| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.7 | Very low | 44.4 | Very low | 233 Ų | 233 | 149.2 Ų | 149.2 | 100% | 1.148 | 82% | 0.818 | S | S | * | * | 0 | 96.5 | 0 | -71 | -177 | 157 | 0 | 0 | 108.1 | |||||
| 2 | S | 35.6 | Very low | 44.5 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -93.2 | 122 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 107.7 | S4 | S2-S4 PolarHBondContact O-N 3.29Š| ||
| 3 | I | 44.1 | Very low | 43.8 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 90.9 | 177.8 | 75.7 | 107.2 | 0 | 0 | 0 | 108.3 | G5 | I3-G5 PolarHBondContact O-N 3.22Š| ||
| 4 | S | 49.1 | Very low | 44 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 98.6 | 163.2 | -72.8 | 0 | 0 | 0 | 0 | 107.7 | S2 T6 | S2-S4 PolarHBondContact O-N 3.29Å; S4-T6 PolarHBondContact O-N 3.44Å | ||
| 5 | G | 42.4 | Very low | 44 | Very low | 72 Ų | 72 | 141.3 Ų | 141.3 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -82.7 | 98.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | I3 | I3-G5 PolarHBondContact O-N 3.22Š| ||
| 6 | T | 51 | Low | 44.1 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -73 | 131.6 | 171.6 | 43.1 | 0 | 0 | 0 | 0 | 109.7 | S4 S8 | S4-T6 PolarHBondContact O-N 3.44Å; T6-S8 PolarHBondContact O-N 3.17Å | ||
| 7 | L | 48.2 | Very low | 43.9 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -52.2 | 122.1 | 174 | -75.4 | 138.8 | 0 | 0 | 0 | 110.5 | N9 | L7-N9 VanDerWaalsContact C-N 3.31Å; L7-N9 PolarHBondContact O-N 3.21Å | ||
| 8 | S | 38.6 | Very low | 43.7 | Very low | 90 Ų | 90 | 143.5 Ų | 143.5 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -72.2 | 87.5 | 168.1 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | T6 Y10 | T6-S8 PolarHBondContact O-N 3.17Å; S8-Y10 PolarHBondContact O-N 3.32Å; S8-Y10 WeakPolarHBondContact OG-CD2 3.21Å; S8-Y10 WeakPolarHBondContact OG-CE2 3.42Å | ||
| 9 | N | 41.7 | Very low | 43.6 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -87.7 | 91.3 | 161.4 | -76.8 | -38.7 | 0 | 0 | 0 | 107.3 | L7 Y11 | L7-N9 VanDerWaalsContact C-N 3.31Å; L7-N9 PolarHBondContact O-N 3.21Å; N9-Y11 PolarHBondContact O-N 2.88Å | ||
| 10 | Y | 50.6 | Low | 43.2 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -68.9 | 94.9 | 164.7 | -88 | -88.7 | 0 | 0 | 0 | 108.5 | S8 V12 | S8-Y10 PolarHBondContact O-N 3.32Å; S8-Y10 WeakPolarHBondContact OG-CD2 3.21Å; S8-Y10 WeakPolarHBondContact OG-CE2 3.42Å; Y10-V12 PolarHBondContact O-N 3.36Å | ||
| 11 | Y | 48.3 | Very low | 42.8 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 86% | 0.863 | 79% | 0.79 | S | S | * | * | trans | -77.1 | 103.3 | 157.1 | -139.5 | -96.1 | 0 | 0 | 0 | 106.3 | N9 D13 | N9-Y11 PolarHBondContact O-N 2.88Å; Y11-D13 PolarHBondContact O-N 3.32Å; Y11-D13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | V | 46.1 | Very low | 42.7 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -74.6 | 99.3 | 167.7 | 171.5 | 0 | 0 | 0 | 0 | 106.2 | Y10 S14 | Y10-V12 PolarHBondContact O-N 3.36Å; V12-S14 PolarHBondContact O-N 2.78Å; V12-S14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | D | 35.6 | Very low | 43.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | -61.4 | 99.2 | 164.6 | -156.2 | -48.9 | 0 | 0 | 0 | 108.2 | Y11 I15 | Y11-D13 PolarHBondContact O-N 3.32Å; Y11-D13 VanDerWaalsContact O-N 3.14Å; D13-I15 WeakPolarHBondContact OD1-CG2 3.39Å; D13-I15 PolarHBondContact OD1-N 2.98Å | ||
| 14 | S | 45.8 | Very low | 42.9 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -97.2 | 76.7 | 164.3 | -67.9 | 0 | 0 | 0 | 0 | 108.5 | V12 I16 | V12-S14 PolarHBondContact O-N 2.78Å; V12-S14 VanDerWaalsContact O-N 3.08Å; S14-I16 VanDerWaalsContact C-N 3.31Å; S14-I16 PolarHBondContact O-N 2.67Å | ||
| 15 | I | 44.3 | Very low | 42.1 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -52 | 94 | 148.5 | 38.1 | 159.9 | 0 | 0 | 0 | 110.1 | D13 | D13-I15 WeakPolarHBondContact OD1-CG2 3.39Å; D13-I15 PolarHBondContact OD1-N 2.98Å | ||
| 16 | I | 44.8 | Very low | 41.9 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -126.5 | 117 | 150 | -94.5 | 166.7 | 0 | 0 | 0 | 107.1 | S14 | S14-I16 VanDerWaalsContact C-N 3.31Å; S14-I16 PolarHBondContact O-N 2.67Å | ||
| 17 | S | 41.5 | Very low | 41.4 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -52.7 | 135.4 | -179.2 | -53.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 18 | H | 40.9 | Very low | 40.8 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -142.5 | 131.1 | 146 | -143.2 | -84.2 | 0 | 0 | 0 | 110.5 | ||||
| 19 | E | 40.7 | Very low | 40.5 | Very low | 159 Ų | 159 | 148.5 Ų | 148.5 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -60.1 | 139.3 | -177.9 | 179.9 | -167 | 103.6 | 0 | 0 | 113.8 | ||||
| 20 | S | 35.3 | Very low | 40 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 172.5 | 102 | 138.2 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 21 | E | 35.9 | Very low | 39.3 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 31 | 117.8 | 129.9 | -22.4 | -161.2 | 114.9 | 0 | 0 | 121.5 | |||||
| 22 | D | 36.2 | Very low | 38.8 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | 164.4 | 147.2 | 112 | -117 | -59.3 | 0 | 0 | 0 | 111.8 | |||||
| 23 | P | 48.2 | Very low | 38.1 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | trans | -110.7 | 131.5 | -166.8 | 36.9 | -23.5 | 0 | 0 | 0 | 113.8 | ||||
| 24 | T | 35.5 | Very low | 38.1 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -145 | 112.7 | 157.3 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 25 | S | 32.2 | Very low | 37.5 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 36.9 | 121.9 | 137.2 | -152.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 26 | V | 38.4 | Very low | 37 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | -175.6 | 118.3 | 107 | 155.9 | 0 | 0 | 0 | 0 | 108.3 | F28 | V26-F28 HydrophobicContact CG1-CD2 4.27Š| |||
| 27 | R | 40.6 | Very low | 36.4 | Very low | 232 Ų | 232 | 147.8 Ų | 147.8 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | -61.8 | 135.4 | 162.3 | -77.9 | 177 | 179.5 | 155.9 | -0.1 | 109 | ||||
| 28 | F | 34.7 | Very low | 36.5 | Very low | 195 Ų | 195 | 151 Ų | 151 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | -146.6 | 120.2 | 128.8 | -94.7 | -75.1 | 0 | 0 | 0 | 110.5 | V26 | V26-F28 HydrophobicContact CG1-CD2 4.27Š| |||
| 29 | S | 32.3 | Very low | 36.8 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -61.7 | 143.2 | 163.8 | 39.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 30 | N | 33.2 | Very low | 36.4 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 175.8 | 134.1 | 99.9 | -127.6 | 14.8 | 0 | 0 | 0 | 113.7 | |||||
| 31 | V | 35.8 | Very low | 36.7 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 58% | 0.576 | 78% | 0.78 | S | S | * | * | trans | 70.2 | 103.7 | 130.2 | 172.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 32 | Q | 36.8 | Very low | 36.8 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 75.1 | 128.8 | 101.8 | -56.1 | -159.6 | -2.9 | 0 | 0 | 113.7 | |||||
| 33 | Y | 31 | Very low | 37.5 | Very low | 199 Ų | 199 | 138 Ų | 138 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | -158.1 | 139.2 | 71.5 | -101.1 | -94.3 | 0 | 0 | 0 | 114.1 | |||||
| 34 | S | 36.9 | Very low | 36.9 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | 26.4 | 112.1 | 143.4 | 60.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 35 | N | 33.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | 17.5 | 124.8 | 114.9 | -128.7 | 24.4 | 0 | 0 | 0 | 118.7 | |||||
| 36 | S | 33.1 | Very low | 38.4 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 169.3 | 126.8 | 109.9 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 37 | R | 33 | Very low | 38.7 | Very low | 238 Ų | 238 | 144 Ų | 144 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -110.4 | 115.7 | 176 | -175.3 | -176.4 | -119.5 | -128.7 | 1.2 | 108.3 | ||||
| 38 | Q | 41.9 | Very low | 39.3 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -147.1 | 151.5 | 154 | -91.6 | -60.8 | -67.4 | 0 | 0 | 110.3 | ||||
| 39 | P | 48.7 | Very low | 40.4 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -99.6 | 152.6 | -168.4 | 38 | -28.3 | 0 | 0 | 0 | 112.3 | ||||
| 40 | G | 32.7 | Very low | 41.6 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | 174.6 | 119.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | G | 40.7 | Very low | 42.6 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -73.9 | 162.1 | -163 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 42 | H | 37.4 | Very low | 43.7 | Very low | 182 Ų | 182 | 138 Ų | 138 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -161.5 | 131.5 | 139.2 | -132.1 | -99.4 | 0 | 0 | 0 | 107.4 | E44 | H42-E44 PolarHBondContact O-N 2.81Š| ||
| 43 | G | 50.5 | Low | 44.8 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -70.5 | 124.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | E | 36.1 | Very low | 46.4 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -146.5 | 107.7 | 163.9 | -58.5 | -87 | 92.4 | 0 | 0 | 105.2 | H42 P46 | H42-E44 PolarHBondContact O-N 2.81Å; E44-P46 WeakPolarHBondContact O-CD 3.48Å | ||
| 45 | H | 47.7 | Very low | 47.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | trans | -74.8 | 118.7 | 178.3 | 176.4 | -93 | 0 | 0 | 0 | 108.5 | E47 | H45-E47 PolarHBondContact O-N 2.89Š| ||
| 46 | P | 51 | Low | 49.5 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | trans | -71.4 | 108.4 | 172.8 | 27.2 | -29.7 | 0 | 0 | 0 | 108.4 | E44 F48 | E44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-F48 WeakPolarHBondContact O-CD2 3.32Å; P46-F48 PolarHBondContact O-N 3.42Å | ||
| 47 | E | 45.9 | Very low | 51 | Low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -56.7 | 100.9 | 169.1 | -118.5 | 168.1 | 119.6 | 0 | 0 | 109.3 | H45 | H45-E47 PolarHBondContact O-N 2.89Š| ||
| 48 | F | 52.7 | Low | 52.8 | Low | 176 Ų | 176 | 134.2 Ų | 134.2 | 77% | 0.772 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 130.6 | 163.4 | -68.6 | -86.4 | 0 | 0 | 0 | 107.8 | P46 S50 | P46-F48 WeakPolarHBondContact O-CD2 3.32Å; P46-F48 PolarHBondContact O-N 3.42Å; F48-S50 PolarHBondContact O-N 3.06Å | ||
| 49 | P | 58.3 | Low | 54.1 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 114.2 | 177.9 | 24.9 | -31.6 | 0 | 0 | 0 | 109 | C51 | P49-C51 PolarHBondContact O-N 3.01Å; P49-C51 VanDerWaalsContact O-N 3.07Å | ||
| 50 | S | 57.8 | Low | 54.9 | Low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -55.2 | 113.9 | 171.7 | -161.2 | 0 | 0 | 0 | 0 | 108.2 | F48 S52 | F48-S50 PolarHBondContact O-N 3.06Å; S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.3Å | ||
