| 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 | 41.3 | Very low | 35.8 | Very low | 251 Ų | 251 | 185.7 Ų | 185.7 | 100% | 1.236 | 93% | 0.929 | S | S | * | * | 0 | 82.4 | 0 | -79.2 | -179.6 | 166 | 0 | 0 | 108.8 | |||||
| 2 | L | 36.5 | Very low | 35.6 | Very low | 172 Ų | 172 | 180.8 Ų | 180.8 | 90% | 0.901 | 92% | 0.921 | S | S | * | * | trans | -104 | 114.2 | 174.3 | -85.3 | 150.7 | 0 | 0 | 0 | 106.1 | ||||
| 3 | C | 33.8 | Very low | 35.5 | Very low | 130 Ų | 130 | 179.8 Ų | 179.8 | 88% | 0.878 | 92% | 0.918 | S | S | * | * | trans | 173.6 | 143.7 | 155.2 | -102.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 4 | R | 37.1 | Very low | 35.4 | Very low | 241 Ų | 241 | 175.9 Ų | 175.9 | 91% | 0.909 | 91% | 0.91 | S | S | * | * | trans | 86.8 | 88.5 | -179.2 | -55.9 | -178.8 | 176.7 | -138.8 | -0.8 | 115.4 | ||||
| 5 | L | 37.7 | Very low | 35.1 | Very low | 192 Ų | 192 | 170.3 Ų | 170.3 | 100% | 1.005 | 90% | 0.9 | S | S | * | * | trans | -167.8 | 60.5 | 135.4 | -97.5 | 153.5 | 0 | 0 | 0 | 108.4 | ||||
| 6 | G | 31.5 | Very low | 34.9 | Very low | 83 Ų | 83 | 170.6 Ų | 170.6 | 86% | 0.856 | 90% | 0.901 | S | S | * | * | trans | -115.3 | 123.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | G | 36.2 | Very low | 34.7 | Very low | 77 Ų | 77 | 170.9 Ų | 170.9 | 79% | 0.794 | 90% | 0.896 | S | S | * | * | trans | 121.4 | 71.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 8 | R | 34.6 | Very low | 34.4 | Very low | 242 Ų | 242 | 170.9 Ų | 170.9 | 91% | 0.913 | 90% | 0.896 | S | S | * | * | trans | -163.8 | 52.7 | 153.4 | -120.9 | -179.4 | -162.7 | -151.8 | 6 | 112.9 | ||||
| 9 | W | 36.2 | Very low | 34 | Very low | 237 Ų | 237 | 174.1 Ų | 174.1 | 90% | 0.898 | 90% | 0.895 | S | S | * | * | trans | -128.5 | 108.4 | 165.7 | -71.2 | 92.6 | 0 | 0 | 0 | 107 | ||||
| 10 | L | 32.5 | Very low | 33.8 | Very low | 175 Ų | 175 | 170.1 Ų | 170.1 | 92% | 0.916 | 89% | 0.889 | S | S | * | * | trans | 158.8 | 97.2 | 157.6 | -85 | 156.9 | 0 | 0 | 0 | 108.2 | ||||
| 11 | R | 35.8 | Very low | 33.6 | Very low | 243 Ų | 243 | 173.1 Ų | 173.1 | 92% | 0.917 | 89% | 0.889 | S | S | * | * | trans | -131.1 | 127.7 | 154.9 | -79.9 | -166.8 | 175.8 | -158.3 | -1.3 | 107.8 | ||||
| 12 | P | 33.7 | Very low | 33.2 | Very low | 127 Ų | 127 | 168.7 Ų | 168.7 | 83% | 0.825 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 149.3 | 176.9 | 25.2 | -21.2 | 0 | 0 | 0 | 112.2 | ||
| 13 | L | 35 | Very low | 33.1 | Very low | 168 Ų | 168 | 166.6 Ų | 166.6 | 88% | 0.88 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 142.7 | 174.1 | -73.3 | 154.6 | 0 | 0 | 0 | 110.7 | ||
| 14 | P | 33.6 | Very low | 33 | Very low | 125 Ų | 125 | 165.5 Ų | 165.5 | 81% | 0.812 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 140.3 | 173.4 | 17.1 | -6 | 0 | 0 | 0 | 112.6 | ||
| 15 | A | 31.6 | Very low | 32.7 | Very low | 92 Ų | 92 | 162.1 Ų | 162.1 | 76% | 0.76 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 16 | L | 30.7 | Very low | 32.4 | Very low | 174 Ų | 174 | 157.2 Ų | 157.2 | 91% | 0.911 | 85% | 0.854 | S | S | * | * | trans | -80.5 | 109 | 168.1 | -100.5 | 152.1 | 0 | 0 | 0 | 108.9 | ||||
