.9 | -158.5 | 162.1 | 0 | 0 | 113.1 | E124 K131 | E124-E128 HydrophobicContact CG-CG 4.34Å; E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 WeakPolarHBondContact O-CG 3.11Å; E124-E128 PolarHBondContact O-N 3.31Å; E128-K131 WeakPolarHBondContact O-CE 3.09Å; E128-K131 PolarHBondContact O-NZ 3.16Å |
| 129 | K | 93.7 | Very high | 95.3 | Very high | 104 Ų | 104 | 40 Ų | 40 | 45% | 0.452 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -43.3 | -169.3 | -47.3 | -52 | -177.9 | -143 | 0 | 112 | F125 | F125-K129 HydrophobicContact CD2-CB 3.7Å; F125-K129 HydrophobicContact CD2-CG 3.45Å; F125-K129 VanDerWaalsContact CD2-CG 3.45Å; F125-K129 HydrophobicContact CE2-CB 3.51Å; F125-K129 HydrophobicContact CE2-CG 3.63Å; F125-K129 HydrophobicContact CG-CB 4.31Å; F125-K129 HydrophobicContact CG-CG 4.27Å; F125-K129 HydrophobicContact CZ-CB 4.06Å; F125-K129 WeakPolarHBondContact O-CA 3.46Å; F125-K129 WeakPolarHBondContact O-CB 3.31Å; F125-K129 PolarHBondContact O-N 3.02Å |
| 130 | M | 93.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 21% | 0.212 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -85.1 | -19.6 | 179.6 | -62.8 | -175.6 | 137.6 | 0 | 0 | 113.7 | V79 F81 L102 F125 A126 V132 | V79-M130 HydrophobicContact CB-CE 4.42Å; V79-M130 HydrophobicContact CG1-CE 3.83Å; V79-M130 HydrophobicContact CG2-CE 4Å; F81-M130 HydrophobicContact CZ-CE 4.34Å; F81-M130 HydrophobicContact CZ-SD 4.25Å; L102-M130 HydrophobicContact CD1-SD 4.22Å; L102-M130 HydrophobicContact CD2-SD 4.25Å; F125-M130 HydrophobicContact CD1-CG 3.92Å; F125-M130 HydrophobicContact CD1-SD 4.03Å; F125-M130 HydrophobicContact CE1-CE 3.76Å; F125-M130 HydrophobicContact CE1-CG 3.43Å; F125-M130 VanDerWaalsContact CE1-CG 3.43Å; F125-M130 HydrophobicContact CE1-SD 3.63Å; F125-M130 HydrophobicContact CZ-CG 4.12Å; F125-M130 PolarHBondContact O-N 2.76Å; F125-M130 VanDerWaalsContact O-N 3.09Å; A126-M130 CarbonylContact O-C 3.55Å; A126-M130 WeakPolarHBondContact O-CB 3.34Å; M130-V132 VanDerWaalsContact C-N 3.25Å; M130-V132 HydrophobicContact CB-CG1 3.88Å; M130-V132 PolarHBondContact O-N 3.25Å |
| 131 | K | 93.2 | Very high | 95.1 | Very high | 129 Ų | 129 | 46.4 Ų | 46.4 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | trans | 52.7 | 43.7 | -178.9 | -58.8 | -71.3 | 168.2 | -147.4 | 0 | 112.1 | A126 E127 E128 Q183 | A126-K131 PolarHBondContact O-N 3.47Å; E127-K131 WeakPolarHBondContact O-CD 3.42Å; E127-K131 PolarHBondContact O-NZ 2.88Å; E127-K131 VanDerWaalsContact O-NZ 3.1Å; E128-K131 WeakPolarHBondContact O-CE 3.09Å; E128-K131 PolarHBondContact O-NZ 3.16Å; K131-Q183 PolarHBondContact O-NE2 3.31Å | ||
| 132 | V | 94.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -85.1 | 151.5 | 173.9 | -55 | 0 | 0 | 0 | 0 | 110.5 | L97 L102 A126 M130 V135 L181 Q183 | L97-V132 HydrophobicContact CD1-CG1 3.58Å; L102-V132 HydrophobicContact CB-CG2 4.24Å; A126-V132 HydrophobicContact CB-CG2 3.81Å; A126-V132 PolarHBondContact O-N 2.94Å; M130-V132 VanDerWaalsContact C-N 3.25Å; M130-V132 HydrophobicContact CB-CG1 3.88Å; M130-V132 PolarHBondContact O-N 3.25Å; V132-V135 HydrophobicContact CG2-CG2 4.15Å; V132-L181 HydrophobicContact CG2-CD1 3.6Å; V132-L181 WeakPolarHBondContact O-CD1 3.44Å; V132-Q183 PolarHBondContact O-NE2 3.39Å | ||
| 133 | N | 94 | Very high | 94.7 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -86.1 | -31.5 | -179.9 | -88.4 | -41.7 | 0 | 0 | 0 | 111.7 | Q100 L181 Q183 | Q100-N133 HydrophobicContact CB-CB 4.09Å; Q100-N133 PolarHBondContact O-N 2.61Å; Q100-N133 PolarHBondContact OE1-ND2 3.37Å; N133-L181 PolarHBondContact O-N 2.96Å; N133-Q183 VanDerWaalsContact CG-CD 3.47Å; N133-Q183 VanDerWaalsContact N-NE2 3.16Å; N133-Q183 WeakPolarHBondContact OD1-CG 3.23Å; N133-Q183 PolarHBondContact OD1-NE2 2.88Å; N133-Q183 VanDerWaalsContact OD1-NE2 3.08Å; N133-Q183 PolarHBondContact OD1-OE1 2.98Å; N133-Q183 VanDerWaalsContact OD1-OE1 3.06Å |
| 134 | Y | 95.5 | Very high | 94.6 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 35% | 0.349 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 138.2 | -172.9 | -56.6 | -77.6 | 0 | 0 | 0 | 110.5 | Q100 S101 L102 F136 V178 P180 | Q100-Y134 PolarHBondContact O-N 2.87Å; S101-Y134 VanDerWaalsContact CA-O 3.29Å; S101-Y134 WeakPolarHBondContact CA-O 3.5Å; L102-Y134 PolarHBondContact N-O 2.96Å; Y134-F136 VanDerWaalsContact CB-CE2 3.5Å; Y134-F136 HydrophobicContact CG-CE2 4.23Å; Y134-F136 HydrophobicContact CG-CZ 4.45Å; Y134-V178 HydrophobicContact CD1-CG2 3.93Å; Y134-V178 HydrophobicContact CG-CG2 4.45Å; Y134-P180 HydrophobicContact CD1-CB 4.34Å; Y134-P180 HydrophobicContact CE1-CB 4.33Å |
| 135 | V | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.4 | 164.3 | -178.4 | 0 | 0 | 0 | 0 | 108 | L102 V104 L122 L123 A126 V132 F158 V178 Y179 L181 | L102-V135 HydrophobicContact CB-CG2 4.42Å; L102-V135 CarbonylContact O-C 3.57Å; L102-V135 WeakPolarHBondContact O-CA 3.28Å; V104-V135 HydrophobicContact CG2-CG1 3.99Å; L122-V135 HydrophobicContact CD2-CG1 4.36Å; L123-V135 HydrophobicContact CD2-CB 3.81Å; L123-V135 HydrophobicContact CD2-CG1 3.86Å; L123-V135 HydrophobicContact CD2-CG2 3.81Å; A126-V135 HydrophobicContact CB-CG2 3.9Å; V132-V135 HydrophobicContact CG2-CG2 4.15Å; V135-F158 HydrophobicContact CG1-CE1 4.46Å; V135-V178 CarbonylContact O-C 3.41Å; V135-V178 WeakPolarHBondContact O-CA 3.2Å; V135-Y179 PolarHBondContact N-O 3.2Å; V135-Y179 PolarHBondContact O-N 2.94Å; V135-L181 HydrophobicContact CG2-CD1 3.81Å; V135-L181 HydrophobicContact CG2-CG 4.25Å |