| 51 | C | 53.8 | Low | 56.1 | Low | 121 Ų | 121 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -64.6 | 88.5 | 179.7 | -81.7 | 0 | 0 | 0 | 0 | 109.5 | P49 F53 | P49-C51 PolarHBondContact O-N 3.01Å; P49-C51 VanDerWaalsContact O-N 3.07Å; C51-F53 PolarHBondContact O-N 3.06Å; C51-F53 VanDerWaalsContact O-N 3.09Å | ||
| 52 | S | 59.6 | Low | 56.4 | Low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -72.8 | 101.4 | 165.7 | 84.6 | 0 | 0 | 0 | 0 | 107.8 | S50 Q54 | S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.3Å; S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.02Å | ||
| 53 | F | 57.9 | Low | 57.3 | Low | 196 Ų | 196 | 133.3 Ų | 133.3 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | -75.8 | 89.4 | 169.2 | -157.5 | -93.7 | 0 | 0 | 0 | 106.7 | C51 P55 | C51-F53 PolarHBondContact O-N 3.06Å; C51-F53 VanDerWaalsContact O-N 3.09Å; F53-P55 WeakPolarHBondContact O-CD 3.15Å | ||
| 54 | Q | 66.4 | Low | 57.6 | Low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -66.1 | 121.7 | 169.7 | -72.3 | -155.4 | -37.4 | 0 | 0 | 108.5 | S52 K56 | S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.02Å; Q54-K56 PolarHBondContact O-N 3.42Å; Q54-K56 VanDerWaalsContact O-N 3.09Å | ||
| 55 | P | 64.1 | Low | 58.5 | Low | 116 Ų | 116 | 137.8 Ų | 137.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -65.2 | 114.5 | 174.6 | 24.9 | -30.2 | 0 | 0 | 0 | 108.4 | F53 | F53-P55 WeakPolarHBondContact O-CD 3.15Š| ||
| 56 | K | 70.6 | Confident | 58.8 | Low | 190 Ų | 190 | 135.8 Ų | 135.8 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.8 | 170.5 | -67.8 | 178.2 | 179.2 | 175.5 | 0 | 108.5 | Q54 | Q54-K56 PolarHBondContact O-N 3.42Å; Q54-K56 VanDerWaalsContact O-N 3.09Å |
| 57 | P | 64.8 | Low | 58.7 | Low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 139.8 | 174.8 | 26.4 | -33.4 | 0 | 0 | 0 | 109.5 | V59 | P57-V59 PolarHBondContact O-N 3.21Š|
| 58 | P | 70.1 | Confident | 59 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123.4 | 178.3 | 26.4 | -32.9 | 0 | 0 | 0 | 109.5 | F60 | P58-F60 PolarHBondContact O-N 2.96Š|
| 59 | V | 69.6 | Low | 58.9 | Low | 134 Ų | 134 | 135.8 Ų | 135.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -68.5 | -14.8 | 178 | -176 | 0 | 0 | 0 | 0 | 111.7 | P57 | P57-V59 PolarHBondContact O-N 3.21Š|
| 60 | F | 66.3 | Low | 58.1 | Low | 167 Ų | 167 | 138.8 Ų | 138.8 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -122.1 | 121 | 171.5 | -68.7 | -81.1 | 0 | 0 | 0 | 109.7 | P58 S62 | P58-F60 PolarHBondContact O-N 2.96Å; F60-S62 PolarHBondContact O-N 3.43Å |
| 61 | S | 56.1 | Low | 57.3 | Low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -57.5 | 103.2 | 169.5 | -53.3 | 0 | 0 | 0 | 0 | 108.5 | S63 | S61-S63 PolarHBondContact O-N 3.32Š| ||
| 62 | S | 48.8 | Very low | 57.1 | Low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -75.9 | 73.7 | 169 | -64.3 | 0 | 0 | 0 | 0 | 108.2 | F60 W64 | F60-S62 PolarHBondContact O-N 3.43Å; S62-W64 PolarHBondContact O-N 3.14Å | ||
| 63 | S | 55.1 | Low | 56.4 | Low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -82.1 | 71.8 | 173.1 | 58.1 | 0 | 0 | 0 | 0 | 109.4 | S61 S65 | S61-S63 PolarHBondContact O-N 3.32Å; S63-S65 PolarHBondContact O-N 3.07Å | ||
| 64 | W | 56.6 | Low | 55.7 | Low | 239 Ų | 239 | 133.3 Ų | 133.3 | 91% | 0.905 | 77% | 0.771 | S | S | * | * | trans | -92.7 | 65.3 | 156.9 | -65.4 | 89.4 | 0 | 0 | 0 | 107.4 | S62 P66 | S62-W64 PolarHBondContact O-N 3.14Å; W64-P66 WeakPolarHBondContact O-CD 3.28Å | ||
| 65 | S | 56.2 | Low | 54.7 | Low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 118.9 | 165.6 | -71.2 | 0 | 0 | 0 | 0 | 107.6 | S63 F67 | S63-S65 PolarHBondContact O-N 3.07Å; S65-F67 PolarHBondContact O-N 3.17Å | ||
| 66 | P | 52.1 | Low | 54 | Low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 125.5 | 166.5 | 25.9 | -28.9 | 0 | 0 | 0 | 107.5 | W64 S68 | W64-P66 WeakPolarHBondContact O-CD 3.28Å; P66-S68 PolarHBondContact O-N 3.02Å | ||
| 67 | F | 49.8 | Very low | 53.1 | Low | 211 Ų | 211 | 129.7 Ų | 129.7 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -58 | 109.1 | 174.8 | -71.3 | -85.7 | 0 | 0 | 0 | 109.1 | S65 | S65-F67 PolarHBondContact O-N 3.17Š| ||
| 68 | S | 52.6 | Low | 52.4 | Low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -65.9 | 130.5 | 164.3 | -81.5 | 0 | 0 | 0 | 0 | 108.8 | P66 H70 | P66-S68 PolarHBondContact O-N 3.02Å; S68-H70 PolarHBondContact O-N 2.85Å | ||
| 69 | P | 50.2 | Low | 51.2 | Low | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -69.9 | 123.7 | 172.3 | 28.5 | -29.5 | 0 | 0 | 0 | 109 | A71 | P69-A71 PolarHBondContact O-N 2.84Š| ||
| 70 | H | 42.1 | Very low | 50.2 | Low | 182 Ų | 182 | 136.3 Ų | 136.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -23.3 | 119.6 | 174 | -131.3 | -75.3 | 0 | 0 | 0 | 115.9 | S68 | S68-H70 PolarHBondContact O-N 2.85Š| ||
| 71 | A | 41 | Very low | 49.3 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -79.6 | 132.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108 | P69 | P69-A71 PolarHBondContact O-N 2.84Š| ||
| 72 | S | 49.4 | Very low | 48.7 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -67.5 | 130.6 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 73 | N | 44.6 | Very low | 48.6 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 173.6 | 120.5 | 133.5 | -85.1 | -8.2 | 0 | 0 | 0 | 112.2 | ||||
| 74 | G | 43.5 | Very low | 48.1 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 99.9 | 74.1 | 137.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 75 | L | 45.5 | Very low | 47.8 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | 53.8 | 165.1 | 138.4 | -56.7 | -178.6 | 0 | 0 | 0 | 121.8 | ||||
| 76 | P | 48.2 | Very low | 47.4 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -121.6 | 167.2 | -8.3 | 32.7 | -14 | 0 | 0 | 0 | 114.9 | V78 | P76-V78 PolarHBondContact O-N 3.05Š| ||
| 77 | A | 53.6 | Low | 47.3 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 120.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 78 | V | 49.7 | Very low | 47.5 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 120.4 | 160.2 | 178 | 0 | 0 | 0 | 0 | 107.8 | P76 H80 | P76-V78 PolarHBondContact O-N 3.05Å; V78-H80 PolarHBondContact O-N 3.36Å |
| 79 | Y | 44 | Very low | 47.1 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.3 | 179.7 | -176.4 | -96.1 | 0 | 0 | 0 | 111.8 | P81 | Y79-P81 HydrophobicContact CD1-CG 4.47Å; Y79-P81 HydrophobicContact CE1-CB 3.9Å; Y79-P81 HydrophobicContact CE1-CG 4.17Å |
| 80 | H | 49.2 | Very low | 46.9 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | -108.6 | 114.5 | 165.5 | -76.6 | -74.3 | 0 | 0 | 0 | 109.4 | V78 | V78-H80 PolarHBondContact O-N 3.36Š| ||
| 81 | P | 47.6 | Very low | 47.3 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | trans | -80.2 | 127.7 | 174 | 30.8 | -27.5 | 0 | 0 | 0 | 109.7 | Y79 | Y79-P81 HydrophobicContact CD1-CG 4.47Å; Y79-P81 HydrophobicContact CE1-CB 3.9Å; Y79-P81 HydrophobicContact CE1-CG 4.17Å | ||
| 82 | Y | 42.1 | Very low | 47.9 | Very low | 215 Ų | 215 | 131.1 Ų | 131.1 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | 67.4 | 96.9 | 163.6 | -114 | -100.2 | 0 | 0 | 0 | 117.8 | P84 | Y82-P84 HydrophobicContact CD1-CG 4.36Š| ||
| 83 | I | 47.7 | Very low | 48 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -106.5 | 115 | 152.8 | -62.5 | -174.3 | 0 | 0 | 0 | 107.7 | ||||
| 84 | P | 44.9 | Very low | 48.6 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | trans | -69.4 | 142.6 | 167.2 | -15.1 | 29.9 | 0 | 0 | 0 | 111.5 | Y82 | Y82-P84 HydrophobicContact CD1-CG 4.36Š| ||
| 85 | T | 49.9 | Very low | 49.3 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -28.4 | 139.1 | 172.8 | 51.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 86 | Q | 48.3 | Very low | 50 | Low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -21.5 | 149.2 | 160.2 | -68.2 | -78.7 | -4.5 | 0 | 0 | 117.4 | ||||
| 87 | P | 48.9 | Very low | 50.5 | Low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | -138.3 | 133.8 | 117.7 | 33.1 | -17.5 | 0 | 0 | 0 | 115 | |||||
| 88 | V | 53.9 | Low | 50.6 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 71% | 0.708 | S | S | * | * | trans | 32.6 | 116.4 | 144.6 | -158.1 | 0 | 0 | 0 | 0 | 118.6 | S90 | V88-S90 PolarHBondContact O-N 2.96Š| ||
| 89 | P | 45.1 | Very low | 51.1 | Low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 110.7 | 166 | 29.8 | -29.7 | 0 | 0 | 0 | 111.2 | ||||
| 90 | S | 45.5 | Very low | 52 | Low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -58.4 | 143.1 | 164.3 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | V88 D92 | V88-S90 PolarHBondContact O-N 2.96Å; S90-D92 PolarHBondContact O-N 2.96Å | ||
| 91 | T | 51.4 | Low | 52.1 | Low | 116 Ų | 116 | 136.4 Ų | 136.4 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -60 | 6 | -174.2 | 6.7 | 0 | 0 | 0 | 0 | 116.7 | ||
| 92 | D | 51.9 | Low | 51.8 | Low | 129 Ų | 129 | 138.2 Ų | 138.2 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -95.6 | -6.6 | -166.8 | -143.4 | 10.5 | 0 | 0 | 0 | 114.2 | S90 R94 | S90-D92 PolarHBondContact O-N 2.96Å; D92-R94 VanDerWaalsContact C-N 3.34Å; D92-R94 PolarHBondContact O-N 3.08Å |
| 93 | T | 51.5 | Low | 52.1 | Low | 89 Ų | 89 | 131 Ų | 131 | 55% | 0.546 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -84.2 | -1.8 | -179.3 | 28.5 | 0 | 0 | 0 | 0 | 114.8 | Y95 | T93-Y95 VanDerWaalsContact C-N 3.3Å; T93-Y95 PolarHBondContact O-N 3.16Å |
| 94 | R | 57.8 | Low | 51.9 | Low | 185 Ų | 185 | 129 Ų | 129 | 70% | 0.698 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -70.9 | -21.6 | 178.2 | -76.8 | -162.3 | -72.6 | -141.2 | -0.2 | 114.1 | D92 T98 | D92-R94 VanDerWaalsContact C-N 3.34Å; D92-R94 PolarHBondContact O-N 3.08Å; R94-T98 PolarHBondContact O-OG1 3.24Å; R94-T98 VanDerWaalsContact O-OG1 3.07Å |
| 95 | Y | 57.8 | Low | 51.7 | Low | 182 Ų | 182 | 136.2 Ų | 136.2 | 71% | 0.714 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -80.7 | -28.6 | 179.7 | -83.3 | -80.7 | 0 | 0 | 0 | 113.7 | T93 R97 | T93-Y95 VanDerWaalsContact C-N 3.3Å; T93-Y95 PolarHBondContact O-N 3.16Å; Y95-R97 VanDerWaalsContact C-N 3.25Å; Y95-R97 PolarHBondContact O-N 3.36Å |
| 96 | I | 60.9 | Low | 51.6 | Low | 113 Ų | 113 | 134.4 Ų | 134.4 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -7.4 | -175.8 | -51.2 | -70.1 | 0 | 0 | 0 | 112.7 | W99 | I96-W99 HydrophobicContact CD1-CZ2 4.48Å; I96-W99 HydrophobicContact CG2-CZ2 4.47Å; I96-W99 PolarHBondContact O-NE1 3.21Å |