| 17 | Q | 31.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 159.2 Ų | 159.2 | 82% | 0.822 | 85% | 0.852 | S | S | * | * | trans | -86.2 | 117.3 | 171.2 | -82.1 | -75.8 | 1.9 | 0 | 0 | 109.8 | ||||
| 18 | L | 29.2 | Very low | 33 | Very low | 172 Ų | 172 | 161.6 Ų | 161.6 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | trans | -70.1 | 119.1 | 170 | -122.8 | 85 | 0 | 0 | 0 | 108.6 | ||||
| 19 | R | 28.1 | Very low | 33.3 | Very low | 230 Ų | 230 | 156 Ų | 156 | 87% | 0.868 | 85% | 0.846 | S | S | * | * | trans | -121.1 | 105.3 | 167.8 | -161.8 | 168.9 | -162.1 | 163.9 | 5.5 | 109.6 | ||||
| 20 | A | 29.7 | Very low | 33.2 | Very low | 95 Ų | 95 | 150.9 Ų | 150.9 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | trans | -65.3 | 138.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 21 | R | 30.1 | Very low | 33.1 | Very low | 234 Ų | 234 | 148.8 Ų | 148.8 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -151.7 | 109.5 | 165.5 | -139.6 | 176.3 | -174.5 | 170.6 | 0 | 109.3 | ||||
| 22 | D | 31.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 150.9 | 170.1 | -61.7 | -57.9 | 0 | 0 | 0 | 111.6 | ||
| 23 | P | 36.4 | Very low | 33.1 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 131 | 163.6 | 25.4 | -12.4 | 0 | 0 | 0 | 112.5 | ||
| 24 | A | 29.9 | Very low | 33 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 158.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 25 | L | 30.7 | Very low | 33.2 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -75 | 143.5 | -177.1 | -86.6 | 133.5 | 0 | 0 | 0 | 115.7 | ||
| 26 | A | 32.9 | Very low | 33.6 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 74% | 0.736 | 84% | 0.836 | S | S | * | * | trans | 64.7 | 158.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 27 | P | 40.2 | Very low | 34 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | cis | -139.7 | -179.5 | 23 | 39.2 | -17 | 0 | 0 | 0 | 118.3 | ||||
| 28 | V | 40.2 | Very low | 34.3 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -68 | 154.8 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 29 | P | 39.8 | Very low | 34.5 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -135.7 | 169.3 | 124.4 | 29.6 | -11.6 | 0 | 0 | 0 | 114.5 | |||||
| 30 | T | 33.9 | Very low | 34.9 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -92.3 | 159 | -155.4 | 45.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 31 | S | 30.9 | Very low | 35.2 | Very low | 130 Ų | 130 | 141 Ų | 141 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | 88.8 | 132.6 | 143.1 | -159.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 32 | G | 30.9 | Very low | 35.5 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 143.2 | 99 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 33 | A | 39 | Very low | 36 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -63.7 | 146.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 34 | K | 32 | Very low | 36.1 | Very low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | 172.9 | 123.8 | 131.5 | -94 | 166.9 | -172.9 | -175.4 | 0 | 111.1 | ||||
| 35 | R | 38.4 | Very low | 36.6 | Very low | 241 Ų | 241 | 130.5 Ų | 130.5 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -72.7 | 149.8 | 158.8 | -77.1 | -175.3 | -176 | -178.5 | 2.1 | 108.3 | ||||