| 136 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.1 | 172.4 | -66.9 | -88.5 | 0 | 0 | 0 | 109.1 | L102 F103 V104 Y134 V161 H165 C167 V168 M177 V178 | L102-F136 PolarHBondContact O-N 2.81Å; F103-F136 CarbonylContact C-O 3.58Å; F103-F136 WeakPolarHBondContact CA-O 3.45Å; F103-F136 HydrophobicContact CD1-CB 3.54Å; F103-F136 HydrophobicContact CD1-CD2 4.12Å; F103-F136 AromaticContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CE1-CB 3.76Å; F103-F136 HydrophobicContact CE1-CD1 4.33Å; F103-F136 AromaticContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CE2 4.27Å; F103-F136 AromaticContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE2-CD2 4.23Å; F103-F136 HydrophobicContact CG-CB 4.23Å; F103-F136 AromaticContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CE2 4.03Å; F103-F136 HydrophobicContact CZ-CG 4.17Å; V104-F136 PolarHBondContact N-O 3.5Å; Y134-F136 VanDerWaalsContact CB-CE2 3.5Å; Y134-F136 HydrophobicContact CG-CE2 4.23Å; Y134-F136 HydrophobicContact CG-CZ 4.45Å; F136-V161 HydrophobicContact CD1-CG2 3.85Å; F136-V161 HydrophobicContact CE1-CG2 3.77Å; F136-H165 AromaticContact CZ-CE1 3.83Å; F136-C167 HydrophobicContact CE2-CB 4.06Å; F136-C167 HydrophobicContact CZ-CB 3.95Å; F136-V168 HydrophobicContact CD1-CG2 3.71Å; F136-V168 HydrophobicContact CE1-CG2 3.38Å; F136-V168 HydrophobicContact CG-CG2 4.49Å; F136-V168 HydrophobicContact CZ-CG2 3.94Å; F136-M177 CarbonylContact C-O 3.52Å; F136-M177 VanDerWaalsContact CA-O 3.28Å; F136-M177 WeakPolarHBondContact CA-O 3.15Å; F136-V178 HydrophobicContact CD1-CB 3.75Å; F136-V178 HydrophobicContact CD1-CG2 3.91Å; F136-V178 HydrophobicContact CE1-CB 3.57Å; F136-V178 HydrophobicContact CE1-CG2 3.5Å; F136-V178 HydrophobicContact CE2-CG2 4.31Å; F136-V178 HydrophobicContact CG-CG2 4.47Å; F136-V178 HydrophobicContact CZ-CB 4.3Å; F136-V178 HydrophobicContact CZ-CG2 3.72Å |
| 137 | I | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 145 | 162 | 58.4 | 170.8 | 0 | 0 | 0 | 109.4 | V104 I106 F153 F158 F176 M177 | V104-I137 HydrophobicContact CB-CG2 4.33Å; V104-I137 CarbonylContact O-C 3.6Å; V104-I137 VanDerWaalsContact O-CA 3.32Å; V104-I137 WeakPolarHBondContact O-CA 3.36Å; I106-I137 HydrophobicContact CD1-CB 3.96Å; I106-I137 HydrophobicContact CD1-CG2 3.91Å; I106-I137 HydrophobicContact CG1-CB 4.15Å; I137-F153 HydrophobicContact CD1-CB 3.56Å; I137-F153 HydrophobicContact CD1-CD1 3.38Å; I137-F153 HydrophobicContact CD1-CD2 3.29Å; I137-F153 HydrophobicContact CD1-CE1 3.8Å; I137-F153 HydrophobicContact CD1-CE2 3.73Å; I137-F153 HydrophobicContact CD1-CG 3.11Å; I137-F153 HydrophobicContact CD1-CZ 3.98Å; I137-F158 HydrophobicContact CB-CE1 4.34Å; I137-F158 HydrophobicContact CD1-CD1 4.02Å; I137-F158 HydrophobicContact CD1-CE1 4.38Å; I137-F158 HydrophobicContact CD1-CG 4.25Å; I137-F158 HydrophobicContact CG1-CD1 3.83Å; I137-F158 HydrophobicContact CG1-CE1 4.06Å; I137-F158 HydrophobicContact CG2-CD1 4.24Å; I137-F158 HydrophobicContact CG2-CE1 3.58Å; I137-F158 HydrophobicContact CG2-CZ 3.93Å; I137-F176 WeakPolarHBondContact O-CA 3.32Å; I137-M177 HydrophobicContact CD1-CB 3.91Å; I137-M177 HydrophobicContact CD1-CG 4.21Å; I137-M177 HydrophobicContact CD1-SD 3.91Å; I137-M177 HydrophobicContact CG1-CB 3.65Å; I137-M177 HydrophobicContact CG1-CG 4.26Å; I137-M177 PolarHBondContact N-O 3.42Å; I137-M177 PolarHBondContact O-N 2.78Å |
| 138 | C | 95 | Very high | 94.4 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 14% | 0.142 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.3 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | V104 I106 V174 M175 F176 | V104-C138 PolarHBondContact O-N 3.14Å; I106-C138 PolarHBondContact N-O 2.77Å; C138-V174 HydrophobicContact CB-CG1 3.75Å; C138-M175 VanDerWaalsContact CA-O 3.31Å; C138-M175 WeakPolarHBondContact CA-O 3.29Å; C138-F176 HydrophobicContact CB-CD1 3.59Å; C138-F176 HydrophobicContact CB-CE1 3.53Å; C138-F176 HydrophobicContact CB-CG 4.46Å; C138-F176 HydrophobicContact CB-CZ 4.37Å |
| 139 | F | 94.9 | Very high | 94.4 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 2% | 0.022 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 158.3 | 175.8 | 59.1 | -92.5 | 0 | 0 | 0 | 111.7 | I106 R146 L149 L150 M175 M177 | I106-F139 HydrophobicContact CB-CB 4.1Å; I106-F139 HydrophobicContact CG1-CB 4.5Å; I106-F139 HydrophobicContact CG1-CD1 4.25Å; F139-R146 HydrophobicContact CE2-CG 4.11Å; F139-L149 HydrophobicContact CD2-CD1 4.27Å; F139-L149 HydrophobicContact CE2-CD1 4.43Å; F139-L149 HydrophobicContact CG-CD1 4.41Å; F139-L149 HydrophobicContact CZ-CB 4.34Å; F139-L150 HydrophobicContact CZ-CD2 4.07Å; F139-L150 HydrophobicContact CZ-CG 4.26Å; F139-M175 HydrophobicContact CD2-CB 4.21Å; F139-M175 HydrophobicContact CE1-CB 4.42Å; F139-M175 HydrophobicContact CE1-CG 4.36Å; F139-M175 HydrophobicContact CE2-CB 3.82Å; F139-M175 HydrophobicContact CE2-CG 4.09Å; F139-M175 HydrophobicContact CE2-SD 3.86Å; F139-M175 HydrophobicContact CZ-CB 3.94Å; F139-M175 HydrophobicContact CZ-CG 3.79Å; F139-M175 HydrophobicContact CZ-SD 3.7Å; F139-M175 PolarHBondContact N-O 2.91Å; F139-M175 VanDerWaalsContact N-O 3.12Å; F139-M175 PolarHBondContact O-N 3.43Å; F139-M177 HydrophobicContact CE1-SD 4.42Å |
| 140 | R | 94.2 | Very high | 94.5 | Very high | 139 Ų | 139 | 56.1 Ų | 56.1 | 53% | 0.525 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 134.9 | -179 | -65.2 | -171.6 | -75.2 | 145.3 | -10.3 | 111.5 | D108 G142 R143 | D108-R140 VanDerWaalsContact CG-NH2 3.26Å; D108-R140 IonicContact OD1-CZ 2.86Å; D108-R140 IonicContact OD1-NE 2.78Å; D108-R140 IonicContact OD1-NH2 3.61Å; D108-R140 PolarHBondContact OD1-NH2 2.97Å; D108-R140 IonicContact OD2-CZ 3.89Å; D108-R140 IonicContact OD2-NE 3.72Å; D108-R140 IonicContact OD2-NH2 3.35Å; D108-R140 PolarHBondContact OD2-NH2 3.4Å; R140-G142 PolarHBondContact O-N 2.82Å; R140-R143 HydrophobicContact CB-CG 4.31Å; R140-R143 VanDerWaalsContact O-CG 3.32Å; R140-R143 WeakPolarHBondContact O-CG 3.25Å; R140-R143 PolarHBondContact O-N 2.84Å |