| 97 | R | 57.7 | Low | 50.9 | Low | 192 Ų | 192 | 134.7 Ų | 134.7 | 73% | 0.725 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -7.1 | -178.4 | -63.5 | -177.2 | -175.3 | -103.9 | 1 | 114.7 | Y95 W99 L100 | Y95-R97 VanDerWaalsContact C-N 3.25Å; Y95-R97 PolarHBondContact O-N 3.36Å; R97-W99 VanDerWaalsContact C-N 3.32Å; R97-W99 PolarHBondContact O-N 3Å; R97-L100 PolarHBondContact O-N 3.31Å |
| 98 | T | 56.9 | Low | 50.4 | Low | 97 Ų | 97 | 134.6 Ų | 134.6 | 60% | 0.595 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -20.2 | -172.6 | -77.1 | 0 | 0 | 0 | 0 | 114.3 | R94 | R94-T98 PolarHBondContact O-OG1 3.24Å; R94-T98 VanDerWaalsContact O-OG1 3.07Å |
| 99 | W | 60.5 | Low | 49.7 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 70% | 0.697 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -5.9 | 176 | 31.1 | 57.2 | 0 | 0 | 0 | 114.6 | I96 R97 | I96-W99 HydrophobicContact CD1-CZ2 4.48Å; I96-W99 HydrophobicContact CG2-CZ2 4.47Å; I96-W99 PolarHBondContact O-NE1 3.21Å; R97-W99 VanDerWaalsContact C-N 3.32Å; R97-W99 PolarHBondContact O-N 3Å |
| 100 | L | 61.7 | Low | 49.7 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -94 | -12.4 | 177.4 | -76.6 | 162.1 | 0 | 0 | 0 | 113.2 | R97 | R97-L100 PolarHBondContact O-N 3.31Š|
| 101 | D | 52 | Low | 49.2 | Very low | 127 Ų | 127 | 136 Ų | 136 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | -110.8 | 85.3 | -177.4 | -162.3 | -126.3 | 0 | 0 | 0 | 110.1 | ||||
| 102 | C | 42 | Very low | 48.7 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 87% | 0.865 | 73% | 0.733 | S | S | * | * | trans | -95.9 | 72.7 | 162.4 | -78.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 103 | A | 48.4 | Very low | 47.9 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | trans | -94.5 | 135.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R105 | A103-R105 PolarHBondContact O-N 3.45Š| ||
| 104 | P | 43.3 | Very low | 47.3 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -66.8 | 121.1 | 174.3 | 27.8 | -31.6 | 0 | 0 | 0 | 109.1 | S106 | P104-S106 VanDerWaalsContact C-N 3.33Å; P104-S106 PolarHBondContact O-N 2.96Å | ||
| 105 | R | 40.7 | Very low | 46.4 | Very low | 247 Ų | 247 | 140.6 Ų | 140.6 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | -76.3 | 82.7 | -178.6 | -159.4 | 179 | -163.2 | -121 | 3.2 | 110.3 | A103 | A103-R105 PolarHBondContact O-N 3.45Š| ||
| 106 | S | 46.5 | Very low | 45.4 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | -101.5 | 102 | 157.5 | 51.1 | 0 | 0 | 0 | 0 | 107.8 | P104 | P104-S106 VanDerWaalsContact C-N 3.33Å; P104-S106 PolarHBondContact O-N 2.96Å | ||
| 107 | E | 34 | Very low | 44.3 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 179.6 | 139.6 | 130.3 | -98 | 175.5 | 127.6 | 0 | 0 | 112.7 | ||||
| 108 | S | 38.5 | Very low | 43.4 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 138.6 | 176.5 | 28 | 0 | 0 | 0 | 0 | 116.6 | ||
| 109 | L | 40.6 | Very low | 42.5 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -103 | 137.1 | 158 | -112.5 | 84 | 0 | 0 | 0 | 109.9 | ||
| 110 | P | 45.1 | Very low | 41.3 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 149.6 | 169 | 35.5 | -29 | 0 | 0 | 0 | 111.5 | ||
| 111 | G | 34.1 | Very low | 40.3 | Very low | 71 Ų | 71 | 140.5 Ų | 140.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 95.4 | 93.7 | 139 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 112 | Q | 41.6 | Very low | 39.5 | Very low | 209 Ų | 209 | 137.9 Ų | 137.9 | 98% | 0.977 | 79% | 0.791 | S | S | * | * | trans | 67.8 | 113.7 | 136.4 | -56 | -145.8 | -48.6 | 0 | 0 | 121.2 | ||||
| 113 | G | 34 | Very low | 39.5 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -169.3 | 92.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | V115 | G113-V115 PolarHBondContact O-N 2.95Š| ||
| 114 | Q | 39.6 | Very low | 39.1 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -60.8 | 122.2 | 171.3 | -77.9 | 179.3 | -74.2 | 0 | 0 | 109.5 | ||||
| 115 | V | 38.3 | Very low | 38.6 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -129.9 | 96.8 | 153.1 | -115.2 | 0 | 0 | 0 | 0 | 107.3 | G113 M117 | G113-V115 PolarHBondContact O-N 2.95Å; V115-M117 PolarHBondContact O-N 3.01Å | ||
| 116 | K | 36.3 | Very low | 38.5 | Very low | 168 Ų | 168 | 139 Ų | 139 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -62.7 | 107.2 | 167.4 | 176.9 | -174.4 | 172.9 | -161.2 | 0 | 107.3 | E118 | K116-E118 WeakPolarHBondContact CE-OE2 3.45Å; K116-E118 IonicContact NZ-OE2 2.79Å; K116-E118 PolarHBondContact NZ-OE2 3.39Å | ||
| 117 | M | 39 | Very low | 38.6 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -103.8 | 95.3 | 161.6 | 51.3 | -166.7 | -114.2 | 0 | 0 | 108 | V115 | V115-M117 PolarHBondContact O-N 3.01Š| ||
| 118 | E | 38.4 | Very low | 39.3 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 57% | 0.57 | 80% | 0.796 | S | S | * | * | trans | -72.5 | 134.1 | 171.2 | -173.8 | -177.2 | 120.6 | 0 | 0 | 109.4 | K116 L120 | K116-E118 WeakPolarHBondContact CE-OE2 3.45Å; K116-E118 IonicContact NZ-OE2 2.79Å; K116-E118 PolarHBondContact NZ-OE2 3.39Å; E118-L120 PolarHBondContact O-N 3.37Å | ||
| 119 | P | 38.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -87.8 | 105.8 | 169 | 31.6 | -24.5 | 0 | 0 | 0 | 108.7 | L121 | P119-L121 PolarHBondContact O-N 3.3Š| ||
| 120 | L | 35.4 | Very low | 39.3 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -78.7 | 109.5 | 172.8 | -152 | -178.7 | 0 | 0 | 0 | 109.1 | E118 G122 | E118-L120 PolarHBondContact O-N 3.37Å; L120-G122 PolarHBondContact O-N 3.3Å | ||
| 121 | L | 41.3 | Very low | 38.8 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -64.6 | 105.5 | 166.7 | -169 | 77.2 | 0 | 0 | 0 | 109.8 | P119 | P119-L121 PolarHBondContact O-N 3.3Š| ||
| 122 | G | 34.1 | Very low | 38.8 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -112.5 | 119.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L120 | L120-G122 PolarHBondContact O-N 3.3Š| ||
| 123 | H | 41.5 | Very low | 38.8 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -95.5 | 150.6 | -176.8 | -178.2 | 64.7 | 0 | 0 | 0 | 111.5 | ||||
| 124 | L | 40 | Very low | 38.9 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 74.9 | 121.4 | 159.2 | -120.1 | 87.5 | 0 | 0 | 0 | 120.3 | ||||
| 125 | G | 33.3 | Very low | 38.7 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -176.9 | 96.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 126 | E | 39 | Very low | 38.9 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 149.4 | 179.9 | -151.1 | -164.9 | 146.5 | 0 | 0 | 115.2 | ||
| 127 | P | 49 | Very low | 39 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 135.5 | 161.5 | 33.8 | -27.9 | 0 | 0 | 0 | 111.7 | ||
| 128 | P | 48.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136 | -178.7 | 29.7 | -31.5 | 0 | 0 | 0 | 112.1 | ||
| 129 | K | 40 | Very low | 38.6 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 124.1 | 167.7 | -66.7 | -179.6 | 177.5 | 176.8 | 0 | 110.4 | ||
| 130 | I | 39.5 | Very low | 38.6 | Very low | 172 Ų | 172 | 141 Ų | 141 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -145.9 | 125.5 | 154.2 | -55.9 | 174.1 | 0 | 0 | 0 | 102.7 | ||||
| 131 | G | 33.8 | Very low | 38.6 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 140.9 | 103.2 | 23 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 132 | G | 34.4 | Very low | 38.5 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 36.5 | 119.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 133 | H | 40.2 | Very low | 39 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | -147.2 | 121.5 | 121.5 | -135.6 | -86.2 | 0 | 0 | 0 | 111.5 | |||||
| 134 | E | 37.3 | Very low | 38.9 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -71 | 134 | 172.2 | -170.4 | -175.8 | 136.8 | 0 | 0 | 109.5 | ||||
| 135 | Y | 35.8 | Very low | 39 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -149.8 | 119.8 | 141.6 | 65 | -85.9 | 0 | 0 | 0 | 109.2 | ||||
| 136 | I | 42.7 | Very low | 39.3 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 130.6 | 167.6 | -73.5 | 165.2 | 0 | 0 | 0 | 107.1 | ||||
| 137 | L | 36.8 | Very low | 39.1 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -155.9 | 124.8 | 145.5 | -164.1 | 63.2 | 0 | 0 | 0 | 111.3 | ||||
| 138 | E | 34.9 | Very low | 38.8 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -54 | 151.1 | 172.7 | -71.7 | 174 | 90.7 | 0 | 0 | 114 | ||||
| 139 | S | 35.1 | Very low | 38.5 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 159.9 | 120.8 | 100.2 | -160.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 140 | S | 38.9 | Very low | 38.2 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 39.6 | 121.2 | 134.3 | -42.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 141 | S | 34 | Very low | 38.3 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 179.7 | 111.7 | 106.7 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 142 | A | 39.5 | Very low | 38.6 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -61.2 | 140.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 143 | R | 44.6 | Very low | 39.1 | Very low | 231 Ų | 231 | 143.3 Ų | 143.3 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -143.5 | 99.4 | 150.9 | -64.2 | -165.7 | 178.5 | -159 | -2.3 | 108 | ||||
| 144 | E | 40.4 | Very low | 39.4 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -60.9 | 136.5 | 159.5 | -61.8 | -170.9 | 106.2 | 0 | 0 | 108.9 | ||||
| 145 | M | 41.3 | Very low | 39.8 | Very low | 184 Ų | 184 | 142 Ų | 142 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -133.8 | 90.3 | 156.7 | -155.8 | 92.3 | 107 | 0 | 0 | 107.8 | ||||
| 146 | N | 39.2 | Very low | 40.3 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -63.6 | 124.1 | 153.5 | 175.4 | 35.2 | 0 | 0 | 0 | 108.1 | ||||
| 147 | S | 35.3 | Very low | 40.8 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -138.6 | 113.3 | 154 | -168.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 148 | S | 42.8 | Very low | 41.7 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | trans | -72.4 | 168.6 | 175.8 | -41.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 149 | Q | 42.1 | Very low | 42.6 | Very low | 202 Ų | 202 | 137.6 Ų | 137.6 | 94% | 0.944 | 78% | 0.775 | S | S | * | * | trans | 93.6 | 125.2 | 158.5 | -78.7 | 178.9 | -24.3 | 0 | 0 | 120.4 | ||||