| 36 | P | 40.2 | Very low | 37.1 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | -152.2 | 168.5 | 85.5 | 38.3 | -18 | 0 | 0 | 0 | 117.2 | |||||
| 37 | T | 39.4 | Very low | 37.4 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 86.7 | 124.9 | 161.8 | 67.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 38 | P | 36.9 | Very low | 37.3 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 129.9 | 168.9 | 30.6 | -29.2 | 0 | 0 | 0 | 108.8 | V40 | P38-V40 PolarHBondContact O-N 3.33Å; P38-V40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | S | 32.9 | Very low | 37.5 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -60 | 112.4 | 168.7 | 40.1 | 0 | 0 | 0 | 0 | 108.8 | W41 | S39-W41 VanDerWaalsContact C-N 3.3Å; S39-W41 PolarHBondContact O-N 3.03Å | ||
| 40 | V | 36.5 | Very low | 37.6 | Very low | 135 Ų | 135 | 128 Ų | 128 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -57.2 | 101.1 | 161.9 | 175.4 | 0 | 0 | 0 | 0 | 105.7 | P38 A42 | P38-V40 PolarHBondContact O-N 3.33Å; P38-V40 VanDerWaalsContact O-N 3.09Å; V40-A42 PolarHBondContact O-N 3.34Å | ||
| 41 | W | 36.4 | Very low | 38.3 | Very low | 228 Ų | 228 | 125.4 Ų | 125.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -62.2 | 91.6 | 157.2 | -83.6 | 48.2 | 0 | 0 | 0 | 105.1 | S39 V43 | S39-W41 VanDerWaalsContact C-N 3.3Å; S39-W41 PolarHBondContact O-N 3.03Å; W41-V43 PolarHBondContact O-N 3.5Å | ||
| 42 | A | 36.1 | Very low | 39.5 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -60.8 | 96.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | V40 A44 | V40-A42 PolarHBondContact O-N 3.34Å; A42-A44 VanDerWaalsContact C-N 3.25Å; A42-A44 PolarHBondContact O-N 2.94Å | ||
| 43 | V | 41.7 | Very low | 41.5 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -57.2 | 100.5 | 167 | -165.9 | 0 | 0 | 0 | 0 | 104.2 | W41 P45 | W41-V43 PolarHBondContact O-N 3.5Å; V43-P45 WeakPolarHBondContact O-CD 3.26Å; V43-P45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | A | 39.4 | Very low | 43.5 | Very low | 76 Ų | 76 | 125 Ų | 125 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | trans | -52.8 | 124.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | A42 V46 | A42-A44 VanDerWaalsContact C-N 3.25Å; A42-A44 PolarHBondContact O-N 2.94Å; A44-V46 PolarHBondContact O-N 3.01Å | ||
| 45 | P | 40.5 | Very low | 45.9 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | trans | -61.3 | 113.3 | 174.5 | 24.1 | -28.9 | 0 | 0 | 0 | 105.8 | V43 C47 | V43-P45 WeakPolarHBondContact O-CD 3.26Å; V43-P45 VanDerWaalsContact O-N 3.15Å; P45-C47 PolarHBondContact O-N 3.49Å | ||
| 46 | V | 40 | Very low | 48 | Very low | 139 Ų | 139 | 111.8 Ų | 111.8 | 84% | 0.842 | 67% | 0.666 | S | S | * | * | trans | -50.8 | 112.5 | 164.5 | 171.9 | 0 | 0 | 0 | 0 | 104.8 | A44 A48 | A44-V46 PolarHBondContact O-N 3.01Å; V46-A48 VanDerWaalsContact C-N 3.34Å; V46-A48 PolarHBondContact O-N 3.01Å | ||
| 47 | C | 39.5 | Very low | 50.1 | Low | 114 Ų | 114 | 109.6 Ų | 109.6 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | -52.4 | 100.4 | 179.8 | -76.1 | 0 | 0 | 0 | 0 | 108.9 | P45 V49 | P45-C47 PolarHBondContact O-N 3.49Å; C47-V49 PolarHBondContact O-N 3.35Å | ||