| 141 | K | 92.5 | Very high | 94.6 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.2 | 179.8 | -75 | -175.6 | -173.7 | 169.6 | 0 | 114.2 | R143 P172 D173 V174 M175 | K141-R143 VanDerWaalsContact C-N 3.29Å; K141-R143 PolarHBondContact O-N 3.5Å; K141-P172 VanDerWaalsContact CD-O 3.26Å; K141-P172 WeakPolarHBondContact CD-O 3.48Å; K141-P172 WeakPolarHBondContact CE-O 3.47Å; K141-P172 PolarHBondContact NZ-O 2.75Å; K141-D173 PolarHBondContact N-O 2.86Å; K141-V174 WeakPolarHBondContact CE-O 3.32Å; K141-M175 HydrophobicContact CG-CB 4.02Å; K141-M175 HydrophobicContact CG-CE 4.45Å |
| 142 | G | 92.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 57.4 Ų | 57.4 | 81% | 0.814 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 9.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | R140 | R140-G142 PolarHBondContact O-N 2.82Š|
| 143 | R | 92.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | trans | -73.7 | 140.6 | 179.8 | -65.3 | 173 | 64.7 | 129.5 | -4.3 | 112.2 | I106 P107 D108 G109 R140 K141 D145 R146 | I106-R143 PolarHBondContact O-NH1 3.31Å; P107-R143 VanDerWaalsContact C-NH1 3.25Å; P107-R143 PolarHBondContact O-NH1 2.98Å; P107-R143 PolarHBondContact O-NH2 3.02Å; P107-R143 VanDerWaalsContact O-NH2 3.09Å; D108-R143 IonicContact OD1-CZ 2.61Å; D108-R143 IonicContact OD1-NH1 3.72Å; D108-R143 PolarHBondContact OD1-NH1 3.36Å; G109-R143 PolarHBondContact O-NH2 2.96Å; R140-R143 HydrophobicContact CB-CG 4.31Å; R140-R143 VanDerWaalsContact O-CG 3.32Å; R140-R143 WeakPolarHBondContact O-CG 3.25Å; R140-R143 PolarHBondContact O-N 2.84Å; K141-R143 VanDerWaalsContact C-N 3.29Å; K141-R143 PolarHBondContact O-N 3.5Å; R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 WeakPolarHBondContact CB-OD1 3.5Å; R143-D145 IonicContact CZ-OD1 3.22Å; R143-D145 IonicContact CZ-OD2 2.7Å; R143-D145 IonicContact NE-OD1 3.99Å; R143-D145 PolarHBondContact NE-OD1 2.86Å; R143-D145 IonicContact NE-OD2 3.54Å; R143-D145 IonicContact NH2-OD1 3.92Å; R143-D145 PolarHBondContact NH2-OD1 2.79Å; R143-D145 IonicContact NH2-OD2 3.72Å; R143-D145 PolarHBondContact NH2-OD2 3.04Å; R143-D145 PolarHBondContact O-N 2.77Å; R143-R146 WeakPolarHBondContact O-CB 3.4Å; R143-R146 PolarHBondContact O-N 2.85Å | ||
| 144 | E | 93.6 | Very high | 94.9 | Very high | 204 Ų | 204 | 58.5 Ų | 58.5 | 95% | 0.953 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.5 | 177.6 | -60.8 | -177 | 166.5 | 0 | 0 | 112 | R146 | E144-R146 VanDerWaalsContact C-N 3.32Å; E144-R146 PolarHBondContact O-N 2.93Å |
| 145 | D | 93.6 | Very high | 94.9 | Very high | 29 Ų | 29 | 62 Ų | 62 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 14.8 | 178.3 | 67.3 | -22.5 | 0 | 0 | 0 | 113.7 | R143 A147 P148 L149 | R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 WeakPolarHBondContact CB-OD1 3.5Å; R143-D145 IonicContact CZ-OD1 3.22Å; R143-D145 IonicContact CZ-OD2 2.7Å; R143-D145 IonicContact NE-OD1 3.99Å; R143-D145 PolarHBondContact NE-OD1 2.86Å; R143-D145 IonicContact NE-OD2 3.54Å; R143-D145 IonicContact NH2-OD1 3.92Å; R143-D145 PolarHBondContact NH2-OD1 2.79Å; R143-D145 IonicContact NH2-OD2 3.72Å; R143-D145 PolarHBondContact NH2-OD2 3.04Å; R143-D145 PolarHBondContact O-N 2.77Å; D145-A147 PolarHBondContact O-N 3.3Å; D145-P148 HydrophobicContact CB-CG 4.13Å; D145-P148 WeakPolarHBondContact O-CD 3.5Å; D145-P148 WeakPolarHBondContact O-CG 3.19Å; D145-L149 VanDerWaalsContact O-CG 3.29Å; D145-L149 WeakPolarHBondContact O-CG 3.32Å; D145-L149 PolarHBondContact O-N 3.04Å |
| 146 | R | 94.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 43% | 0.434 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53.3 | -48.6 | 180 | 175.4 | -177.4 | 75.3 | 176.3 | 4.3 | 113.4 | F139 R143 E144 L149 L150 M175 | F139-R146 HydrophobicContact CE2-CG 4.11Å; R143-R146 WeakPolarHBondContact O-CB 3.4Å; R143-R146 PolarHBondContact O-N 2.85Å; E144-R146 VanDerWaalsContact C-N 3.32Å; E144-R146 PolarHBondContact O-N 2.93Å; R146-L149 PolarHBondContact O-N 3.22Å; R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 HydrophobicContact CG-CG 4.44Å; R146-L150 WeakPolarHBondContact O-CG 3.13Å; R146-L150 PolarHBondContact O-N 3.04Å; R146-M175 HydrophobicContact CG-SD 4.23Å |
| 147 | A | 94.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -48.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D145 L149 K151 | D145-A147 PolarHBondContact O-N 3.3Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 3.38Å; A147-K151 WeakPolarHBondContact O-CB 3.15Å; A147-K151 PolarHBondContact O-N 3.13Å; A147-K151 VanDerWaalsContact O-N 3.08Å |
| 148 | P | 94.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 47% | 0.474 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -35.2 | 173.7 | 19.9 | -28.9 | 0 | 0 | 0 | 113.1 | D145 K151 T152 | D145-P148 HydrophobicContact CB-CG 4.13Å; D145-P148 WeakPolarHBondContact O-CD 3.5Å; D145-P148 WeakPolarHBondContact O-CG 3.19Å; P148-K151 PolarHBondContact O-N 2.82Å; P148-T152 WeakPolarHBondContact O-CB 3.29Å; P148-T152 PolarHBondContact O-N 3.42Å; P148-T152 PolarHBondContact O-OG1 2.75Å |