| 150 | G | 33 | Very low | 43.5 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 153.7 | 59.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 151 | S | 41.6 | Very low | 43.7 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | 44.2 | 99.6 | 87.2 | -175.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 152 | G | 41 | Very low | 44 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | 87 | 109.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 153 | F | 44.7 | Very low | 44.2 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | 155.3 | 82.7 | 121.7 | -170.5 | -101.4 | 0 | 0 | 0 | 110.4 | N156 | F153-N156 HydrophobicContact CE1-CB 4.23Å; F153-N156 WeakPolarHBondContact CZ-ND2 3.38Å | |||
| 154 | E | 46.6 | Very low | 44.6 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -124.9 | 115.4 | 155.3 | -57 | -169.6 | 118.8 | 0 | 0 | 102 | ||||
| 155 | D | 45.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | -141.5 | 135 | 55 | -78.5 | -89.6 | 0 | 0 | 0 | 111.8 | |||||
| 156 | N | 47.3 | Very low | 45.4 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | trans | -130.8 | 67.7 | 151.9 | -108.7 | -105.7 | 0 | 0 | 0 | 107.4 | F153 D158 | F153-N156 HydrophobicContact CE1-CB 4.23Å; F153-N156 WeakPolarHBondContact CZ-ND2 3.38Å; N156-D158 PolarHBondContact O-N 3.48Å | ||
| 157 | K | 52.5 | Low | 45.7 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -87.9 | 59.3 | 170.1 | -170.1 | -165.3 | 170.9 | -177.6 | 0 | 109.1 | ||||
| 158 | D | 54.9 | Low | 46.6 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -148.3 | 104.7 | 169.3 | -77.6 | -64.7 | 0 | 0 | 0 | 108.1 | N156 | N156-D158 PolarHBondContact O-N 3.48Š| ||
| 159 | I | 55.2 | Low | 47.2 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 177.2 | 117 | 133.9 | -86.7 | 151.3 | 0 | 0 | 0 | 107.2 | ||
| 160 | C | 53.4 | Low | 47.7 | Very low | 75 Ų | 75 | 136 Ų | 136 | 51% | 0.507 | 78% | 0.781 | S | S | . | * | trans | 95.6 | 45.5 | 170.8 | -59.1 | 0 | 0 | 0 | 0 | 118.5 | C189 | C160-C189 PolarHBondContact SG-SG 3.4Š| ||
| 161 | E | 43.2 | Very low | 49 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 98% | 0.977 | 79% | 0.786 | S | S | * | * | trans | -83.6 | 115.6 | 133.4 | -75.2 | -142.6 | 141.3 | 0 | 0 | 108.2 | ||||
| 162 | G | 39.3 | Very low | 49.9 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -125.4 | 122.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 163 | S | 43.9 | Very low | 50.9 | Low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -25.2 | 133.5 | -173.5 | -54.7 | 0 | 0 | 0 | 0 | 117.6 | D165 | S163-D165 PolarHBondContact O-N 3.06Š| ||
| 164 | E | 52.8 | Low | 51.7 | Low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -68 | 104.7 | 153.8 | -63.4 | 172 | 106.4 | 0 | 0 | 108.4 | ||||
| 165 | D | 43.4 | Very low | 52.2 | Low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | -122.3 | 109.6 | 161.3 | -76.2 | -60.6 | 0 | 0 | 0 | 108.4 | S163 | S163-D165 PolarHBondContact O-N 3.06Š| ||
| 166 | K | 54.7 | Low | 52.7 | Low | 198 Ų | 198 | 130.7 Ų | 130.7 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | trans | -59.5 | 129.4 | 162 | -84.4 | -178.9 | 165.9 | -178.3 | 0 | 108.3 | ||||
| 167 | D | 46.6 | Very low | 53.2 | Low | 161 Ų | 161 | 130 Ų | 130 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | -171.2 | 126.3 | 128.3 | -93.2 | -39.7 | 0 | 0 | 0 | 109.8 | |||||
| 168 | G | 54.4 | Low | 53.6 | Low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | -79.2 | 148.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 169 | P | 55.2 | Low | 53.9 | Low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | -142.1 | 145.4 | 125.8 | 26.5 | -6.9 | 0 | 0 | 0 | 114.9 | |||||
| 170 | D | 51.6 | Low | 54 | Low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | 26 | 111.7 | 160.1 | -141.8 | -29.5 | 0 | 0 | 0 | 120.5 | N172 | D170-N172 PolarHBondContact O-N 3.28Š| ||
| 171 | Q | 61.9 | Low | 54.3 | Low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -93.9 | 76.2 | 176.2 | -68.4 | -177.8 | -5.9 | 0 | 0 | 111.5 | ||||
| 172 | N | 59 | Low | 55.1 | Low | 150 Ų | 150 | 128.6 Ų | 128.6 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | trans | -150.7 | 35.5 | 170.4 | -82 | -64.8 | 0 | 0 | 0 | 115.3 | D170 | D170-N172 PolarHBondContact O-N 3.28Š| ||
| 173 | D | 63.5 | Low | 56.3 | Low | 93 Ų | 93 | 130.1 Ų | 130.1 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | trans | -134 | 110.6 | 165.8 | -173.8 | -3.1 | 0 | 0 | 0 | 111.8 | S175 A176 | D173-S175 PolarHBondContact O-N 3.41Å; D173-S175 VanDerWaalsContact OD1-CB 3.25Å; D173-S175 WeakPolarHBondContact OD1-CB 3.43Å; D173-S175 PolarHBondContact OD1-N 3.28Å; D173-S175 PolarHBondContact OD1-OG 3.17Å; D173-A176 HydrophobicContact CB-CB 4.09Å | ||
| 174 | P | 60.6 | Low | 57.5 | Low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -14.7 | 178.2 | 27.9 | -34.3 | 0 | 0 | 0 | 113.7 | ||
| 175 | S | 57.7 | Low | 58.6 | Low | 80 Ų | 80 | 128.7 Ų | 128.7 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -34.2 | -176.9 | -44.2 | 0 | 0 | 0 | 0 | 112.4 | D173 N177 W178 | D173-S175 PolarHBondContact O-N 3.41Å; D173-S175 VanDerWaalsContact OD1-CB 3.25Å; D173-S175 WeakPolarHBondContact OD1-CB 3.43Å; D173-S175 PolarHBondContact OD1-N 3.28Å; D173-S175 PolarHBondContact OD1-OG 3.17Å; S175-N177 PolarHBondContact O-N 3.48Å; S175-W178 PolarHBondContact O-N 2.95Å |
| 176 | A | 56.6 | Low | 60.5 | Low | 27 Ų | 27 | 130.9 Ų | 130.9 | 22% | 0.223 | 69% | 0.687 | C | S | . | * | H | α-helix | trans | -61.9 | -26.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D173 W178 L179 H180 | D173-A176 HydrophobicContact CB-CB 4.09Å; A176-W178 VanDerWaalsContact C-N 3.28Å; A176-W178 PolarHBondContact O-N 3.39Å; A176-L179 PolarHBondContact O-N 3.46Å; A176-H180 WeakPolarHBondContact O-CB 3.33Å; A176-H180 PolarHBondContact O-CD2 3.45Å; A176-H180 PolarHBondContact O-N 3.15Å |
| 177 | N | 57.8 | Low | 62 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 60% | 0.599 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.6 | -28.9 | 180 | -162.8 | 33.7 | 0 | 0 | 0 | 113.4 | S175 A181 | S175-N177 PolarHBondContact O-N 3.48Å; N177-A181 WeakPolarHBondContact O-CA 3.14Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 2.97Å |
| 178 | W | 60.1 | Low | 64.1 | Low | 211 Ų | 211 | 133.2 Ų | 133.2 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78.2 | -35.6 | 179.5 | -71.3 | 88.5 | 0 | 0 | 0 | 113.2 | S175 A176 | S175-W178 PolarHBondContact O-N 2.95Å; A176-W178 VanDerWaalsContact C-N 3.28Å; A176-W178 PolarHBondContact O-N 3.39Å |
| 179 | L | 60.4 | Low | 65.9 | Low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.7 | -37.9 | 175.4 | -63.9 | 173.6 | 0 | 0 | 0 | 110.7 | A176 | A176-L179 PolarHBondContact O-N 3.46Å |
| 180 | H | 58.8 | Low | 67.9 | Low | 116 Ų | 116 | 132.6 Ų | 132.6 | 54% | 0.537 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -80.4 | -16 | 174.9 | -62.5 | -56.9 | 0 | 0 | 0 | 114.2 | A176 R182 S183 S184 | A176-H180 WeakPolarHBondContact O-CB 3.33Å; A176-H180 PolarHBondContact O-CD2 3.45Å; A176-H180 PolarHBondContact O-N 3.15Å; H180-R182 PolarHBondContact O-N 2.89Å; H180-R182 VanDerWaalsContact O-N 3.08Å; H180-S183 PolarHBondContact O-N 3.16Å; H180-S184 PolarHBondContact O-N 3.19Å |
| 181 | A | 59.7 | Low | 70.1 | Confident | 29 Ų | 29 | 129 Ų | 129 | 24% | 0.24 | 64% | 0.643 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -19.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N177 R185 | N177-A181 WeakPolarHBondContact O-CA 3.14Å; N177-A181 WeakPolarHBondContact O-CB 3.36Å; N177-A181 PolarHBondContact O-N 2.97Å; A181-R185 VanDerWaalsContact O-CZ 3.31Å; A181-R185 PolarHBondContact O-NE 3.47Å; A181-R185 PolarHBondContact O-NH2 3.37Å |
| 182 | R | 60 | Low | 71.9 | Confident | 223 Ų | 223 | 123.8 Ų | 123.8 | 84% | 0.842 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -28.3 | 171.5 | -77 | -174.6 | 166.4 | -176.4 | -2.5 | 113 | H180 | H180-R182 PolarHBondContact O-N 2.89Å; H180-R182 VanDerWaalsContact O-N 3.08Å |
| 183 | S | 63.8 | Low | 73.7 | Confident | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -37.4 | -175.6 | -159.5 | 0 | 0 | 0 | 0 | 112.8 | H180 | H180-S183 PolarHBondContact O-N 3.16Š|
| 184 | S | 69 | Low | 75.4 | Confident | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -83.5 | -11.3 | -177.4 | 178.2 | 0 | 0 | 0 | 0 | 114.5 | H180 K186 | H180-S184 PolarHBondContact O-N 3.19Å; S184-K186 PolarHBondContact O-N 3Å |
| 185 | R | 76.5 | Confident | 77.2 | Confident | 164 Ų | 164 | 123.9 Ų | 123.9 | 62% | 0.619 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -76.1 | 127.5 | 176.8 | -97.3 | -177 | -71 | -176.8 | -5.9 | 110.6 | A181 K187 | A181-R185 VanDerWaalsContact O-CZ 3.31Å; A181-R185 PolarHBondContact O-NE 3.47Å; A181-R185 PolarHBondContact O-NH2 3.37Å; R185-K187 PolarHBondContact O-N 2.85Å; R185-K187 VanDerWaalsContact O-N 3.17Å |
| 186 | K | 81.9 | Confident | 79.1 | Confident | 189 Ų | 189 | 122.3 Ų | 122.3 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | trans | -39.8 | 123.4 | 169.4 | -171.3 | 89 | 115.9 | 172.8 | 0 | 109.7 | S184 R188 | S184-K186 PolarHBondContact O-N 3Å; K186-R188 PolarHBondContact O-N 3.18Å | ||
| 187 | K | 86.8 | Confident | 81.1 | Confident | 178 Ų | 178 | 126.1 Ų | 126.1 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | trans | -50.4 | 131.7 | 177.4 | -176.3 | -179.5 | 178.2 | -176.1 | 0 | 109.3 | R185 C189 | R185-K187 PolarHBondContact O-N 2.85Å; R185-K187 VanDerWaalsContact O-N 3.17Å; K187-C189 PolarHBondContact O-N 3.4Å | ||
| 188 | R | 90.9 | Very high | 83.1 | Confident | 231 Ų | 231 | 123 Ų | 123 | 87% | 0.872 | 58% | 0.584 | S | S | * | * | trans | -66.1 | 129.6 | 176.8 | -73.8 | -174 | 168.9 | -177.7 | -2.8 | 109.5 | K186 | K186-R188 PolarHBondContact O-N 3.18Š| ||
| 189 | C | 92.9 | Very high | 84.9 | Confident | 63 Ų | 63 | 113 Ų | 113 | 43% | 0.426 | 55% | 0.546 | S | S | . | . | trans | -104.4 | 119.5 | 171.1 | -58.6 | 0 | 0 | 0 | 0 | 107.5 | C160 K187 | C160-C189 PolarHBondContact SG-SG 3.4Å; K187-C189 PolarHBondContact O-N 3.4Å | ||
| 190 | P | 96.3 | Very high | 86.8 | Confident | 124 Ų | 124 | 109.8 Ų | 109.8 | 81% | 0.805 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 146.6 | 174.1 | 29 | -33.1 | 0 | 0 | 0 | 109.9 | ||
| 191 | Y | 98.2 | Very high | 88.6 | Confident | 69 Ų | 69 | 109.8 Ų | 109.8 | 27% | 0.271 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 148.2 | 172.8 | -59 | -34.2 | 0 | 0 | 0 | 110.5 | L199 L223 Q227 W231 | Y191-L199 HydrophobicContact CD2-CD1 4.26Å; Y191-L223 HydrophobicContact CD1-CD2 4.03Å; Y191-L223 HydrophobicContact CE1-CD1 4.4Å; Y191-L223 HydrophobicContact CE1-CD2 3.87Å; Y191-Q227 WeakPolarHBondContact OH-CB 3.04Å; Y191-W231 AromaticContact CD2-CD1 3.8Å; Y191-W231 HydrophobicContact CE2-CB 4.27Å; Y191-W231 AromaticContact CE2-CD1 3.58Å; Y191-W231 HydrophobicContact CE2-CG 4.23Å |