| 48 | A | 39.6 | Very low | 52.2 | Low | 75 Ų | 75 | 105.9 Ų | 105.9 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | trans | -65 | 93.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | V46 H50 | V46-A48 VanDerWaalsContact C-N 3.34Å; V46-A48 PolarHBondContact O-N 3.01Å; A48-H50 PolarHBondContact O-N 3.34Å; A48-H50 PolarHBondContact O-ND1 3.26Å | ||
| 49 | V | 42.5 | Very low | 54.4 | Low | 117 Ų | 117 | 100.6 Ų | 100.6 | 71% | 0.709 | 60% | 0.599 | S | S | * | * | trans | -60.7 | 87.2 | 164 | 177 | 0 | 0 | 0 | 0 | 105.7 | C47 A51 | C47-V49 PolarHBondContact O-N 3.35Å; V49-A51 PolarHBondContact O-N 3.1Å | ||
| 50 | H | 43.5 | Very low | 56.8 | Low | 137 Ų | 137 | 98.1 Ų | 98.1 | 63% | 0.634 | 58% | 0.584 | S | S | * | * | trans | -56.4 | 131.1 | 158.8 | -81.5 | 71.3 | 0 | 0 | 0 | 105.5 | A48 N52 G53 | A48-H50 PolarHBondContact O-N 3.34Å; A48-H50 PolarHBondContact O-ND1 3.26Å; H50-N52 PolarHBondContact O-N 3.22Å; H50-G53 PolarHBondContact O-N 2.94Å | ||
| 51 | A | 48.1 | Very low | 59.3 | Low | 76 Ų | 76 | 92.9 Ų | 92.9 | 63% | 0.628 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -15.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V49 W54 | V49-A51 PolarHBondContact O-N 3.1Å; A51-W54 PolarHBondContact O-NE1 3.35Å |
| 52 | N | 55.8 | Low | 61.9 | Low | 102 Ų | 102 | 86.1 Ų | 86.1 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -22.7 | 174.1 | -64.2 | 5 | 0 | 0 | 0 | 114.1 | H50 Y55 E56 | H50-N52 PolarHBondContact O-N 3.22Å; N52-Y55 PolarHBondContact O-N 3.49Å; N52-E56 WeakPolarHBondContact O-CB 3.48Å; N52-E56 WeakPolarHBondContact O-CG 3.42Å; N52-E56 PolarHBondContact O-N 3.01Å |
| 53 | G | 72.6 | Confident | 64.6 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H50 A57 | H50-G53 PolarHBondContact O-N 2.94Å; G53-A57 WeakPolarHBondContact O-CB 3.16Å; G53-A57 PolarHBondContact O-N 2.93Å |
| 54 | W | 82.1 | Confident | 66.9 | Low | 155 Ų | 155 | 78.7 Ų | 78.7 | 59% | 0.587 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -72.7 | -33.1 | 176.7 | 69.2 | -89.2 | 0 | 0 | 0 | 111.8 | A51 L58 | A51-W54 PolarHBondContact O-NE1 3.35Å; W54-L58 WeakPolarHBondContact O-CB 3.33Å; W54-L58 PolarHBondContact O-N 3.36Å |
| 55 | Y | 81.5 | Confident | 69.4 | Low | 57 Ų | 57 | 80 Ų | 80 | 22% | 0.224 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -68.6 | -49.6 | 178.1 | 175.2 | -86.7 | 0 | 0 | 0 | 110.6 | N52 L58 A59 F186 R189 | N52-Y55 PolarHBondContact O-N 3.49Å; Y55-L58 PolarHBondContact O-N 3.49Å; Y55-A59 WeakPolarHBondContact O-CB 3.34Å; Y55-A59 PolarHBondContact O-N 3.47Å; Y55-F186 AromaticContact CD2-CE1 3.69Å; Y55-F186 HydrophobicContact CD2-CE1 3.69Å; Y55-F186 AromaticContact CD2-CZ 3.84Å; Y55-F186 HydrophobicContact CD2-CZ 3.84Å; Y55-F186 HydrophobicContact CE1-CE1 4.35Å; Y55-F186 HydrophobicContact CE2-CD1 4.29Å; Y55-F186 AromaticContact CE2-CE1 3.21Å; Y55-F186 HydrophobicContact CE2-CE1 3.21Å; Y55-F186 AromaticContact CE2-CZ 3.51Å; Y55-F186 HydrophobicContact CE2-CZ 3.51Å; Y55-F186 HydrophobicContact CG-CE1 4.42Å; Y55-F186 AromaticContact CZ-CE1 3.55Å; Y55-R189 WeakPolarHBondContact OH-CD 3.31Å; Y55-R189 PolarHBondContact OH-NE 3.44Å; Y55-R189 PolarHBondContact OH-NH1 3.14Å |