| 149 | L | 94.7 | Very high | 94.8 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 174.9 | -72 | 170.7 | 0 | 0 | 0 | 111.8 | I106 L111 F139 D145 R146 A147 K151 T152 F153 | I106-L149 HydrophobicContact CG2-CD2 4.29Å; L111-L149 HydrophobicContact CD1-CD2 4.26Å; L111-L149 HydrophobicContact CD2-CD2 4.23Å; L111-L149 HydrophobicContact CG-CD2 4.16Å; F139-L149 HydrophobicContact CD2-CD1 4.27Å; F139-L149 HydrophobicContact CE2-CD1 4.43Å; F139-L149 HydrophobicContact CG-CD1 4.41Å; F139-L149 HydrophobicContact CZ-CB 4.34Å; D145-L149 VanDerWaalsContact O-CG 3.29Å; D145-L149 WeakPolarHBondContact O-CG 3.32Å; D145-L149 PolarHBondContact O-N 3.04Å; R146-L149 PolarHBondContact O-N 3.22Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 3.38Å; L149-K151 VanDerWaalsContact C-N 3.27Å; L149-K151 PolarHBondContact O-N 2.84Å; L149-T152 PolarHBondContact O-N 2.81Å; L149-T152 VanDerWaalsContact O-N 3.16Å; L149-F153 HydrophobicContact CB-CD2 4.35Å; L149-F153 HydrophobicContact CB-CE2 4.31Å; L149-F153 HydrophobicContact CD2-CE2 3.85Å; L149-F153 WeakPolarHBondContact O-CD2 3.46Å; L149-F153 PolarHBondContact O-N 3.27Å |
| 150 | L | 95.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 76.1 Ų | 76.1 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -53.7 | -47.1 | 176.4 | -76.9 | 176.5 | 0 | 0 | 0 | 111.4 | F139 R146 S154 I160 M175 M177 | F139-L150 HydrophobicContact CZ-CD2 4.07Å; F139-L150 HydrophobicContact CZ-CG 4.26Å; R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 HydrophobicContact CG-CG 4.44Å; R146-L150 WeakPolarHBondContact O-CG 3.13Å; R146-L150 PolarHBondContact O-N 3.04Å; L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.06Å; L150-S154 PolarHBondContact O-N 2.7Å; L150-S154 PolarHBondContact O-OG 2.95Å; L150-S154 VanDerWaalsContact O-OG 3.14Å; L150-I160 HydrophobicContact CD2-CD1 3.96Å; L150-I160 HydrophobicContact CD2-CG1 3.98Å; L150-M175 HydrophobicContact CD1-SD 3.88Å; L150-M175 HydrophobicContact CD2-CG 4.36Å; L150-M175 HydrophobicContact CD2-SD 3.6Å; L150-M175 HydrophobicContact CG-SD 3.99Å; L150-M177 HydrophobicContact CD2-CE 4.23Å; L150-M177 HydrophobicContact CD2-CG 4.18Å; L150-M177 HydrophobicContact CD2-SD 3.54Å; L150-M177 VanDerWaalsContact CD2-SD 3.54Å |
| 151 | K | 95.7 | Very high | 94.9 | Very high | 137 Ų | 137 | 70.5 Ų | 70.5 | 60% | 0.596 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.1 | -51.3 | 178.1 | -175.4 | 174.3 | -179.4 | 179.6 | 0 | 110.9 | A147 P148 L149 S154 F155 | A147-K151 WeakPolarHBondContact O-CB 3.15Å; A147-K151 PolarHBondContact O-N 3.13Å; A147-K151 VanDerWaalsContact O-N 3.08Å; P148-K151 PolarHBondContact O-N 2.82Å; L149-K151 VanDerWaalsContact C-N 3.27Å; L149-K151 PolarHBondContact O-N 2.84Å; K151-S154 PolarHBondContact O-N 3.22Å; K151-F155 HydrophobicContact CD-CE2 4.14Å; K151-F155 HydrophobicContact CG-CD2 3.8Å; K151-F155 HydrophobicContact CG-CE2 3.49Å; K151-F155 VanDerWaalsContact CG-CE2 3.49Å; K151-F155 WeakPolarHBondContact O-CD2 3.31Å; K151-F155 PolarHBondContact O-N 3.36Å |
| 152 | T | 94.7 | Very high | 94.7 | Very high | 61 Ų | 61 | 76.5 Ų | 76.5 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | P148 L149 F155 L156 | P148-T152 WeakPolarHBondContact O-CB 3.29Å; P148-T152 PolarHBondContact O-N 3.42Å; P148-T152 PolarHBondContact O-OG1 2.75Å; L149-T152 PolarHBondContact O-N 2.81Å; L149-T152 VanDerWaalsContact O-N 3.16Å; T152-F155 WeakPolarHBondContact O-CB 3.34Å; T152-F155 PolarHBondContact O-N 2.99Å; T152-L156 HydrophobicContact CG2-CD1 4.49Å; T152-L156 WeakPolarHBondContact O-CG 3.43Å; T152-L156 PolarHBondContact O-N 3.09Å |
| 153 | F | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 0% | 0.004 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.6 | -34 | -177.4 | -69.3 | -65.9 | 0 | 0 | 0 | 112.4 | I106 L111 L119 I137 L149 F155 L156 G157 F158 M177 | I106-F153 HydrophobicContact CD1-CE1 4.18Å; I106-F153 HydrophobicContact CD1-CE2 4.14Å; I106-F153 HydrophobicContact CD1-CZ 3.52Å; I106-F153 HydrophobicContact CG1-CE2 4.09Å; I106-F153 HydrophobicContact CG1-CZ 3.99Å; I106-F153 HydrophobicContact CG2-CE2 4.49Å; I106-F153 HydrophobicContact CG2-CZ 4.44Å; L111-F153 HydrophobicContact CD1-CZ 4.27Å; L119-F153 HydrophobicContact CD2-CD1 4.17Å; L119-F153 HydrophobicContact CD2-CE1 3.73Å; I137-F153 HydrophobicContact CD1-CB 3.56Å; I137-F153 HydrophobicContact CD1-CD1 3.38Å; I137-F153 HydrophobicContact CD1-CD2 3.29Å; I137-F153 HydrophobicContact CD1-CE1 3.8Å; I137-F153 HydrophobicContact CD1-CE2 3.73Å; I137-F153 HydrophobicContact CD1-CG 3.11Å; I137-F153 HydrophobicContact CD1-CZ 3.98Å; L149-F153 HydrophobicContact CB-CD2 4.35Å; L149-F153 HydrophobicContact CB-CE2 4.31Å; L149-F153 HydrophobicContact CD2-CE2 3.85Å; L149-F153 WeakPolarHBondContact O-CD2 3.46Å; L149-F153 PolarHBondContact O-N 3.27Å; F153-F155 VanDerWaalsContact C-N 3.31Å; F153-F155 PolarHBondContact O-N 3.43Å; F153-L156 HydrophobicContact CD1-CD1 4.24Å; F153-L156 CarbonylContact O-C 3.41Å; F153-L156 WeakPolarHBondContact O-CA 3.42Å; F153-L156 WeakPolarHBondContact O-CB 3.25Å; F153-L156 PolarHBondContact O-N 3.45Å; F153-G157 PolarHBondContact O-N 2.93Å; F153-F158 HydrophobicContact CB-CB 3.99Å; F153-F158 HydrophobicContact CB-CD2 4.28Å; F153-F158 HydrophobicContact CB-CG 4.26Å; F153-F158 HydrophobicContact CD1-CD2 4.23Å; F153-F158 HydrophobicContact CD1-CE2 4.38Å; F153-F158 WeakPolarHBondContact O-CB 3.32Å; F153-F158 PolarHBondContact O-N 3.25Å; F153-M177 HydrophobicContact CB-CE 3.69Å; F153-M177 HydrophobicContact CB-SD 3.65Å; F153-M177 HydrophobicContact CD2-SD 4.4Å; F153-M177 HydrophobicContact CG-SD 4.42Å |