| 192 | T | 98.5 | Very high | 90.5 | Very high | 76 Ų | 76 | 109.2 Ų | 109.2 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 164.5 | 175.6 | 72.1 | 0 | 0 | 0 | 0 | 110.7 | Y194 Q195 T196 | T192-Y194 VanDerWaalsContact C-N 3.31Å; T192-Y194 PolarHBondContact O-N 3.08Å; T192-Q195 PolarHBondContact O-N 2.8Å; T192-Q195 VanDerWaalsContact OG1-CG 3.29Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.34Å; T192-Q195 PolarHBondContact OG1-N 3.09Å; T192-Q195 VanDerWaalsContact OG1-N 3.16Å; T192-T196 PolarHBondContact O-N 3.32Å; T192-T196 PolarHBondContact O-OG1 2.93Å |
| 193 | K | 98.3 | Very high | 92.3 | Very high | 187 Ų | 187 | 98.9 Ų | 98.9 | 81% | 0.813 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | 175.1 | -67.2 | -175.7 | -179.4 | 179.5 | 0 | 111.1 | T196 L197 | K193-T196 PolarHBondContact O-N 3.35Å; K193-L197 WeakPolarHBondContact O-CG 3.38Å; K193-L197 PolarHBondContact O-N 2.91Å |
| 194 | Y | 98.4 | Very high | 94 | Very high | 135 Ų | 135 | 100.7 Ų | 100.7 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 176.8 | 173.7 | -105.7 | 0 | 0 | 0 | 112.2 | T192 T196 L197 E198 L221 | T192-Y194 VanDerWaalsContact C-N 3.31Å; T192-Y194 PolarHBondContact O-N 3.08Å; Y194-T196 VanDerWaalsContact C-N 3.27Å; Y194-T196 PolarHBondContact O-N 3.08Å; Y194-L197 PolarHBondContact O-N 3.42Å; Y194-E198 HydrophobicContact CD2-CG 4.28Å; Y194-E198 HydrophobicContact CE1-CG 4.39Å; Y194-E198 HydrophobicContact CE2-CG 3.72Å; Y194-E198 PolarHBondContact O-N 3.38Å; Y194-L221 HydrophobicContact CD1-CD2 4.26Å; Y194-L221 HydrophobicContact CE1-CD2 3.69Å |
| 195 | Q | 98.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 103.3 Ų | 103.3 | 13% | 0.131 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 177 | -74.1 | 173.3 | -27.4 | 0 | 0 | 111.8 | T192 L199 L221 | T192-Q195 PolarHBondContact O-N 2.8Å; T192-Q195 VanDerWaalsContact OG1-CG 3.29Å; T192-Q195 WeakPolarHBondContact OG1-CG 3.34Å; T192-Q195 PolarHBondContact OG1-N 3.09Å; T192-Q195 VanDerWaalsContact OG1-N 3.16Å; Q195-L199 WeakPolarHBondContact O-CB 3.37Å; Q195-L199 WeakPolarHBondContact O-CD1 3.42Å; Q195-L199 WeakPolarHBondContact O-CG 3.29Å; Q195-L199 PolarHBondContact O-N 2.87Å; Q195-L199 VanDerWaalsContact O-N 3.08Å; Q195-L221 HydrophobicContact CG-CB 4.32Å; Q195-L221 PolarHBondContact NE2-O 2.89Å |
| 196 | T | 98.6 | Very high | 96.4 | Very high | 47 Ų | 47 | 98.8 Ų | 98.8 | 29% | 0.288 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 179 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | T192 K193 Y194 L199 E200 | T192-T196 PolarHBondContact O-N 3.32Å; T192-T196 PolarHBondContact O-OG1 2.93Å; K193-T196 PolarHBondContact O-N 3.35Å; Y194-T196 VanDerWaalsContact C-N 3.27Å; Y194-T196 PolarHBondContact O-N 3.08Å; T196-L199 PolarHBondContact O-N 3.33Å; T196-E200 WeakPolarHBondContact O-CG 3.37Å; T196-E200 PolarHBondContact O-N 3.17Å |
| 197 | L | 98.6 | Very high | 97.1 | Very high | 108 Ų | 108 | 92.9 Ų | 92.9 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63 | -47.1 | -179.9 | -72.8 | 172.7 | 0 | 0 | 0 | 112.3 | K193 Y194 L199 E200 K201 | K193-L197 WeakPolarHBondContact O-CG 3.38Å; K193-L197 PolarHBondContact O-N 2.91Å; Y194-L197 PolarHBondContact O-N 3.42Å; L197-L199 VanDerWaalsContact C-N 3.35Å; L197-L199 PolarHBondContact O-N 3.14Å; L197-E200 PolarHBondContact O-N 2.93Å; L197-K201 WeakPolarHBondContact O-CB 3.3Å; L197-K201 PolarHBondContact O-N 3.05Å |
| 198 | E | 98.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 91.1 Ų | 91.1 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | 178.8 | -73 | -58.2 | 112.6 | 0 | 0 | 111.8 | Y194 E200 K201 E202 L221 | Y194-E198 HydrophobicContact CD2-CG 4.28Å; Y194-E198 HydrophobicContact CE1-CG 4.39Å; Y194-E198 HydrophobicContact CE2-CG 3.72Å; Y194-E198 PolarHBondContact O-N 3.38Å; E198-E200 VanDerWaalsContact C-N 3.32Å; E198-E200 PolarHBondContact O-N 3.05Å; E198-K201 PolarHBondContact O-N 3.07Å; E198-K201 IonicContact OE1-NZ 2.81Å; E198-K201 PolarHBondContact OE1-NZ 2.98Å; E198-K201 IonicContact OE2-NZ 3.91Å; E198-K201 PolarHBondContact OE2-NZ 2.79Å; E198-E202 WeakPolarHBondContact O-CG 3.31Å; E198-E202 PolarHBondContact O-N 3.22Å; E198-L221 HydrophobicContact CB-CD1 4.08Å; E198-L221 HydrophobicContact CB-CD2 3.59Å; E198-L221 HydrophobicContact CB-CG 4.4Å; E198-L221 HydrophobicContact CG-CD2 3.94Å |
| 199 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 172.6 | -72.9 | 167.1 | 0 | 0 | 0 | 112.1 | Y191 Q195 T196 L197 F203 V217 L221 L223 V228 W231 F232 | Y191-L199 HydrophobicContact CD2-CD1 4.26Å; Q195-L199 WeakPolarHBondContact O-CB 3.37Å; Q195-L199 WeakPolarHBondContact O-CD1 3.42Å; Q195-L199 WeakPolarHBondContact O-CG 3.29Å; Q195-L199 PolarHBondContact O-N 2.87Å; Q195-L199 VanDerWaalsContact O-N 3.08Å; T196-L199 PolarHBondContact O-N 3.33Å; L197-L199 VanDerWaalsContact C-N 3.35Å; L197-L199 PolarHBondContact O-N 3.14Å; L199-F203 WeakPolarHBondContact O-CB 3.38Å; L199-F203 PolarHBondContact O-N 3.46Å; L199-V217 HydrophobicContact CD2-CG1 4.09Å; L199-L221 HydrophobicContact CD1-CD1 4.46Å; L199-L221 HydrophobicContact CD2-CD1 3.9Å; L199-L221 HydrophobicContact CG-CD1 3.68Å; L199-L223 HydrophobicContact CD1-CD1 4.19Å; L199-V228 HydrophobicContact CD2-CG1 4.21Å; L199-W231 HydrophobicContact CB-CD2 3.85Å; L199-W231 HydrophobicContact CB-CE3 3.85Å; L199-W231 HydrophobicContact CB-CH2 3.65Å; L199-W231 HydrophobicContact CB-CZ2 3.62Å; L199-W231 HydrophobicContact CB-CZ3 3.76Å; L199-W231 HydrophobicContact CD1-CB 4.43Å; L199-W231 HydrophobicContact CD1-CD2 3.83Å; L199-W231 HydrophobicContact CD1-CE3 4.47Å; L199-W231 HydrophobicContact CD1-CG 3.79Å; L199-W231 HydrophobicContact CD2-CD2 4.33Å; L199-W231 HydrophobicContact CD2-CE3 4.19Å; L199-W231 HydrophobicContact CG-CD2 4.22Å; L199-W231 HydrophobicContact CG-CE3 4.39Å; L199-W231 VanDerWaalsContact O-CH2 3.31Å; L199-W231 WeakPolarHBondContact O-CH2 3.34Å; L199-W231 VanDerWaalsContact O-CZ3 3.3Å; L199-W231 WeakPolarHBondContact O-CZ3 3.44Å; L199-F232 HydrophobicContact CD2-CE2 4.06Å |
| 200 | E | 98.7 | Very high | 98.3 | Very high | 79 Ų | 79 | 82.3 Ų | 82.3 | 37% | 0.369 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 175.8 | -75.1 | -173.1 | 174.6 | 0 | 0 | 112.3 | T196 L197 E198 E202 F203 L204 W231 | T196-E200 WeakPolarHBondContact O-CG 3.37Å; T196-E200 PolarHBondContact O-N 3.17Å; L197-E200 PolarHBondContact O-N 2.93Å; E198-E200 VanDerWaalsContact C-N 3.32Å; E198-E200 PolarHBondContact O-N 3.05Å; E200-E202 PolarHBondContact O-N 3.08Å; E200-F203 WeakPolarHBondContact O-CB 3.42Å; E200-F203 PolarHBondContact O-N 3.28Å; E200-F203 VanDerWaalsContact O-N 3.16Å; E200-L204 WeakPolarHBondContact O-CG 3.38Å; E200-L204 PolarHBondContact O-N 3.46Å; E200-W231 HydrophobicContact CG-CH2 3.93Å; E200-W231 HydrophobicContact CG-CZ2 3.87Å |
| 201 | K | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 85 Ų | 85 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 174.2 | 174.6 | -176.6 | 161 | -160.2 | 0 | 111.6 | L197 E198 F203 L204 F205 | L197-K201 WeakPolarHBondContact O-CB 3.3Å; L197-K201 PolarHBondContact O-N 3.05Å; E198-K201 PolarHBondContact O-N 3.07Å; E198-K201 IonicContact OE1-NZ 2.81Å; E198-K201 PolarHBondContact OE1-NZ 2.98Å; E198-K201 IonicContact OE2-NZ 3.91Å; E198-K201 PolarHBondContact OE2-NZ 2.79Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 2.87Å; K201-L204 PolarHBondContact O-N 3.28Å; K201-F205 PolarHBondContact O-N 3.49Å |
| 202 | E | 98.5 | Very high | 98.4 | Very high | 18 Ų | 18 | 87 Ų | 87 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 176 | -71.5 | -61.9 | 136.8 | 0 | 0 | 112.4 | E198 E200 L204 F205 N206 R213 V217 F232 | E198-E202 WeakPolarHBondContact O-CG 3.31Å; E198-E202 PolarHBondContact O-N 3.22Å; E200-E202 PolarHBondContact O-N 3.08Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 3.48Å; E202-F205 PolarHBondContact O-N 2.97Å; E202-N206 PolarHBondContact O-N 3.39Å; E202-R213 IonicContact OE1-CZ 3.77Å; E202-R213 IonicContact OE1-NE 2.67Å; E202-R213 IonicContact OE1-NH2 3.64Å; E202-R213 PolarHBondContact OE1-NH2 2.98Å; E202-R213 IonicContact OE2-CZ 2.78Å; E202-R213 VanDerWaalsContact OE2-CZ 3.31Å; E202-R213 IonicContact OE2-NE 2.98Å; E202-R213 PolarHBondContact OE2-NE 3.08Å; E202-R213 IonicContact OE2-NH2 3.31Å; E202-R213 PolarHBondContact OE2-NH2 3.48Å; E202-V217 HydrophobicContact CG-CG1 4.44Å; E202-V217 HydrophobicContact CG-CG2 3.78Å; E202-F232 HydrophobicContact CB-CZ 3.96Å |
| 203 | F | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 87.4 Ų | 87.4 | 2% | 0.022 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 177.6 | -175.4 | -99.8 | 0 | 0 | 0 | 113.1 | L199 E200 K201 F205 N206 M207 W231 F232 R235 R236 M239 | L199-F203 WeakPolarHBondContact O-CB 3.38Å; L199-F203 PolarHBondContact O-N 3.46Å; E200-F203 WeakPolarHBondContact O-CB 3.42Å; E200-F203 PolarHBondContact O-N 3.28Å; E200-F203 VanDerWaalsContact O-N 3.16Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 2.87Å; F203-F205 VanDerWaalsContact C-N 3.35Å; F203-N206 CarbonylContact O-C 3.3Å; F203-N206 VanDerWaalsContact O-C 3.3Å; F203-M207 HydrophobicContact CD2-CB 4.35Å; F203-M207 HydrophobicContact CE1-CE 4.22Å; F203-M207 HydrophobicContact CE1-CG 4.1Å; F203-M207 HydrophobicContact CE2-CB 3.82Å; F203-M207 HydrophobicContact CE2-CE 4.41Å; F203-M207 HydrophobicContact CE2-CG 4.07Å; F203-M207 HydrophobicContact CZ-CB 4.05Å; F203-M207 HydrophobicContact CZ-CE 3.64Å; F203-M207 HydrophobicContact CZ-CG 3.85Å; F203-M207 WeakPolarHBondContact O-CG 3.47Å; F203-M207 PolarHBondContact O-N 3.22Å; F203-W231 HydrophobicContact CB-CH2 4.21Å; F203-W231 HydrophobicContact CB-CZ3 4.01Å; F203-W231 HydrophobicContact CD2-CZ3 4.48Å; F203-W231 HydrophobicContact CG-CZ3 4.45Å; F203-F232 HydrophobicContact CB-CE1 4.23Å; F203-F232 HydrophobicContact CB-CZ 4.36Å; F203-F232 AromaticContact CD2-CD1 3.9Å; F203-F232 HydrophobicContact CD2-CD1 3.9Å; F203-F232 AromaticContact CD2-CE1 3.9Å; F203-F232 HydrophobicContact CD2-CE1 3.9Å; F203-R235 HydrophobicContact CB-CG 4.44Å; F203-R235 HydrophobicContact CD1-CG 3.74Å; F203-R235 HydrophobicContact CD2-CB 4.24Å; F203-R235 HydrophobicContact CD2-CG 3.63Å; F203-R235 HydrophobicContact CE1-CG 3.8Å; F203-R235 HydrophobicContact CE2-CB 4.22Å; F203-R235 HydrophobicContact CE2-CG 3.71Å; F203-R235 HydrophobicContact CG-CG 3.64Å; F203-R235 HydrophobicContact CZ-CG 3.77Å; F203-R236 HydrophobicContact CE2-CG 3.63Å; F203-R236 HydrophobicContact CZ-CG 3.98Å; F203-M239 HydrophobicContact CZ-SD 4.48Å |