| 56 | E | 82.5 | Confident | 71.8 | Confident | 114 Ų | 114 | 78 Ų | 78 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.3 | -72.8 | 171.2 | -167.2 | 0 | 0 | 111.5 | N52 L58 A59 A60 | N52-E56 WeakPolarHBondContact O-CB 3.48Å; N52-E56 WeakPolarHBondContact O-CG 3.42Å; N52-E56 PolarHBondContact O-N 3.01Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.46Å; E56-A59 PolarHBondContact O-N 2.91Å; E56-A60 VanDerWaalsContact O-CB 3.29Å; E56-A60 WeakPolarHBondContact O-CB 3.36Å; E56-A60 PolarHBondContact O-N 3.48Å |
| 57 | A | 83.6 | Confident | 74.3 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G53 S61 | G53-A57 WeakPolarHBondContact O-CB 3.16Å; G53-A57 PolarHBondContact O-N 2.93Å; A57-S61 PolarHBondContact O-N 2.89Å |
| 58 | L | 84.7 | Confident | 76.8 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 26% | 0.262 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.7 | -43.5 | 175.2 | -174.4 | 64.4 | 0 | 0 | 0 | 111.4 | W54 Y55 E56 A60 S61 V64 I182 F183 F186 | W54-L58 WeakPolarHBondContact O-CB 3.33Å; W54-L58 PolarHBondContact O-N 3.36Å; Y55-L58 PolarHBondContact O-N 3.49Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.46Å; L58-A60 VanDerWaalsContact C-N 3.27Å; L58-A60 PolarHBondContact O-N 2.96Å; L58-S61 WeakPolarHBondContact O-CB 3.34Å; L58-S61 PolarHBondContact O-N 3.4Å; L58-S61 VanDerWaalsContact O-N 3.13Å; L58-S61 PolarHBondContact O-OG 3.32Å; L58-V64 WeakPolarHBondContact O-CG2 3.44Å; L58-I182 HydrophobicContact CD2-CG2 4.37Å; L58-F183 HydrophobicContact CD1-CE1 3.93Å; L58-F186 HydrophobicContact CD2-CD2 4.32Å; L58-F186 HydrophobicContact CD2-CE1 4.2Å; L58-F186 HydrophobicContact CD2-CE2 3.71Å; L58-F186 HydrophobicContact CD2-CZ 3.65Å; L58-F186 HydrophobicContact CG-CE1 4.42Å; L58-F186 HydrophobicContact CG-CE2 4.48Å; L58-F186 HydrophobicContact CG-CZ 4.33Å |
| 59 | A | 82.4 | Confident | 79.3 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.4 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y55 E56 S61 V64 F186 N190 | Y55-A59 WeakPolarHBondContact O-CB 3.34Å; Y55-A59 PolarHBondContact O-N 3.47Å; E56-A59 PolarHBondContact O-N 2.91Å; A59-S61 VanDerWaalsContact C-N 3.33Å; A59-V64 VanDerWaalsContact O-CG1 3.29Å; A59-V64 WeakPolarHBondContact O-CG1 3.49Å; A59-F186 HydrophobicContact CB-CD1 3.89Å; A59-F186 HydrophobicContact CB-CE1 4.28Å; A59-N190 PolarHBondContact O-ND2 2.92Å |
| 60 | A | 83.7 | Confident | 81.7 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 37% | 0.372 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 1.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | E56 L58 H197 | E56-A60 VanDerWaalsContact O-CB 3.29Å; E56-A60 WeakPolarHBondContact O-CB 3.36Å; E56-A60 PolarHBondContact O-N 3.48Å; L58-A60 VanDerWaalsContact C-N 3.27Å; L58-A60 PolarHBondContact O-N 2.96Å; A60-H197 WeakPolarHBondContact CA-NE2 3.42Å; A60-H197 VanDerWaalsContact CB-NE2 3.28Å; A60-H197 WeakPolarHBondContact CB-NE2 3.43Å |
| 61 | S | 90.1 | Very high | 84 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -67 | 149.3 | -174.2 | 70.2 | 0 | 0 | 0 | 0 | 112.4 | A57 L58 A59 P63 V64 R65 | A57-S61 PolarHBondContact O-N 2.89Å; L58-S61 WeakPolarHBondContact O-CB 3.34Å; L58-S61 PolarHBondContact O-N 3.4Å; L58-S61 VanDerWaalsContact O-N 3.13Å; L58-S61 PolarHBondContact O-OG 3.32Å; A59-S61 VanDerWaalsContact C-N 3.33Å; S61-P63 VanDerWaalsContact C-CD 3.46Å; S61-P63 VanDerWaalsContact C-N 3.33Å; S61-V64 PolarHBondContact O-N 2.93Å; S61-V64 WeakPolarHBondContact OG-CG2 3.43Å; S61-R65 PolarHBondContact O-N 3.12Å; S61-R65 VanDerWaalsContact O-N 3.13Å |