| 154 | S | 96.6 | Very high | 94 | Very high | 59 Ų | 59 | 82 Ų | 82 | 41% | 0.413 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.8 | -35.4 | 170.8 | -70 | 0 | 0 | 0 | 0 | 113 | L150 K151 L156 G157 F158 M177 | L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.06Å; L150-S154 PolarHBondContact O-N 2.7Å; L150-S154 PolarHBondContact O-OG 2.95Å; L150-S154 VanDerWaalsContact O-OG 3.14Å; K151-S154 PolarHBondContact O-N 3.22Å; S154-L156 PolarHBondContact O-N 3.28Å; S154-G157 PolarHBondContact O-N 3.05Å; S154-G157 VanDerWaalsContact O-N 3.15Å; S154-F158 VanDerWaalsContact CA-O 3.29Å; S154-F158 WeakPolarHBondContact CA-O 3.37Å; S154-F158 PolarHBondContact OG-O 3.43Å; S154-M177 VanDerWaalsContact OG-CE 3.31Å; S154-M177 WeakPolarHBondContact OG-CE 3.4Å |
| 155 | F | 95.4 | Very high | 93.6 | Very high | 163 Ų | 163 | 75 Ų | 75 | 72% | 0.715 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.4 | -26.1 | 171.2 | -84 | -66.7 | 0 | 0 | 0 | 113.5 | K151 T152 F153 G157 | K151-F155 HydrophobicContact CD-CE2 4.14Å; K151-F155 HydrophobicContact CG-CD2 3.8Å; K151-F155 HydrophobicContact CG-CE2 3.49Å; K151-F155 VanDerWaalsContact CG-CE2 3.49Å; K151-F155 WeakPolarHBondContact O-CD2 3.31Å; K151-F155 PolarHBondContact O-N 3.36Å; T152-F155 WeakPolarHBondContact O-CB 3.34Å; T152-F155 PolarHBondContact O-N 2.99Å; F153-F155 VanDerWaalsContact C-N 3.31Å; F153-F155 PolarHBondContact O-N 3.43Å; F155-G157 VanDerWaalsContact C-N 3.28Å |
| 156 | L | 94.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 79.5 Ų | 79.5 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 0.9 | 175.5 | -65.3 | 174.1 | 0 | 0 | 0 | 113.2 | L119 T152 F153 S154 F158 Y179 | L119-L156 HydrophobicContact CD2-CD1 3.82Å; T152-L156 HydrophobicContact CG2-CD1 4.49Å; T152-L156 WeakPolarHBondContact O-CG 3.43Å; T152-L156 PolarHBondContact O-N 3.09Å; F153-L156 HydrophobicContact CD1-CD1 4.24Å; F153-L156 CarbonylContact O-C 3.41Å; F153-L156 WeakPolarHBondContact O-CA 3.42Å; F153-L156 WeakPolarHBondContact O-CB 3.25Å; F153-L156 PolarHBondContact O-N 3.45Å; S154-L156 PolarHBondContact O-N 3.28Å; L156-F158 HydrophobicContact CB-CD2 4.17Å; L156-F158 HydrophobicContact CB-CE2 4.49Å; L156-Y179 WeakPolarHBondContact O-CE2 3.24Å |
| 157 | G | 96 | Very high | 93 | Very high | 39 Ų | 39 | 76.5 Ų | 76.5 | 40% | 0.402 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | 4.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F153 S154 F155 | F153-G157 PolarHBondContact O-N 2.93Å; S154-G157 PolarHBondContact O-N 3.05Å; S154-G157 VanDerWaalsContact O-N 3.15Å; F155-G157 VanDerWaalsContact C-N 3.28Å |
| 158 | F | 97.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.009 | 42% | 0.418 | C | S | . | . | trans | -78.2 | 135.8 | 173.6 | -71.8 | -103.1 | 0 | 0 | 0 | 111.7 | L119 L123 V135 I137 F153 S154 L156 M177 V178 Y179 | L119-F158 HydrophobicContact CD2-CE2 4.28Å; L123-F158 HydrophobicContact CD1-CE2 4.38Å; L123-F158 HydrophobicContact CD2-CZ 4.19Å; V135-F158 HydrophobicContact CG1-CE1 4.46Å; I137-F158 HydrophobicContact CB-CE1 4.34Å; I137-F158 HydrophobicContact CD1-CD1 4.02Å; I137-F158 HydrophobicContact CD1-CE1 4.38Å; I137-F158 HydrophobicContact CD1-CG 4.25Å; I137-F158 HydrophobicContact CG1-CD1 3.83Å; I137-F158 HydrophobicContact CG1-CE1 4.06Å; I137-F158 HydrophobicContact CG2-CD1 4.24Å; I137-F158 HydrophobicContact CG2-CE1 3.58Å; I137-F158 HydrophobicContact CG2-CZ 3.93Å; F153-F158 HydrophobicContact CB-CB 3.99Å; F153-F158 HydrophobicContact CB-CD2 4.28Å; F153-F158 HydrophobicContact CB-CG 4.26Å; F153-F158 HydrophobicContact CD1-CD2 4.23Å; F153-F158 HydrophobicContact CD1-CE2 4.38Å; F153-F158 WeakPolarHBondContact O-CB 3.32Å; F153-F158 PolarHBondContact O-N 3.25Å; S154-F158 VanDerWaalsContact CA-O 3.29Å; S154-F158 WeakPolarHBondContact CA-O 3.37Å; S154-F158 PolarHBondContact OG-O 3.43Å; L156-F158 HydrophobicContact CB-CD2 4.17Å; L156-F158 HydrophobicContact CB-CE2 4.49Å; F158-M177 HydrophobicContact CB-CB 3.91Å; F158-M177 HydrophobicContact CB-CE 3.88Å; F158-M177 HydrophobicContact CD1-CB 4.32Å; F158-M177 WeakPolarHBondContact O-CE 3.37Å; F158-V178 CarbonylContact C-O 3.57Å; F158-V178 VanDerWaalsContact CA-O 3.3Å; F158-V178 WeakPolarHBondContact CA-O 3.22Å; F158-Y179 HydrophobicContact CD2-CD2 4.04Å; F158-Y179 VanDerWaalsContact CE1-CB 3.44Å; F158-Y179 HydrophobicContact CE1-CG 4.49Å; F158-Y179 HydrophobicContact CE2-CD2 4.04Å; F158-Y179 HydrophobicContact CE2-CG 4.35Å; F158-Y179 HydrophobicContact CG-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CG 4.3Å | ||
| 159 | E | 97 | Very high | 92.3 | Very high | 136 Ų | 136 | 74.3 Ų | 74.3 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.9 | 177.6 | -59.6 | -171.5 | 169.1 | 0 | 0 | 111.5 | V161 M177 V178 | E159-V161 PolarHBondContact O-N 3.18Å; E159-M177 CarbonylContact O-C 3.57Å; E159-M177 WeakPolarHBondContact O-CA 3.32Å; E159-M177 WeakPolarHBondContact O-CB 3.26Å; E159-V178 HydrophobicContact CB-CG1 4.41Å; E159-V178 PolarHBondContact N-O 3.12Å; E159-V178 PolarHBondContact O-N 2.91Å |
| 160 | I | 96.3 | Very high | 91.9 | Very high | 97 Ų | 97 | 79.9 Ų | 79.9 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 126.7 | 176.2 | -62.4 | 174.2 | 0 | 0 | 0 | 109.4 | L150 R162 M177 | L150-I160 HydrophobicContact CD2-CD1 3.96Å; L150-I160 HydrophobicContact CD2-CG1 3.98Å; I160-R162 PolarHBondContact O-N 2.81Å; I160-M177 HydrophobicContact CG1-CE 4.38Å; I160-M177 HydrophobicContact CG1-CG 4.44Å |