| 204 | L | 98.2 | Very high | 98.4 | Very high | 142 Ų | 142 | 81.4 Ų | 81.4 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.2 | -35.5 | 175.4 | -67.4 | 174.3 | 0 | 0 | 0 | 111.5 | E200 K201 E202 | E200-L204 WeakPolarHBondContact O-CG 3.38Å; E200-L204 PolarHBondContact O-N 3.46Å; K201-L204 PolarHBondContact O-N 3.28Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 3.48Å |
| 205 | F | 98.2 | Very high | 98.4 | Very high | 164 Ų | 164 | 77.4 Ų | 77.4 | 72% | 0.719 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.8 | -50 | 173.9 | 178.6 | -103.2 | 0 | 0 | 0 | 111.7 | K201 E202 F203 | K201-F205 PolarHBondContact O-N 3.49Å; E202-F205 PolarHBondContact O-N 2.97Å; F203-F205 VanDerWaalsContact C-N 3.35Å |
| 206 | N | 97.4 | Very high | 98.4 | Very high | 69 Ų | 69 | 80 Ų | 80 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | trans | -150.4 | 119 | 174.9 | -174 | -4.7 | 0 | 0 | 0 | 110.9 | E202 F203 Y208 F232 | E202-N206 PolarHBondContact O-N 3.39Å; F203-N206 CarbonylContact O-C 3.3Å; F203-N206 VanDerWaalsContact O-C 3.3Å; N206-Y208 PolarHBondContact ND2-O 3.37Å; N206-Y208 PolarHBondContact O-N 3.19Å; N206-Y208 VanDerWaalsContact O-N 3.07Å; N206-Y208 PolarHBondContact OD1-N 2.78Å; N206-Y208 PolarHBondContact OD1-O 3.44Å; N206-Y208 VanDerWaalsContact OD1-O 3.05Å; N206-F232 WeakPolarHBondContact O-CE1 3.26Å | ||
| 207 | M | 97.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 77.9 Ų | 77.9 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -67.6 | -11.7 | -178 | -61.1 | 173.4 | 65.7 | 0 | 0 | 114 | F203 M239 | F203-M207 HydrophobicContact CD2-CB 4.35Å; F203-M207 HydrophobicContact CE1-CE 4.22Å; F203-M207 HydrophobicContact CE1-CG 4.1Å; F203-M207 HydrophobicContact CE2-CB 3.82Å; F203-M207 HydrophobicContact CE2-CE 4.41Å; F203-M207 HydrophobicContact CE2-CG 4.07Å; F203-M207 HydrophobicContact CZ-CB 4.05Å; F203-M207 HydrophobicContact CZ-CE 3.64Å; F203-M207 HydrophobicContact CZ-CG 3.85Å; F203-M207 WeakPolarHBondContact O-CG 3.47Å; F203-M207 PolarHBondContact O-N 3.22Å; M207-M239 HydrophobicContact CE-CE 3.24Å; M207-M239 HydrophobicContact CE-SD 3.29Å; M207-M239 WeakPolarHBondContact CE-SD 3.46Å; M207-M239 HydrophobicContact SD-SD 4.48Å |
| 208 | Y | 98.4 | Very high | 98.4 | Very high | 141 Ų | 141 | 73.1 Ų | 73.1 | 55% | 0.553 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -132.4 | 118 | -179.3 | -65.2 | -104 | 0 | 0 | 0 | 110.4 | N206 R236 | N206-Y208 PolarHBondContact ND2-O 3.37Å; N206-Y208 PolarHBondContact O-N 3.19Å; N206-Y208 VanDerWaalsContact O-N 3.07Å; N206-Y208 PolarHBondContact OD1-N 2.78Å; N206-Y208 PolarHBondContact OD1-O 3.44Å; N206-Y208 VanDerWaalsContact OD1-O 3.05Å; Y208-R236 VanDerWaalsContact CD1-NH1 3.33Å |
| 209 | L | 98.3 | Very high | 98.4 | Very high | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | trans | -82.7 | 137 | 178.2 | -60.4 | -178.5 | 0 | 0 | 0 | 112.6 | R213 R214 V228 F232 | L209-R213 HydrophobicContact CD2-CB 4.47Å; L209-R213 HydrophobicContact CD2-CG 3.86Å; L209-R214 HydrophobicContact CB-CB 4.29Å; L209-R214 HydrophobicContact CD1-CB 4.2Å; L209-R214 HydrophobicContact CD1-CG 4.4Å; L209-V228 HydrophobicContact CD1-CG1 3.55Å; L209-F232 HydrophobicContact CD1-CD1 4.29Å; L209-F232 HydrophobicContact CD1-CD2 3.76Å; L209-F232 HydrophobicContact CD1-CE1 4.03Å; L209-F232 HydrophobicContact CD1-CE2 3.49Å; L209-F232 VanDerWaalsContact CD1-CE2 3.49Å; L209-F232 HydrophobicContact CD1-CG 4.17Å; L209-F232 HydrophobicContact CD1-CZ 3.64Å; L209-F232 HydrophobicContact CD2-CE1 3.73Å; L209-F232 HydrophobicContact CD2-CE2 4.39Å; L209-F232 HydrophobicContact CD2-CZ 3.67Å; L209-F232 HydrophobicContact CG-CD1 3.86Å; L209-F232 HydrophobicContact CG-CD2 4.25Å; L209-F232 HydrophobicContact CG-CE1 3.54Å; L209-F232 HydrophobicContact CG-CE2 3.98Å; L209-F232 HydrophobicContact CG-CG 4.21Å; L209-F232 HydrophobicContact CG-CZ 3.61Å | ||
| 210 | T | 98.5 | Very high | 98.4 | Very high | 83 Ų | 83 | 82.6 Ų | 82.6 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | trans | -68.6 | 171.1 | 160 | 61.7 | 0 | 0 | 0 | 0 | 110.5 | R213 R214 | T210-R213 WeakPolarHBondContact OG1-CB 3.48Å; T210-R213 PolarHBondContact OG1-N 3.49Å; T210-R214 WeakPolarHBondContact O-CB 3.28Å; T210-R214 PolarHBondContact O-N 2.91Å; T210-R214 VanDerWaalsContact O-N 3.15Å | ||
| 211 | R | 98.4 | Very high | 98.4 | Very high | 181 Ų | 181 | 79 Ų | 79 | 68% | 0.683 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61 | -52.8 | 177.5 | 179.8 | 176.7 | 178.2 | -174.7 | -0.6 | 111 | R213 R214 H215 | R211-R213 PolarHBondContact O-N 3.05Å; R211-R214 WeakPolarHBondContact O-CB 3.38Å; R211-R214 PolarHBondContact O-N 3.3Å; R211-H215 VanDerWaalsContact CG-NE2 3.34Å; R211-H215 WeakPolarHBondContact CG-NE2 3.43Å; R211-H215 PolarHBondContact NE-NE2 3.01Å; R211-H215 PolarHBondContact O-CD2 3.04Å; R211-H215 PolarHBondContact O-N 3.33Å; R211-H215 VanDerWaalsContact O-N 3.07Å |
| 212 | D | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 80.5 Ų | 80.5 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | -175 | -53.5 | -38.7 | 0 | 0 | 0 | 111.8 | R214 H215 E216 | D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 2.76Å; D212-H215 WeakPolarHBondContact O-CB 3.15Å; D212-H215 PolarHBondContact O-N 2.96Å; D212-E216 PolarHBondContact O-N 2.9Å |
| 213 | R | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 80.5 Ų | 80.5 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 176.7 | -171.1 | 57.5 | 175.3 | -175.7 | -3.8 | 112.2 | E202 L209 T210 R211 H215 E216 V217 | E202-R213 IonicContact OE1-CZ 3.77Å; E202-R213 IonicContact OE1-NE 2.67Å; E202-R213 IonicContact OE1-NH2 3.64Å; E202-R213 PolarHBondContact OE1-NH2 2.98Å; E202-R213 IonicContact OE2-CZ 2.78Å; E202-R213 VanDerWaalsContact OE2-CZ 3.31Å; E202-R213 IonicContact OE2-NE 2.98Å; E202-R213 PolarHBondContact OE2-NE 3.08Å; E202-R213 IonicContact OE2-NH2 3.31Å; E202-R213 PolarHBondContact OE2-NH2 3.48Å; L209-R213 HydrophobicContact CD2-CB 4.47Å; L209-R213 HydrophobicContact CD2-CG 3.86Å; T210-R213 WeakPolarHBondContact OG1-CB 3.48Å; T210-R213 PolarHBondContact OG1-N 3.49Å; R211-R213 PolarHBondContact O-N 3.05Å; R213-H215 VanDerWaalsContact C-N 3.34Å; R213-E216 WeakPolarHBondContact CD-OE2 3.47Å; R213-E216 IonicContact CZ-OE2 2.84Å; R213-E216 IonicContact NH1-OE2 3.62Å; R213-E216 PolarHBondContact NH1-OE2 3Å; R213-E216 PolarHBondContact O-N 3.22Å; R213-V217 HydrophobicContact CG-CG2 4.4Å; R213-V217 WeakPolarHBondContact O-CG2 3.4Å; R213-V217 PolarHBondContact O-N 3.42Å |
| 214 | R | 98.7 | Very high | 98.3 | Very high | 60 Ų | 60 | 84 Ų | 84 | 23% | 0.226 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.3 | -173 | -168 | -55.6 | 157.4 | 9.5 | 111.7 | L209 T210 R211 D212 E216 A218 E225 V228 | L209-R214 HydrophobicContact CB-CB 4.29Å; L209-R214 HydrophobicContact CD1-CB 4.2Å; L209-R214 HydrophobicContact CD1-CG 4.4Å; T210-R214 WeakPolarHBondContact O-CB 3.28Å; T210-R214 PolarHBondContact O-N 2.91Å; T210-R214 VanDerWaalsContact O-N 3.15Å; R211-R214 WeakPolarHBondContact O-CB 3.38Å; R211-R214 PolarHBondContact O-N 3.3Å; D212-R214 VanDerWaalsContact C-N 3.28Å; D212-R214 PolarHBondContact O-N 2.76Å; R214-E216 VanDerWaalsContact C-N 3.34Å; R214-A218 WeakPolarHBondContact O-CB 3.37Å; R214-A218 PolarHBondContact O-N 2.82Å; R214-E225 WeakPolarHBondContact CD-O 3.45Å; R214-E225 HydrophobicContact CG-CB 4.18Å; R214-E225 HydrophobicContact CG-CG 4.3Å; R214-V228 HydrophobicContact CG-CB 4.24Å; R214-V228 HydrophobicContact CG-CG1 4.11Å |
| 215 | H | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 80.8 Ų | 80.8 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175.7 | -70.4 | -72.5 | 0 | 0 | 0 | 111.5 | R211 D212 R213 R219 E225 | R211-H215 VanDerWaalsContact CG-NE2 3.34Å; R211-H215 WeakPolarHBondContact CG-NE2 3.43Å; R211-H215 PolarHBondContact NE-NE2 3.01Å; R211-H215 PolarHBondContact O-CD2 3.04Å; R211-H215 PolarHBondContact O-N 3.33Å; R211-H215 VanDerWaalsContact O-N 3.07Å; D212-H215 WeakPolarHBondContact O-CB 3.15Å; D212-H215 PolarHBondContact O-N 2.96Å; R213-H215 VanDerWaalsContact C-N 3.34Å; H215-R219 WeakPolarHBondContact O-CG 3.11Å; H215-R219 PolarHBondContact O-N 3.17Å; H215-R219 VanDerWaalsContact O-N 3.14Å; H215-E225 IonicContact CE1-OE1 3.05Å; H215-E225 PolarHBondContact CE1-OE1 3.41Å; H215-E225 IonicContact CE1-OE2 3.42Å; H215-E225 PolarHBondContact CE1-OE2 3.37Å; H215-E225 IonicContact ND1-OE1 3.36Å; H215-E225 PolarHBondContact ND1-OE1 3.26Å; H215-E225 IonicContact ND1-OE2 2.85Å; H215-E225 PolarHBondContact ND1-OE2 3.3Å; H215-E225 IonicContact NE2-OE2 2.89Å |
| 216 | E | 98.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 81.6 Ų | 81.6 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 177.5 | -70.2 | 169.3 | -165.1 | 0 | 0 | 112.6 | D212 R213 R214 A218 R219 S220 | D212-E216 PolarHBondContact O-N 2.9Å; R213-E216 WeakPolarHBondContact CD-OE2 3.47Å; R213-E216 IonicContact CZ-OE2 2.84Å; R213-E216 IonicContact NH1-OE2 3.62Å; R213-E216 PolarHBondContact NH1-OE2 3Å; R213-E216 PolarHBondContact O-N 3.22Å; R214-E216 VanDerWaalsContact C-N 3.34Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.2Å; E216-R219 PolarHBondContact O-N 3.5Å; E216-S220 PolarHBondContact O-N 3.02Å; E216-S220 PolarHBondContact O-OG 3.42Å |
| 217 | V | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -37 | -179.5 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L199 E202 R213 S220 L221 V228 | L199-V217 HydrophobicContact CD2-CG1 4.09Å; E202-V217 HydrophobicContact CG-CG1 4.44Å; E202-V217 HydrophobicContact CG-CG2 3.78Å; R213-V217 HydrophobicContact CG-CG2 4.4Å; R213-V217 WeakPolarHBondContact O-CG2 3.4Å; R213-V217 PolarHBondContact O-N 3.42Å; V217-S220 PolarHBondContact O-OG 3.26Å; V217-L221 HydrophobicContact CG1-CD1 3.86Å; V217-L221 HydrophobicContact CG1-CG 4.43Å; V217-L221 WeakPolarHBondContact O-CB 3.31Å; V217-L221 WeakPolarHBondContact O-CG 3.38Å; V217-L221 PolarHBondContact O-N 3.21Å; V217-V228 HydrophobicContact CG1-CG1 4.14Å; V217-V228 HydrophobicContact CG1-CG2 4.44Å |