| 62 | S | 90.8 | Very high | 86.1 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -52.5 | -41.5 | 178.6 | 168.4 | 0 | 0 | 0 | 0 | 113.9 | V64 R65 V66 | S62-V64 VanDerWaalsContact C-N 3.31Å; S62-V64 PolarHBondContact O-N 3.47Å; S62-R65 PolarHBondContact O-N 3.46Å; S62-V66 WeakPolarHBondContact O-CG2 3.29Å; S62-V66 PolarHBondContact O-N 2.81Å |
| 63 | P | 91.6 | Very high | 87.8 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 176.5 | -24.7 | 35.5 | 0 | 0 | 0 | 114.2 | S61 A67 F183 | S61-P63 VanDerWaalsContact C-CD 3.46Å; S61-P63 VanDerWaalsContact C-N 3.33Å; P63-A67 PolarHBondContact O-N 3.02Å; P63-A67 VanDerWaalsContact O-N 3.08Å; P63-F183 HydrophobicContact CB-CD1 4.09Å; P63-F183 HydrophobicContact CB-CD2 3.56Å; P63-F183 HydrophobicContact CB-CE1 4.15Å; P63-F183 HydrophobicContact CB-CE2 3.64Å; P63-F183 HydrophobicContact CB-CG 3.81Å; P63-F183 HydrophobicContact CB-CZ 3.95Å; P63-F183 HydrophobicContact CG-CE1 4.47Å; P63-F183 HydrophobicContact CG-CE2 4.11Å; P63-F183 HydrophobicContact CG-CZ 4.09Å |
| 64 | V | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.6 | -42.1 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | L58 A59 S61 S62 V66 A67 E68 F183 F186 A187 | L58-V64 WeakPolarHBondContact O-CG2 3.44Å; A59-V64 VanDerWaalsContact O-CG1 3.29Å; A59-V64 WeakPolarHBondContact O-CG1 3.49Å; S61-V64 PolarHBondContact O-N 2.93Å; S61-V64 WeakPolarHBondContact OG-CG2 3.43Å; S62-V64 VanDerWaalsContact C-N 3.31Å; S62-V64 PolarHBondContact O-N 3.47Å; V64-V66 VanDerWaalsContact C-N 3.35Å; V64-V66 PolarHBondContact O-N 2.93Å; V64-A67 WeakPolarHBondContact O-CA 3.39Å; V64-A67 WeakPolarHBondContact O-CB 3.31Å; V64-A67 PolarHBondContact O-N 2.73Å; V64-A67 VanDerWaalsContact O-N 3.09Å; V64-E68 WeakPolarHBondContact O-CG 3.48Å; V64-E68 PolarHBondContact O-N 2.74Å; V64-F183 HydrophobicContact CG2-CB 4.18Å; V64-F183 HydrophobicContact CG2-CD1 3.86Å; V64-F183 HydrophobicContact CG2-CG 4.41Å; V64-F186 HydrophobicContact CG1-CB 4.08Å; V64-F186 HydrophobicContact CG2-CB 3.85Å; V64-A187 HydrophobicContact CG1-CB 4.12Å |
| 65 | R | 90.2 | Very high | 89.2 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.9 | -64.5 | 177.5 | 63.1 | 124.1 | 5.9 | 112.5 | S61 S62 A67 E68 E69 | S61-R65 PolarHBondContact O-N 3.12Å; S61-R65 VanDerWaalsContact O-N 3.13Å; S62-R65 PolarHBondContact O-N 3.46Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.91Å; R65-E68 WeakPolarHBondContact O-CB 3.47Å; R65-E68 PolarHBondContact O-N 3.03Å; R65-E69 WeakPolarHBondContact O-CG 3.48Å; R65-E69 PolarHBondContact O-N 3.4Å |
| 66 | V | 92.4 | Very high | 89.6 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | S62 V64 E69 V70 | S62-V66 WeakPolarHBondContact O-CG2 3.29Å; S62-V66 PolarHBondContact O-N 2.81Å; V64-V66 VanDerWaalsContact C-N 3.35Å; V64-V66 PolarHBondContact O-N 2.93Å; V66-E69 PolarHBondContact O-N 3.2Å; V66-V70 HydrophobicContact CG1-CG2 4.45Å; V66-V70 WeakPolarHBondContact O-CB 3.34Å; V66-V70 VanDerWaalsContact O-CG2 3.26Å; V66-V70 WeakPolarHBondContact O-CG2 3.26Å; V66-V70 PolarHBondContact O-N 2.99Å |