| 161 | V | 95.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 84.3 Ų | 84.3 | 13% | 0.127 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 130 | 178 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | F136 E159 H165 V168 F176 V178 | F136-V161 HydrophobicContact CD1-CG2 3.85Å; F136-V161 HydrophobicContact CE1-CG2 3.77Å; E159-V161 PolarHBondContact O-N 3.18Å; V161-H165 HydrophobicContact CG1-CB 3.4Å; V161-H165 VanDerWaalsContact CG1-CB 3.4Å; V161-V168 HydrophobicContact CG1-CB 4.42Å; V161-V168 HydrophobicContact CG1-CG2 3.9Å; V161-V168 HydrophobicContact CG2-CG2 4.49Å; V161-F176 HydrophobicContact CB-CB 3.93Å; V161-F176 HydrophobicContact CG2-CB 3.81Å; V161-F176 PolarHBondContact N-O 3.16Å; V161-V178 HydrophobicContact CG2-CB 3.8Å; V161-V178 HydrophobicContact CG2-CG1 3.93Å |
| 162 | R | 88.4 | Confident | 91.3 | Very high | 212 Ų | 212 | 82.5 Ų | 82.5 | 80% | 0.8 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -70 | 141.5 | 174.2 | -63.7 | -177 | -173.7 | 175.5 | 2.8 | 110.7 | I160 G164 H165 | I160-R162 PolarHBondContact O-N 2.81Å; R162-G164 PolarHBondContact O-N 3.2Å; R162-H165 PolarHBondContact O-N 2.76Å |
| 163 | P | 84.3 | Confident | 91.2 | Very high | 134 Ų | 134 | 83.1 Ų | 83.1 | 87% | 0.87 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 135.5 | 171.8 | -24.7 | 33.8 | 0 | 0 | 0 | 111.5 | ||
| 164 | G | 84.8 | Confident | 91.1 | Very high | 82 Ų | 82 | 83.8 Ų | 83.8 | 85% | 0.845 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 9.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R162 | R162-G164 PolarHBondContact O-N 3.2Š|
| 165 | H | 86.6 | Confident | 91 | Very high | 57 Ų | 57 | 82.6 Ų | 82.6 | 26% | 0.264 | 47% | 0.468 | S | S | . | . | trans | -58.8 | 129.7 | 172.8 | -170.7 | -78.2 | 0 | 0 | 0 | 111.2 | F136 V161 R162 C167 V168 | F136-H165 AromaticContact CZ-CE1 3.83Å; V161-H165 HydrophobicContact CG1-CB 3.4Å; V161-H165 VanDerWaalsContact CG1-CB 3.4Å; R162-H165 PolarHBondContact O-N 2.76Å; H165-C167 VanDerWaalsContact C-N 3.3Å; H165-C167 PolarHBondContact ND1-N 3.21Å; H165-C167 PolarHBondContact O-N 2.81Å; H165-V168 HydrophobicContact CB-CB 4.29Å; H165-V168 HydrophobicContact CB-CG2 4.25Å; H165-V168 PolarHBondContact O-N 3.13Å | ||
| 166 | P | 87.6 | Confident | 91.1 | Very high | 124 Ų | 124 | 75.9 Ų | 75.9 | 81% | 0.805 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.4 | -169.3 | 23.4 | -34.6 | 0 | 0 | 0 | 114 | V168 | P166-V168 VanDerWaalsContact C-N 3.35Š|
| 167 | C | 86.8 | Confident | 91.2 | Very high | 52 Ų | 52 | 73.5 Ų | 73.5 | 35% | 0.351 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17 | 178.5 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | F103 F136 H165 | F103-C167 VanDerWaalsContact CZ-O 3.25Å; F103-C167 WeakPolarHBondContact CZ-O 3.25Å; F136-C167 HydrophobicContact CE2-CB 4.06Å; F136-C167 HydrophobicContact CZ-CB 3.95Å; H165-C167 VanDerWaalsContact C-N 3.3Å; H165-C167 PolarHBondContact ND1-N 3.21Å; H165-C167 PolarHBondContact O-N 2.81Å |
| 168 | V | 87.7 | Confident | 91.3 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 15% | 0.145 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -102.9 | 126.3 | -168.9 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | F103 F136 V161 H165 P166 F176 | F103-V168 HydrophobicContact CE1-CG2 4.32Å; F136-V168 HydrophobicContact CD1-CG2 3.71Å; F136-V168 HydrophobicContact CE1-CG2 3.38Å; F136-V168 HydrophobicContact CG-CG2 4.49Å; F136-V168 HydrophobicContact CZ-CG2 3.94Å; V161-V168 HydrophobicContact CG1-CB 4.42Å; V161-V168 HydrophobicContact CG1-CG2 3.9Å; V161-V168 HydrophobicContact CG2-CG2 4.49Å; H165-V168 HydrophobicContact CB-CB 4.29Å; H165-V168 HydrophobicContact CB-CG2 4.25Å; H165-V168 PolarHBondContact O-N 3.13Å; P166-V168 VanDerWaalsContact C-N 3.35Å; V168-F176 HydrophobicContact CG1-CB 4.18Å; V168-F176 HydrophobicContact CG1-CD1 3.77Å; V168-F176 HydrophobicContact CG1-CD2 3.35Å; V168-F176 HydrophobicContact CG1-CE1 3.9Å; V168-F176 HydrophobicContact CG1-CE2 3.49Å; V168-F176 VanDerWaalsContact CG1-CE2 3.49Å; V168-F176 HydrophobicContact CG1-CG 3.49Å; V168-F176 VanDerWaalsContact CG1-CG 3.49Å; V168-F176 HydrophobicContact CG1-CZ 3.77Å |
| 169 | P | 85.6 | Confident | 91.3 | Very high | 72 Ų | 72 | 75.9 Ų | 75.9 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | trans | -63.8 | 147.7 | 179.2 | 27.1 | -34.7 | 0 | 0 | 0 | 111.1 | R171 F176 | P169-R171 VanDerWaalsContact C-N 3.32Å; P169-R171 HydrophobicContact CB-CG 4.33Å; P169-R171 HydrophobicContact CG-CG 4.32Å; P169-R171 PolarHBondContact O-N 2.87Å; P169-F176 HydrophobicContact CG-CZ 4.13Å | ||
| 170 | S | 86.8 | Confident | 91.2 | Very high | 124 Ų | 124 | 72.7 Ų | 72.7 | 87% | 0.867 | 42% | 0.416 | S | S | * | . | trans | -70.3 | 87.6 | 177 | -165.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 171 | R | 90.4 | Very high | 91.1 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | trans | -122.7 | 90.4 | -179.6 | -73.5 | -67.2 | -60.6 | -87.4 | -1.9 | 110 | P169 D173 V174 F176 | P169-R171 VanDerWaalsContact C-N 3.32Å; P169-R171 HydrophobicContact CB-CG 4.33Å; P169-R171 HydrophobicContact CG-CG 4.32Å; P169-R171 PolarHBondContact O-N 2.87Å; R171-D173 IonicContact CZ-OD1 3.42Å; R171-D173 IonicContact CZ-OD2 3.59Å; R171-D173 IonicContact NE-OD1 2.94Å; R171-D173 PolarHBondContact NE-OD1 2.9Å; R171-D173 IonicContact NE-OD2 3.65Å; R171-D173 IonicContact NH2-OD1 3.94Å; R171-D173 IonicContact NH2-OD2 3.73Å; R171-D173 PolarHBondContact NH2-OD2 3.42Å; R171-D173 PolarHBondContact O-N 2.65Å; R171-V174 HydrophobicContact CB-CB 3.97Å; R171-V174 HydrophobicContact CB-CG2 4.01Å; R171-V174 PolarHBondContact O-N 3.35Å; R171-V174 VanDerWaalsContact O-N 3.16Å; R171-F176 HydrophobicContact CB-CE2 4.09Å; R171-F176 HydrophobicContact CB-CZ 4.3Å | ||