| 218 | A | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 78.2 Ų | 78.2 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R214 E216 N222 L223 E225 V228 | R214-A218 WeakPolarHBondContact O-CB 3.37Å; R214-A218 PolarHBondContact O-N 2.82Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.2Å; A218-N222 PolarHBondContact O-N 3.45Å; A218-N222 VanDerWaalsContact O-N 3.17Å; A218-L223 CarbonylContact C-O 3.44Å; A218-L223 WeakPolarHBondContact CA-O 3.49Å; A218-L223 VanDerWaalsContact CB-O 3.28Å; A218-L223 WeakPolarHBondContact CB-O 3.14Å; A218-L223 PolarHBondContact O-N 3.31Å; A218-L223 VanDerWaalsContact O-O 3.05Å; A218-E225 HydrophobicContact CB-CG 4.07Å; A218-V228 HydrophobicContact CB-CG2 4.09Å |
| 219 | R | 98.4 | Very high | 98.4 | Very high | 174 Ų | 174 | 76.4 Ų | 76.4 | 66% | 0.657 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | 178 | -75.3 | -171.6 | -67.2 | 106.1 | -3 | 112.7 | H215 E216 L221 N222 | H215-R219 WeakPolarHBondContact O-CG 3.11Å; H215-R219 PolarHBondContact O-N 3.17Å; H215-R219 VanDerWaalsContact O-N 3.14Å; E216-R219 PolarHBondContact O-N 3.5Å; R219-L221 VanDerWaalsContact C-N 3.25Å; R219-L221 PolarHBondContact O-N 3.23Å; R219-N222 PolarHBondContact O-N 2.87Å; R219-N222 PolarHBondContact O-OD1 3.26Å |
| 220 | S | 98.1 | Very high | 98.4 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.6 | -25.5 | -177.4 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | E216 V217 | E216-S220 PolarHBondContact O-N 3.02Å; E216-S220 PolarHBondContact O-OG 3.42Å; V217-S220 PolarHBondContact O-OG 3.26Å |
| 221 | L | 98.2 | Very high | 98.4 | Very high | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 1.8 | -177.5 | -59.3 | -174.9 | 0 | 0 | 0 | 114.1 | Y194 Q195 E198 L199 V217 R219 L223 | Y194-L221 HydrophobicContact CD1-CD2 4.26Å; Y194-L221 HydrophobicContact CE1-CD2 3.69Å; Q195-L221 HydrophobicContact CG-CB 4.32Å; Q195-L221 PolarHBondContact NE2-O 2.89Å; E198-L221 HydrophobicContact CB-CD1 4.08Å; E198-L221 HydrophobicContact CB-CD2 3.59Å; E198-L221 HydrophobicContact CB-CG 4.4Å; E198-L221 HydrophobicContact CG-CD2 3.94Å; L199-L221 HydrophobicContact CD1-CD1 4.46Å; L199-L221 HydrophobicContact CD2-CD1 3.9Å; L199-L221 HydrophobicContact CG-CD1 3.68Å; V217-L221 HydrophobicContact CG1-CD1 3.86Å; V217-L221 HydrophobicContact CG1-CG 4.43Å; V217-L221 WeakPolarHBondContact O-CB 3.31Å; V217-L221 WeakPolarHBondContact O-CG 3.38Å; V217-L221 PolarHBondContact O-N 3.21Å; R219-L221 VanDerWaalsContact C-N 3.25Å; R219-L221 PolarHBondContact O-N 3.23Å; L221-L223 VanDerWaalsContact C-N 3.25Å; L221-L223 HydrophobicContact CB-CD1 4.15Å; L221-L223 HydrophobicContact CB-CG 4.13Å; L221-L223 PolarHBondContact O-N 3.34Å |
| 222 | N | 98.3 | Very high | 98.4 | Very high | 146 Ų | 146 | 66.8 Ų | 66.8 | 78% | 0.781 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 45.2 | -172.8 | -62.6 | -16.2 | 0 | 0 | 0 | 112.2 | A218 R219 | A218-N222 PolarHBondContact O-N 3.45Å; A218-N222 VanDerWaalsContact O-N 3.17Å; R219-N222 PolarHBondContact O-N 2.87Å; R219-N222 PolarHBondContact O-OD1 3.26Å |
| 223 | L | 97.9 | Very high | 98.4 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | trans | -117.6 | 156.2 | 176.1 | -66 | 178.5 | 0 | 0 | 0 | 110.1 | Y191 L199 A218 L221 Q227 V228 | Y191-L223 HydrophobicContact CD1-CD2 4.03Å; Y191-L223 HydrophobicContact CE1-CD1 4.4Å; Y191-L223 HydrophobicContact CE1-CD2 3.87Å; L199-L223 HydrophobicContact CD1-CD1 4.19Å; A218-L223 CarbonylContact C-O 3.44Å; A218-L223 WeakPolarHBondContact CA-O 3.49Å; A218-L223 VanDerWaalsContact CB-O 3.28Å; A218-L223 WeakPolarHBondContact CB-O 3.14Å; A218-L223 PolarHBondContact O-N 3.31Å; A218-L223 VanDerWaalsContact O-O 3.05Å; L221-L223 VanDerWaalsContact C-N 3.25Å; L221-L223 HydrophobicContact CB-CD1 4.15Å; L221-L223 HydrophobicContact CB-CG 4.13Å; L221-L223 PolarHBondContact O-N 3.34Å; L223-Q227 HydrophobicContact CB-CB 4.38Å; L223-V228 HydrophobicContact CB-CG2 4.15Å | ||
| 224 | T | 98.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 66.7 Ų | 66.7 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | trans | -73 | 148.4 | 169.4 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | R226 Q227 V228 | T224-R226 PolarHBondContact O-N 2.94Å; T224-R226 VanDerWaalsContact O-N 3.08Å; T224-Q227 WeakPolarHBondContact O-CB 3.3Å; T224-Q227 PolarHBondContact O-N 3.5Å; T224-Q227 WeakPolarHBondContact OG1-CB 3.35Å; T224-Q227 VanDerWaalsContact OG1-CG 3.28Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.36Å; T224-Q227 PolarHBondContact OG1-N 2.87Å; T224-Q227 PolarHBondContact OG1-OE1 3.01Å; T224-V228 PolarHBondContact O-N 2.95Å; T224-V228 VanDerWaalsContact O-N 3.09Å | ||
| 225 | E | 98.5 | Very high | 98.4 | Very high | 74 Ų | 74 | 66.2 Ų | 66.2 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52.7 | -34.7 | 172.4 | -72.3 | 175.3 | -115 | 0 | 0 | 112.7 | R214 H215 A218 V228 K229 | R214-E225 WeakPolarHBondContact CD-O 3.45Å; R214-E225 HydrophobicContact CG-CB 4.18Å; R214-E225 HydrophobicContact CG-CG 4.3Å; H215-E225 IonicContact CE1-OE1 3.05Å; H215-E225 PolarHBondContact CE1-OE1 3.41Å; H215-E225 IonicContact CE1-OE2 3.42Å; H215-E225 PolarHBondContact CE1-OE2 3.37Å; H215-E225 IonicContact ND1-OE1 3.36Å; H215-E225 PolarHBondContact ND1-OE1 3.26Å; H215-E225 IonicContact ND1-OE2 2.85Å; H215-E225 PolarHBondContact ND1-OE2 3.3Å; H215-E225 IonicContact NE2-OE2 2.89Å; A218-E225 HydrophobicContact CB-CG 4.07Å; E225-V228 PolarHBondContact O-N 3.19Å; E225-K229 VanDerWaalsContact O-CB 3.31Å; E225-K229 WeakPolarHBondContact O-CB 3.49Å; E225-K229 PolarHBondContact O-N 3.26Å |
| 226 | R | 98.1 | Very high | 98.4 | Very high | 181 Ų | 181 | 66.9 Ų | 66.9 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 176.5 | -174.2 | 176.8 | -176.8 | -82.5 | -0.8 | 111.4 | T224 K229 I230 | T224-R226 PolarHBondContact O-N 2.94Å; T224-R226 VanDerWaalsContact O-N 3.08Å; R226-K229 PolarHBondContact O-N 3.37Å; R226-I230 HydrophobicContact CG-CD1 3.93Å; R226-I230 VanDerWaalsContact NH1-CD1 3.29Å; R226-I230 WeakPolarHBondContact O-CB 3.29Å; R226-I230 VanDerWaalsContact O-CG1 3.26Å; R226-I230 WeakPolarHBondContact O-CG1 3.34Å; R226-I230 PolarHBondContact O-N 3.36Å |
| 227 | Q | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 68.5 Ų | 68.5 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.8 | -80 | 164.6 | -55 | 0 | 0 | 111.4 | Y191 L223 T224 I230 W231 | Y191-Q227 WeakPolarHBondContact OH-CB 3.04Å; L223-Q227 HydrophobicContact CB-CB 4.38Å; T224-Q227 WeakPolarHBondContact O-CB 3.3Å; T224-Q227 PolarHBondContact O-N 3.5Å; T224-Q227 WeakPolarHBondContact OG1-CB 3.35Å; T224-Q227 VanDerWaalsContact OG1-CG 3.28Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.36Å; T224-Q227 PolarHBondContact OG1-N 2.87Å; T224-Q227 PolarHBondContact OG1-OE1 3.01Å; Q227-I230 PolarHBondContact O-N 3.24Å; Q227-W231 WeakPolarHBondContact O-CB 3.39Å; Q227-W231 PolarHBondContact O-N 3.1Å |
| 228 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | L199 L209 R214 V217 A218 L223 T224 E225 I230 W231 F232 | L199-V228 HydrophobicContact CD2-CG1 4.21Å; L209-V228 HydrophobicContact CD1-CG1 3.55Å; R214-V228 HydrophobicContact CG-CB 4.24Å; R214-V228 HydrophobicContact CG-CG1 4.11Å; V217-V228 HydrophobicContact CG1-CG1 4.14Å; V217-V228 HydrophobicContact CG1-CG2 4.44Å; A218-V228 HydrophobicContact CB-CG2 4.09Å; L223-V228 HydrophobicContact CB-CG2 4.15Å; T224-V228 PolarHBondContact O-N 2.95Å; T224-V228 VanDerWaalsContact O-N 3.09Å; E225-V228 PolarHBondContact O-N 3.19Å; V228-I230 PolarHBondContact O-N 2.96Å; V228-W231 PolarHBondContact O-N 2.93Å; V228-F232 HydrophobicContact CG1-CD2 3.99Å; V228-F232 HydrophobicContact CG1-CE2 4.07Å; V228-F232 WeakPolarHBondContact O-CD2 3.25Å; V228-F232 PolarHBondContact O-N 3.23Å |
| 229 | K | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 76.6 Ų | 76.6 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 176.7 | 179.8 | -178 | 173.8 | -178.6 | 0 | 112.3 | E225 R226 F232 Q233 | E225-K229 VanDerWaalsContact O-CB 3.31Å; E225-K229 WeakPolarHBondContact O-CB 3.49Å; E225-K229 PolarHBondContact O-N 3.26Å; R226-K229 PolarHBondContact O-N 3.37Å; K229-F232 PolarHBondContact O-N 3.34Å; K229-Q233 PolarHBondContact O-N 2.85Å; K229-Q233 VanDerWaalsContact O-N 3.08Å |
| 230 | I | 98.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 179 | -71.8 | 168.7 | 0 | 0 | 0 | 110.6 | R226 Q227 V228 F232 Q233 N234 | R226-I230 HydrophobicContact CG-CD1 3.93Å; R226-I230 VanDerWaalsContact NH1-CD1 3.29Å; R226-I230 WeakPolarHBondContact O-CB 3.29Å; R226-I230 VanDerWaalsContact O-CG1 3.26Å; R226-I230 WeakPolarHBondContact O-CG1 3.34Å; R226-I230 PolarHBondContact O-N 3.36Å; Q227-I230 PolarHBondContact O-N 3.24Å; V228-I230 PolarHBondContact O-N 2.96Å; I230-F232 VanDerWaalsContact C-N 3.35Å; I230-F232 PolarHBondContact O-N 3.04Å; I230-Q233 PolarHBondContact O-N 3.09Å; I230-N234 VanDerWaalsContact O-CG 3.29Å; I230-N234 PolarHBondContact O-N 3.18Å; I230-N234 PolarHBondContact O-ND2 3.24Å |
| 231 | W | 98.6 | Very high | 98 | Very high | 31 Ų | 31 | 77.8 Ų | 77.8 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 178.1 | -173 | 96.1 | 0 | 0 | 0 | 111.1 | Y191 L199 E200 F203 Q227 V228 Q233 N234 R235 | Y191-W231 AromaticContact CD2-CD1 3.8Å; Y191-W231 HydrophobicContact CE2-CB 4.27Å; Y191-W231 AromaticContact CE2-CD1 3.58Å; Y191-W231 HydrophobicContact CE2-CG 4.23Å; L199-W231 HydrophobicContact CB-CD2 3.85Å; L199-W231 HydrophobicContact CB-CE3 3.85Å; L199-W231 HydrophobicContact CB-CH2 3.65Å; L199-W231 HydrophobicContact CB-CZ2 3.62Å; L199-W231 HydrophobicContact CB-CZ3 3.76Å; L199-W231 HydrophobicContact CD1-CB 4.43Å; L199-W231 HydrophobicContact CD1-CD2 3.83Å; L199-W231 HydrophobicContact CD1-CE3 4.47Å; L199-W231 HydrophobicContact CD1-CG 3.79Å; L199-W231 HydrophobicContact CD2-CD2 4.33Å; L199-W231 HydrophobicContact CD2-CE3 4.19Å; L199-W231 HydrophobicContact CG-CD2 4.22Å; L199-W231 HydrophobicContact CG-CE3 4.39Å; L199-W231 VanDerWaalsContact O-CH2 3.31Å; L199-W231 WeakPolarHBondContact O-CH2 3.34Å; L199-W231 VanDerWaalsContact O-CZ3 3.3Å; L199-W231 WeakPolarHBondContact O-CZ3 3.44Å; E200-W231 HydrophobicContact CG-CH2 3.93Å; E200-W231 HydrophobicContact CG-CZ2 3.87Å; F203-W231 HydrophobicContact CB-CH2 4.21Å; F203-W231 HydrophobicContact CB-CZ3 4.01Å; F203-W231 HydrophobicContact CD2-CZ3 4.48Å; F203-W231 HydrophobicContact CG-CZ3 4.45Å; Q227-W231 WeakPolarHBondContact O-CB 3.39Å; Q227-W231 PolarHBondContact O-N 3.1Å; V228-W231 PolarHBondContact O-N 2.93Å; W231-Q233 VanDerWaalsContact C-N 3.34Å; W231-Q233 PolarHBondContact O-N 2.96Å; W231-N234 PolarHBondContact O-N 3.05Å; W231-R235 HydrophobicContact CD2-CB 4.45Å; W231-R235 HydrophobicContact CE3-CB 4Å; W231-R235 HydrophobicContact CH2-CB 3.99Å; W231-R235 HydrophobicContact CH2-CG 3.69Å; W231-R235 HydrophobicContact CZ2-CB 4.46Å; W231-R235 HydrophobicContact CZ2-CG 4.37Å; W231-R235 HydrophobicContact CZ3-CB 3.74Å; W231-R235 HydrophobicContact CZ3-CG 3.78Å; W231-R235 VanDerWaalsContact O-CB 3.3Å; W231-R235 WeakPolarHBondContact O-CB 3.29Å; W231-R235 PolarHBondContact O-N 3.4Å |