| 67 | A | 92.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P63 V64 R65 V70 L71 M184 A187 | P63-A67 PolarHBondContact O-N 3.02Å; P63-A67 VanDerWaalsContact O-N 3.08Å; V64-A67 WeakPolarHBondContact O-CA 3.39Å; V64-A67 WeakPolarHBondContact O-CB 3.31Å; V64-A67 PolarHBondContact O-N 2.73Å; V64-A67 VanDerWaalsContact O-N 3.09Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.91Å; A67-V70 PolarHBondContact O-N 3.42Å; A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 2.97Å; A67-M184 HydrophobicContact CB-SD 3.56Å; A67-M184 VanDerWaalsContact CB-SD 3.56Å; A67-A187 HydrophobicContact CB-CB 3.68Å |
| 68 | E | 91.9 | Very high | 90.5 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 172.9 | -68.4 | 171.8 | -173.6 | 0 | 0 | 111.2 | V64 R65 V70 L71 L72 A187 N190 L191 | V64-E68 WeakPolarHBondContact O-CG 3.48Å; V64-E68 PolarHBondContact O-N 2.74Å; R65-E68 WeakPolarHBondContact O-CB 3.47Å; R65-E68 PolarHBondContact O-N 3.03Å; E68-V70 VanDerWaalsContact C-N 3.33Å; E68-V70 PolarHBondContact O-N 2.82Å; E68-L71 PolarHBondContact O-N 3.43Å; E68-L72 WeakPolarHBondContact O-CB 3.25Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.25Å; E68-L72 PolarHBondContact O-N 3.34Å; E68-A187 HydrophobicContact CG-CB 3.64Å; E68-N190 WeakPolarHBondContact OE1-CB 3.45Å; E68-N190 PolarHBondContact OE1-ND2 2.96Å; E68-L191 HydrophobicContact CG-CD2 4.43Å; E68-L191 HydrophobicContact CG-CG 4.33Å |
| 69 | E | 91.4 | Very high | 90.7 | Very high | 119 Ų | 119 | 51 Ų | 51 | 56% | 0.556 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 178 | -73.3 | 173.6 | -165.8 | 0 | 0 | 112.4 | R65 V66 G73 | R65-E69 WeakPolarHBondContact O-CG 3.48Å; R65-E69 PolarHBondContact O-N 3.4Å; V66-E69 PolarHBondContact O-N 3.2Å; E69-G73 PolarHBondContact O-N 3.36Å |
| 70 | V | 92.3 | Very high | 91 | Very high | 73 Ų | 73 | 54 Ų | 54 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 175.3 | 167.6 | 0 | 0 | 0 | 0 | 111 | V66 A67 E68 G73 V74 | V66-V70 HydrophobicContact CG1-CG2 4.45Å; V66-V70 WeakPolarHBondContact O-CB 3.34Å; V66-V70 VanDerWaalsContact O-CG2 3.26Å; V66-V70 WeakPolarHBondContact O-CG2 3.26Å; V66-V70 PolarHBondContact O-N 2.99Å; A67-V70 PolarHBondContact O-N 3.42Å; E68-V70 VanDerWaalsContact C-N 3.33Å; E68-V70 PolarHBondContact O-N 2.82Å; V70-G73 PolarHBondContact O-N 3.23Å; V70-V74 WeakPolarHBondContact O-CB 3.26Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.43Å; V70-V74 PolarHBondContact O-N 3.2Å |
| 71 | L | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 178.1 | -74.9 | 165.6 | 0 | 0 | 0 | 111.6 | A67 E68 V74 Q75 S89 M184 A187 L188 L191 | A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 2.97Å; E68-L71 PolarHBondContact O-N 3.43Å; L71-V74 PolarHBondContact O-N 3.33Å; L71-Q75 WeakPolarHBondContact O-CB 3.43Å; L71-Q75 PolarHBondContact O-N 3.23Å; L71-S89 WeakPolarHBondContact CD2-OG 3.27Å; L71-M184 HydrophobicContact CD1-CE 3.9Å; L71-M184 HydrophobicContact CD2-CE 3.79Å; L71-M184 HydrophobicContact CG-CE 3.82Å; L71-A187 HydrophobicContact CD1-CB 4.22Å; L71-L188 HydrophobicContact CD1-CD2 3.67Å; L71-L188 HydrophobicContact CD1-CG 3.86Å; L71-L188 HydrophobicContact CD2-CD2 4.32Å; L71-L191 HydrophobicContact CB-CD1 4.25Å; L71-L191 HydrophobicContact CD1-CD1 3.88Å |