| 172 | P | 89.6 | Confident | 90.4 | Very high | 99 Ų | 99 | 74.3 Ų | 74.3 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -17.7 | -174.9 | 28.1 | -35.1 | 0 | 0 | 0 | 113.2 | K141 | K141-P172 VanDerWaalsContact CD-O 3.26Å; K141-P172 WeakPolarHBondContact CD-O 3.48Å; K141-P172 WeakPolarHBondContact CE-O 3.47Å; K141-P172 PolarHBondContact NZ-O 2.75Å |
| 173 | D | 92.5 | Very high | 89.3 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13.5 | 177.2 | 60.9 | -50.1 | 0 | 0 | 0 | 113.8 | K141 R171 | K141-D173 PolarHBondContact N-O 2.86Å; R171-D173 IonicContact CZ-OD1 3.42Å; R171-D173 IonicContact CZ-OD2 3.59Å; R171-D173 IonicContact NE-OD1 2.94Å; R171-D173 PolarHBondContact NE-OD1 2.9Å; R171-D173 IonicContact NE-OD2 3.65Å; R171-D173 IonicContact NH2-OD1 3.94Å; R171-D173 IonicContact NH2-OD2 3.73Å; R171-D173 PolarHBondContact NH2-OD2 3.42Å; R171-D173 PolarHBondContact O-N 2.65Å |
| 174 | V | 93.8 | Very high | 87.8 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.2 | -174.3 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | C138 K141 R171 F176 | C138-V174 HydrophobicContact CB-CG1 3.75Å; K141-V174 WeakPolarHBondContact CE-O 3.32Å; R171-V174 HydrophobicContact CB-CB 3.97Å; R171-V174 HydrophobicContact CB-CG2 4.01Å; R171-V174 PolarHBondContact O-N 3.35Å; R171-V174 VanDerWaalsContact O-N 3.16Å; V174-F176 HydrophobicContact CB-CE2 3.81Å; V174-F176 HydrophobicContact CB-CZ 4.07Å; V174-F176 HydrophobicContact CG1-CD2 4.15Å; V174-F176 HydrophobicContact CG1-CE1 4.1Å; V174-F176 HydrophobicContact CG1-CE2 3.65Å; V174-F176 HydrophobicContact CG1-CZ 3.61Å |
| 175 | M | 94.2 | Very high | 85.9 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 16% | 0.163 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135 | 170.7 | -171.6 | 155.5 | -89.6 | 0 | 0 | 108.7 | C138 F139 K141 R146 L150 | C138-M175 VanDerWaalsContact CA-O 3.31Å; C138-M175 WeakPolarHBondContact CA-O 3.29Å; F139-M175 HydrophobicContact CD2-CB 4.21Å; F139-M175 HydrophobicContact CE1-CB 4.42Å; F139-M175 HydrophobicContact CE1-CG 4.36Å; F139-M175 HydrophobicContact CE2-CB 3.82Å; F139-M175 HydrophobicContact CE2-CG 4.09Å; F139-M175 HydrophobicContact CE2-SD 3.86Å; F139-M175 HydrophobicContact CZ-CB 3.94Å; F139-M175 HydrophobicContact CZ-CG 3.79Å; F139-M175 HydrophobicContact CZ-SD 3.7Å; F139-M175 PolarHBondContact N-O 2.91Å; F139-M175 VanDerWaalsContact N-O 3.12Å; F139-M175 PolarHBondContact O-N 3.43Å; K141-M175 HydrophobicContact CG-CB 4.02Å; K141-M175 HydrophobicContact CG-CE 4.45Å; R146-M175 HydrophobicContact CG-SD 4.23Å; L150-M175 HydrophobicContact CD1-SD 3.88Å; L150-M175 HydrophobicContact CD2-CG 4.36Å; L150-M175 HydrophobicContact CD2-SD 3.6Å; L150-M175 HydrophobicContact CG-SD 3.99Å |
| 176 | F | 96.6 | Very high | 84 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 10% | 0.096 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.6 | 178 | -64.6 | -90.3 | 0 | 0 | 0 | 110.1 | F103 I137 C138 V161 V168 P169 R171 V174 | F103-F176 HydrophobicContact CD1-CE1 4.33Å; I137-F176 WeakPolarHBondContact O-CA 3.32Å; C138-F176 HydrophobicContact CB-CD1 3.59Å; C138-F176 HydrophobicContact CB-CE1 3.53Å; C138-F176 HydrophobicContact CB-CG 4.46Å; C138-F176 HydrophobicContact CB-CZ 4.37Å; V161-F176 HydrophobicContact CB-CB 3.93Å; V161-F176 HydrophobicContact CG2-CB 3.81Å; V161-F176 PolarHBondContact N-O 3.16Å; V168-F176 HydrophobicContact CG1-CB 4.18Å; V168-F176 HydrophobicContact CG1-CD1 3.77Å; V168-F176 HydrophobicContact CG1-CD2 3.35Å; V168-F176 HydrophobicContact CG1-CE1 3.9Å; V168-F176 HydrophobicContact CG1-CE2 3.49Å; V168-F176 VanDerWaalsContact CG1-CE2 3.49Å; V168-F176 HydrophobicContact CG1-CG 3.49Å; V168-F176 VanDerWaalsContact CG1-CG 3.49Å; V168-F176 HydrophobicContact CG1-CZ 3.77Å; P169-F176 HydrophobicContact CG-CZ 4.13Å; R171-F176 HydrophobicContact CB-CE2 4.09Å; R171-F176 HydrophobicContact CB-CZ 4.3Å; V174-F176 HydrophobicContact CB-CE2 3.81Å; V174-F176 HydrophobicContact CB-CZ 4.07Å; V174-F176 HydrophobicContact CG1-CD2 4.15Å; V174-F176 HydrophobicContact CG1-CE1 4.1Å; V174-F176 HydrophobicContact CG1-CE2 3.65Å; V174-F176 HydrophobicContact CG1-CZ 3.61Å |
| 177 | M | 97.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.5 | 164.7 | -48.3 | 174.1 | 65.3 | 0 | 0 | 109 | F136 I137 F139 L150 F153 S154 F158 E159 I160 | F136-M177 CarbonylContact C-O 3.52Å; F136-M177 VanDerWaalsContact CA-O 3.28Å; F136-M177 WeakPolarHBondContact CA-O 3.15Å; I137-M177 HydrophobicContact CD1-CB 3.91Å; I137-M177 HydrophobicContact CD1-CG 4.21Å; I137-M177 HydrophobicContact CD1-SD 3.91Å; I137-M177 HydrophobicContact CG1-CB 3.65Å; I137-M177 HydrophobicContact CG1-CG 4.26Å; I137-M177 PolarHBondContact N-O 3.42Å; I137-M177 PolarHBondContact O-N 2.78Å; F139-M177 HydrophobicContact CE1-SD 4.42Å; L150-M177 HydrophobicContact CD2-CE 4.23Å; L150-M177 HydrophobicContact CD2-CG 4.18Å; L150-M177 HydrophobicContact CD2-SD 3.54Å; L150-M177 VanDerWaalsContact CD2-SD 3.54Å; F153-M177 HydrophobicContact CB-CE 3.69Å; F153-M177 HydrophobicContact CB-SD 3.65Å; F153-M177 HydrophobicContact CD2-SD 4.4Å; F153-M177 HydrophobicContact CG-SD 4.42Å; S154-M177 VanDerWaalsContact OG-CE 3.31Å; S154-M177 WeakPolarHBondContact OG-CE 3.4Å; F158-M177 HydrophobicContact CB-CB 3.91Å; F158-M177 HydrophobicContact CB-CE 3.88Å; F158-M177 HydrophobicContact CD1-CB 4.32Å; F158-M177 WeakPolarHBondContact O-CE 3.37Å; E159-M177 CarbonylContact O-C 3.57Å; E159-M177 WeakPolarHBondContact O-CA 3.32Å; E159-M177 WeakPolarHBondContact O-CB 3.26Å; I160-M177 HydrophobicContact CG1-CE 4.38Å; I160-M177 HydrophobicContact CG1-CG 4.44Å |