| 232 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 82.3 Ų | 82.3 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -34.7 | 176.1 | -90.6 | -104.5 | 0 | 0 | 0 | 113.1 | L199 E202 F203 N206 L209 V228 K229 I230 R236 | L199-F232 HydrophobicContact CD2-CE2 4.06Å; E202-F232 HydrophobicContact CB-CZ 3.96Å; F203-F232 HydrophobicContact CB-CE1 4.23Å; F203-F232 HydrophobicContact CB-CZ 4.36Å; F203-F232 AromaticContact CD2-CD1 3.9Å; F203-F232 HydrophobicContact CD2-CD1 3.9Å; F203-F232 AromaticContact CD2-CE1 3.9Å; F203-F232 HydrophobicContact CD2-CE1 3.9Å; N206-F232 WeakPolarHBondContact O-CE1 3.26Å; L209-F232 HydrophobicContact CD1-CD1 4.29Å; L209-F232 HydrophobicContact CD1-CD2 3.76Å; L209-F232 HydrophobicContact CD1-CE1 4.03Å; L209-F232 HydrophobicContact CD1-CE2 3.49Å; L209-F232 VanDerWaalsContact CD1-CE2 3.49Å; L209-F232 HydrophobicContact CD1-CG 4.17Å; L209-F232 HydrophobicContact CD1-CZ 3.64Å; L209-F232 HydrophobicContact CD2-CE1 3.73Å; L209-F232 HydrophobicContact CD2-CE2 4.39Å; L209-F232 HydrophobicContact CD2-CZ 3.67Å; L209-F232 HydrophobicContact CG-CD1 3.86Å; L209-F232 HydrophobicContact CG-CD2 4.25Å; L209-F232 HydrophobicContact CG-CE1 3.54Å; L209-F232 HydrophobicContact CG-CE2 3.98Å; L209-F232 HydrophobicContact CG-CG 4.21Å; L209-F232 HydrophobicContact CG-CZ 3.61Å; V228-F232 HydrophobicContact CG1-CD2 3.99Å; V228-F232 HydrophobicContact CG1-CE2 4.07Å; V228-F232 WeakPolarHBondContact O-CD2 3.25Å; V228-F232 PolarHBondContact O-N 3.23Å; K229-F232 PolarHBondContact O-N 3.34Å; I230-F232 VanDerWaalsContact C-N 3.35Å; I230-F232 PolarHBondContact O-N 3.04Å; F232-R236 WeakPolarHBondContact O-CG 3.46Å; F232-R236 PolarHBondContact O-N 3.45Å; F232-R236 PolarHBondContact O-NE 3.32Å |
| 233 | Q | 98.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 80.6 Ų | 80.6 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64 | -50.8 | 170.6 | -90.4 | -179.6 | -11.2 | 0 | 0 | 111.3 | K229 I230 W231 R235 R236 M237 | K229-Q233 PolarHBondContact O-N 2.85Å; K229-Q233 VanDerWaalsContact O-N 3.08Å; I230-Q233 PolarHBondContact O-N 3.09Å; W231-Q233 VanDerWaalsContact C-N 3.34Å; W231-Q233 PolarHBondContact O-N 2.96Å; Q233-R235 VanDerWaalsContact C-N 3.3Å; Q233-R235 PolarHBondContact O-N 3.07Å; Q233-R236 PolarHBondContact O-N 2.79Å; Q233-M237 WeakPolarHBondContact O-CG 3.4Å; Q233-M237 PolarHBondContact O-N 3Å |
| 234 | N | 98.4 | Very high | 96.8 | Very high | 97 Ų | 97 | 88.3 Ų | 88.3 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 179.6 | -69 | -19.9 | 0 | 0 | 0 | 111.7 | I230 W231 R236 M237 K238 | I230-N234 VanDerWaalsContact O-CG 3.29Å; I230-N234 PolarHBondContact O-N 3.18Å; I230-N234 PolarHBondContact O-ND2 3.24Å; W231-N234 PolarHBondContact O-N 3.05Å; N234-R236 PolarHBondContact O-N 3.07Å; N234-M237 PolarHBondContact O-N 3.26Å; N234-K238 PolarHBondContact O-N 2.8Å |
| 235 | R | 98.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 89.9 Ų | 89.9 | 19% | 0.192 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 179.8 | -177.5 | 62.9 | -170.9 | 83.2 | -1.8 | 112.2 | F203 W231 Q233 K238 M239 | F203-R235 HydrophobicContact CB-CG 4.44Å; F203-R235 HydrophobicContact CD1-CG 3.74Å; F203-R235 HydrophobicContact CD2-CB 4.24Å; F203-R235 HydrophobicContact CD2-CG 3.63Å; F203-R235 HydrophobicContact CE1-CG 3.8Å; F203-R235 HydrophobicContact CE2-CB 4.22Å; F203-R235 HydrophobicContact CE2-CG 3.71Å; F203-R235 HydrophobicContact CG-CG 3.64Å; F203-R235 HydrophobicContact CZ-CG 3.77Å; W231-R235 HydrophobicContact CD2-CB 4.45Å; W231-R235 HydrophobicContact CE3-CB 4Å; W231-R235 HydrophobicContact CH2-CB 3.99Å; W231-R235 HydrophobicContact CH2-CG 3.69Å; W231-R235 HydrophobicContact CZ2-CB 4.46Å; W231-R235 HydrophobicContact CZ2-CG 4.37Å; W231-R235 HydrophobicContact CZ3-CB 3.74Å; W231-R235 HydrophobicContact CZ3-CG 3.78Å; W231-R235 VanDerWaalsContact O-CB 3.3Å; W231-R235 WeakPolarHBondContact O-CB 3.29Å; W231-R235 PolarHBondContact O-N 3.4Å; Q233-R235 VanDerWaalsContact C-N 3.3Å; Q233-R235 PolarHBondContact O-N 3.07Å; R235-K238 PolarHBondContact O-N 3.32Å; R235-M239 PolarHBondContact O-N 3.3Å |
| 236 | R | 98.4 | Very high | 94.8 | Very high | 66 Ų | 66 | 92.8 Ų | 92.8 | 25% | 0.249 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 173.3 | -72.8 | -179 | -71.9 | 160.6 | -7.5 | 112 | F203 Y208 F232 Q233 N234 K238 M239 K240 | F203-R236 HydrophobicContact CE2-CG 3.63Å; F203-R236 HydrophobicContact CZ-CG 3.98Å; Y208-R236 VanDerWaalsContact CD1-NH1 3.33Å; F232-R236 WeakPolarHBondContact O-CG 3.46Å; F232-R236 PolarHBondContact O-N 3.45Å; F232-R236 PolarHBondContact O-NE 3.32Å; Q233-R236 PolarHBondContact O-N 2.79Å; N234-R236 PolarHBondContact O-N 3.07Å; R236-K238 VanDerWaalsContact C-N 3.35Å; R236-K238 PolarHBondContact O-N 3.09Å; R236-M239 PolarHBondContact O-N 3.04Å; R236-K240 WeakPolarHBondContact O-CB 3.47Å; R236-K240 PolarHBondContact O-N 3.41Å |
| 237 | M | 98.2 | Very high | 93.6 | Very high | 114 Ų | 114 | 88.8 Ų | 88.8 | 56% | 0.562 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 175.7 | -66.2 | -62 | -84.5 | 0 | 0 | 111.7 | Q233 N234 K240 K241 | Q233-M237 WeakPolarHBondContact O-CG 3.4Å; Q233-M237 PolarHBondContact O-N 3Å; N234-M237 PolarHBondContact O-N 3.26Å; M237-K240 PolarHBondContact O-N 3.44Å; M237-K241 PolarHBondContact O-N 3.43Å |
| 238 | K | 97.1 | Very high | 92.3 | Very high | 125 Ų | 125 | 95.7 Ų | 95.7 | 54% | 0.543 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 174.9 | -173.2 | -178.9 | 178.3 | -174.5 | 0 | 111.5 | N234 R235 R236 K241 M242 | N234-K238 PolarHBondContact O-N 2.8Å; R235-K238 PolarHBondContact O-N 3.32Å; R236-K238 VanDerWaalsContact C-N 3.35Å; R236-K238 PolarHBondContact O-N 3.09Å; K238-K241 PolarHBondContact O-N 3.07Å; K238-M242 HydrophobicContact CD-SD 4.46Å; K238-M242 HydrophobicContact CG-SD 3.92Å; K238-M242 VanDerWaalsContact O-CG 3.29Å; K238-M242 WeakPolarHBondContact O-CG 3.33Å; K238-M242 PolarHBondContact O-N 2.92Å |
| 239 | M | 96.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 106.4 Ų | 106.4 | 28% | 0.276 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -50.7 | 176.1 | -171.3 | -167 | 67 | 0 | 0 | 111.5 | F203 M207 R235 R236 K241 M242 N243 | F203-M239 HydrophobicContact CZ-SD 4.48Å; M207-M239 HydrophobicContact CE-CE 3.24Å; M207-M239 HydrophobicContact CE-SD 3.29Å; M207-M239 WeakPolarHBondContact CE-SD 3.46Å; M207-M239 HydrophobicContact SD-SD 4.48Å; R235-M239 PolarHBondContact O-N 3.3Å; R236-M239 PolarHBondContact O-N 3.04Å; M239-K241 PolarHBondContact O-N 2.89Å; M239-M242 PolarHBondContact O-N 3.49Å; M239-M242 VanDerWaalsContact O-N 3.1Å; M239-N243 PolarHBondContact O-N 3.29Å; M239-N243 PolarHBondContact O-OD1 2.84Å |
| 240 | K | 96.6 | Very high | 90.1 | Very high | 130 Ų | 130 | 106.6 Ų | 106.6 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.2 | -38.3 | 178.8 | -174.6 | 178.6 | 67.9 | 175.8 | 0 | 112.1 | R236 M237 K244 | R236-K240 WeakPolarHBondContact O-CB 3.47Å; R236-K240 PolarHBondContact O-N 3.41Å; M237-K240 PolarHBondContact O-N 3.44Å; K240-K244 PolarHBondContact O-N 3.29Å |
| 241 | K | 95.6 | Very high | 89.7 | Confident | 142 Ų | 142 | 109.5 Ų | 109.5 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -51.8 | 175.7 | -175.7 | 173.7 | 179.6 | 179.3 | 0 | 111.2 | M237 K238 M239 N243 K244 D245 | M237-K241 PolarHBondContact O-N 3.43Å; K238-K241 PolarHBondContact O-N 3.07Å; M239-K241 PolarHBondContact O-N 2.89Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.99Å; K241-K244 PolarHBondContact O-N 3.24Å; K241-D245 PolarHBondContact O-N 3.28Å |
| 242 | M | 92.9 | Very high | 89.2 | Confident | 98 Ų | 98 | 113.8 Ų | 113.8 | 48% | 0.483 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.1 | -38.5 | 179.5 | -68.5 | 167.4 | 63.1 | 0 | 0 | 112.7 | K238 M239 K244 Q246 | K238-M242 HydrophobicContact CD-SD 4.46Å; K238-M242 HydrophobicContact CG-SD 3.92Å; K238-M242 VanDerWaalsContact O-CG 3.29Å; K238-M242 WeakPolarHBondContact O-CG 3.33Å; K238-M242 PolarHBondContact O-N 2.92Å; M239-M242 PolarHBondContact O-N 3.49Å; M239-M242 VanDerWaalsContact O-N 3.1Å; M242-K244 VanDerWaalsContact C-N 3.31Å; M242-K244 PolarHBondContact O-N 3.24Å; M242-Q246 WeakPolarHBondContact O-CG 3.42Å |
| 243 | N | 89.9 | Confident | 88.6 | Confident | 110 Ų | 110 | 120.2 Ų | 120.2 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -72.5 | -21.7 | 179.4 | -68.7 | 40.6 | 0 | 0 | 0 | 113.6 | M239 K241 | M239-N243 PolarHBondContact O-N 3.29Å; M239-N243 PolarHBondContact O-OD1 2.84Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.99Å |
| 244 | K | 85.6 | Confident | 88 | Confident | 182 Ų | 182 | 121.7 Ų | 121.7 | 79% | 0.791 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -86.4 | -27.3 | 179.3 | -170.8 | 174 | 172.6 | -170.3 | 0 | 112.2 | K240 K241 M242 Q246 | K240-K244 PolarHBondContact O-N 3.29Å; K241-K244 PolarHBondContact O-N 3.24Å; M242-K244 VanDerWaalsContact C-N 3.31Å; M242-K244 PolarHBondContact O-N 3.24Å; K244-Q246 VanDerWaalsContact C-N 3.31Å |
| 245 | D | 79.3 | Confident | 87.3 | Confident | 110 Ų | 110 | 123.3 Ų | 123.3 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -86.7 | -0.9 | -179.7 | -60 | -26.6 | 0 | 0 | 0 | 112.4 | K241 | K241-D245 PolarHBondContact O-N 3.28Š|
| 246 | Q | 76.7 | Confident | 86.5 | Confident | 135 Ų | 135 | 128.5 Ų | 128.5 | 63% | 0.631 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -76.4 | 122.1 | 171.8 | -67.1 | -61.1 | -31.6 | 0 | 0 | 109.8 | M242 K244 K248 | M242-Q246 WeakPolarHBondContact O-CG 3.42Å; K244-Q246 VanDerWaalsContact C-N 3.31Å; Q246-K248 PolarHBondContact O-N 3.4Å |
| 247 | P | 73.1 | Confident | 85.6 | Confident | 97 Ų | 97 | 133.3 Ų | 133.3 | 63% | 0.63 | 65% | 0.645 | S | S | * | * | trans | -59.9 | 129.5 | 172 | 25 | -30.1 | 0 | 0 | 0 | 108.7 | D249 | P247-D249 PolarHBondContact O-N 3.37Š| ||
| 248 | K | 70.3 | Confident | 84.5 | Confident | 209 Ų | 209 | 134.9 Ų | 134.9 | 91% | 0.909 | 65% | 0.652 | S | S | * | * | trans | -74.6 | 105.1 | 164.3 | -80.6 | -179.7 | 172.9 | -176.4 | 0 | 106 | Q246 | Q246-K248 PolarHBondContact O-N 3.4Š| ||
| 249 | D | 60.9 | Low | 83.4 | Confident | 225 Ų | 225 | 135.8 Ų | 135.8 | 100% | 1.203 | 66% | 0.662 | S | S | * | * | trans | -62.9 | 0 | 165.4 | -65 | -42.5 | 0 | 0 | 0 | 111.1 | P247 | P247-D249 PolarHBondContact O-N 3.37Š|
Retrieved 249 of 249 residues in 942.4 ms
(Link to these results)