| 178 | V | 97.5 | Very high | 79.9 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 11% | 0.109 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.4 | -174.7 | 62.6 | 0 | 0 | 0 | 0 | 110.9 | Y134 V135 F136 F158 E159 V161 | Y134-V178 HydrophobicContact CD1-CG2 3.93Å; Y134-V178 HydrophobicContact CG-CG2 4.45Å; V135-V178 CarbonylContact O-C 3.41Å; V135-V178 WeakPolarHBondContact O-CA 3.2Å; F136-V178 HydrophobicContact CD1-CB 3.75Å; F136-V178 HydrophobicContact CD1-CG2 3.91Å; F136-V178 HydrophobicContact CE1-CB 3.57Å; F136-V178 HydrophobicContact CE1-CG2 3.5Å; F136-V178 HydrophobicContact CE2-CG2 4.31Å; F136-V178 HydrophobicContact CG-CG2 4.47Å; F136-V178 HydrophobicContact CZ-CB 4.3Å; F136-V178 HydrophobicContact CZ-CG2 3.72Å; F158-V178 CarbonylContact C-O 3.57Å; F158-V178 VanDerWaalsContact CA-O 3.3Å; F158-V178 WeakPolarHBondContact CA-O 3.22Å; E159-V178 HydrophobicContact CB-CG1 4.41Å; E159-V178 PolarHBondContact N-O 3.12Å; E159-V178 PolarHBondContact O-N 2.91Å; V161-V178 HydrophobicContact CG2-CB 3.8Å; V161-V178 HydrophobicContact CG2-CG1 3.93Å |
| 179 | Y | 97.3 | Very high | 77.5 | Confident | 73 Ų | 73 | 90.6 Ų | 90.6 | 29% | 0.286 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 111 | 167 | -170.6 | -84.6 | 0 | 0 | 0 | 107.8 | L123 V135 L156 F158 L181 | L123-Y179 HydrophobicContact CD2-CD1 4.15Å; L123-Y179 HydrophobicContact CD2-CG 4.39Å; V135-Y179 PolarHBondContact N-O 3.2Å; V135-Y179 PolarHBondContact O-N 2.94Å; L156-Y179 WeakPolarHBondContact O-CE2 3.24Å; F158-Y179 HydrophobicContact CD2-CD2 4.04Å; F158-Y179 VanDerWaalsContact CE1-CB 3.44Å; F158-Y179 HydrophobicContact CE1-CG 4.49Å; F158-Y179 HydrophobicContact CE2-CD2 4.04Å; F158-Y179 HydrophobicContact CE2-CG 4.35Å; F158-Y179 HydrophobicContact CG-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CG 4.3Å; Y179-L181 HydrophobicContact CD1-CD2 3.74Å; Y179-L181 HydrophobicContact CD1-CG 4.42Å; Y179-L181 HydrophobicContact CE1-CD2 3.73Å |
| 180 | P | 94.6 | Very high | 77.1 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.1 | 172 | 30.3 | -31.8 | 0 | 0 | 0 | 109.2 | Y134 | Y134-P180 HydrophobicContact CD1-CB 4.34Å; Y134-P180 HydrophobicContact CE1-CB 4.33Å |
| 181 | L | 93.9 | Very high | 76.6 | Confident | 10 Ų | 10 | 89.8 Ų | 89.8 | 5% | 0.052 | 47% | 0.472 | C | S | . | . | trans | -96 | 136.6 | 170.5 | -64.9 | 174.6 | 0 | 0 | 0 | 108.4 | A126 E127 V132 N133 V135 Y179 Q183 | A126-L181 HydrophobicContact CB-CD1 4.12Å; E127-L181 HydrophobicContact CB-CD1 4.01Å; E127-L181 HydrophobicContact CB-CD2 4.14Å; E127-L181 HydrophobicContact CG-CB 4.49Å; V132-L181 HydrophobicContact CG2-CD1 3.6Å; V132-L181 WeakPolarHBondContact O-CD1 3.44Å; N133-L181 PolarHBondContact O-N 2.96Å; V135-L181 HydrophobicContact CG2-CD1 3.81Å; V135-L181 HydrophobicContact CG2-CG 4.25Å; Y179-L181 HydrophobicContact CD1-CD2 3.74Å; Y179-L181 HydrophobicContact CD1-CG 4.42Å; Y179-L181 HydrophobicContact CE1-CD2 3.73Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 2.9Å | ||
| 182 | D | 82.5 | Confident | 75.8 | Confident | 143 Ų | 143 | 87.8 Ų | 87.8 | 77% | 0.765 | 47% | 0.472 | S | S | * | . | trans | -73 | 85.6 | 175 | -72.9 | -34.7 | 0 | 0 | 0 | 108.8 | N184 | D182-N184 PolarHBondContact O-N 2.98Å; D182-N184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | Q | 65.1 | Low | 75 | Confident | 66 Ų | 66 | 87.2 Ų | 87.2 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | trans | -71.3 | 107.5 | 160.6 | -65.6 | -159.4 | 8 | 0 | 0 | 106.2 | K131 V132 N133 L181 L185 | K131-Q183 PolarHBondContact O-NE2 3.31Å; V132-Q183 PolarHBondContact O-NE2 3.39Å; N133-Q183 VanDerWaalsContact CG-CD 3.47Å; N133-Q183 VanDerWaalsContact N-NE2 3.16Å; N133-Q183 WeakPolarHBondContact OD1-CG 3.23Å; N133-Q183 PolarHBondContact OD1-NE2 2.88Å; N133-Q183 VanDerWaalsContact OD1-NE2 3.08Å; N133-Q183 PolarHBondContact OD1-OE1 2.98Å; N133-Q183 VanDerWaalsContact OD1-OE1 3.06Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 2.9Å; Q183-L185 PolarHBondContact O-N 3.04Å | ||
| 184 | N | 52.8 | Low | 73.9 | Confident | 150 Ų | 150 | 88.1 Ų | 88.1 | 80% | 0.802 | 47% | 0.467 | S | S | * | . | trans | -22.1 | 102.9 | 170.4 | -132.7 | 35.6 | 0 | 0 | 0 | 108.3 | D182 S186 | D182-N184 PolarHBondContact O-N 2.98Å; D182-N184 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact O-N 3.31Å | ||
| 185 | L | 45.5 | Very low | 72.6 | Confident | 150 Ų | 150 | 92.9 Ų | 92.9 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | trans | -62.5 | 91.7 | 174.9 | -70.2 | 171 | 0 | 0 | 0 | 104.2 | Q183 D187 | Q183-L185 PolarHBondContact O-N 3.04Å; L185-D187 PolarHBondContact O-N 2.9Å | ||
| 186 | S | 45.4 | Very low | 71 | Confident | 96 Ų | 96 | 97.1 Ų | 97.1 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | trans | -69.9 | 70.8 | 162.4 | -54.5 | 0 | 0 | 0 | 0 | 105.4 | N184 E188 | N184-S186 PolarHBondContact O-N 3.31Å; S186-E188 PolarHBondContact O-N 2.91Å | ||
| 187 | D | 44.1 | Very low | 69 | Low | 143 Ų | 143 | 102.9 Ų | 102.9 | 77% | 0.765 | 55% | 0.547 | S | S | * | . | trans | -64.5 | 81.5 | 152.7 | -78 | -64.2 | 0 | 0 | 0 | 105.5 | L185 | L185-D187 PolarHBondContact O-N 2.9Š| ||
| 188 | E | 45.3 | Very low | 66.7 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 86% | 0.855 | 59% | 0.593 | S | S | * | * | trans | -83.6 | 105 | 157.9 | -76.6 | -168.7 | 99.6 | 0 | 0 | 106.9 | S186 | S186-E188 PolarHBondContact O-N 2.91Š| ||
| 189 | D | 36.2 | Very low | 63.9 | Low | 238 Ų | 238 | 120 Ų | 120 | 100% | 1.273 | 64% | 0.637 | S | S | * | * | trans | -71.3 | 0 | 161.8 | -143.2 | -88.4 | 0 | 0 | 0 | 110.2 |
Retrieved 189 of 189 residues in 95.2 ms
(Link to these results)