| 72 | L | 91.7 | Very high | 91.5 | Very high | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.7 | -70.1 | 167.1 | 0 | 0 | 0 | 111.5 | E68 Q75 A76 W82 V204 | E68-L72 WeakPolarHBondContact O-CB 3.25Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.25Å; E68-L72 PolarHBondContact O-N 3.34Å; L72-Q75 PolarHBondContact O-N 3.41Å; L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.34Å; L72-A76 PolarHBondContact O-N 3.3Å; L72-W82 HydrophobicContact CD2-CH2 3.81Å; L72-W82 HydrophobicContact CD2-CZ2 4.29Å; L72-V204 HydrophobicContact CD2-CG1 4.2Å; L72-V204 HydrophobicContact CD2-CG2 3.61Å |
| 73 | G | 91.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E69 V70 T77 | E69-G73 PolarHBondContact O-N 3.36Å; V70-G73 PolarHBondContact O-N 3.23Å; G73-T77 WeakPolarHBondContact O-CB 3.25Å; G73-T77 VanDerWaalsContact O-CG2 3.25Å; G73-T77 WeakPolarHBondContact O-CG2 3.36Å; G73-T77 PolarHBondContact O-N 3.26Å; G73-T77 PolarHBondContact O-OG1 3.35Å |
| 74 | V | 92.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 51.3 Ų | 51.3 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | V70 L71 T77 T78 L88 | V70-V74 WeakPolarHBondContact O-CB 3.26Å; V70-V74 VanDerWaalsContact O-CG2 3.27Å; V70-V74 WeakPolarHBondContact O-CG2 3.43Å; V70-V74 PolarHBondContact O-N 3.2Å; L71-V74 PolarHBondContact O-N 3.33Å; V74-T77 PolarHBondContact O-OG1 2.81Å; V74-T77 VanDerWaalsContact O-OG1 3.13Å; V74-T78 HydrophobicContact CG1-CG2 4.47Å; V74-T78 WeakPolarHBondContact O-CB 3.05Å; V74-T78 WeakPolarHBondContact O-CG2 3.16Å; V74-T78 PolarHBondContact O-N 2.97Å; V74-T78 PolarHBondContact O-OG1 3.12Å; V74-L88 HydrophobicContact CG1-CB 4.5Å; V74-L88 HydrophobicContact CG1-CD2 4.08Å; V74-L88 HydrophobicContact CG1-CG 4.4Å |
| 75 | Q | 92 | Very high | 91.7 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 178.6 | -172.9 | -125.2 | -3 | 0 | 0 | 111.7 | L71 L72 T77 T78 G79 W82 S85 | L71-Q75 WeakPolarHBondContact O-CB 3.43Å; L71-Q75 PolarHBondContact O-N 3.23Å; L72-Q75 PolarHBondContact O-N 3.41Å; Q75-T77 PolarHBondContact O-N 3.01Å; Q75-T78 PolarHBondContact O-N 3.38Å; Q75-G79 WeakPolarHBondContact O-CA 3.5Å; Q75-G79 PolarHBondContact O-N 2.84Å; Q75-W82 HydrophobicContact CB-CH2 4.36Å; Q75-W82 HydrophobicContact CB-CZ2 4.5Å; Q75-W82 HydrophobicContact CB-CZ3 4.47Å; Q75-W82 VanDerWaalsContact CD-CE2 3.42Å; Q75-W82 HydrophobicContact CG-CD2 4.24Å; Q75-W82 HydrophobicContact CG-CH2 4.4Å; Q75-W82 HydrophobicContact CG-CZ2 4.07Å; Q75-W82 VanDerWaalsContact NE2-NE1 3.15Å; Q75-S85 WeakPolarHBondContact CA-OG 3.37Å |
| 76 | A | 90.4 | Very high | 91.9 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.1 | -36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L72 | L72-A76 VanDerWaalsContact O-CB 3.26Å; L72-A76 WeakPolarHBondContact O-CB 3.34Å; L72-A76 PolarHBondContact O-N 3.3Å |
| 77 | T | 92.8 | Very high | 92 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 72% | 0.718 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -79 | -34 | 179.8 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | G73 V74 Q75 | G73-T77 WeakPolarHBondContact O-CB 3.25Å; G73-T77 VanDerWaalsContact O-CG2 3.25Å; G73-T77 WeakPolarHBondContact O-CG2 3.36Å; G73-T77 PolarHBondContact O-N 3.26Å; G73-T77 PolarHBondContact O-OG1 3.35Å; V74-T77 PolarHBondContact O-OG1 2.81Å; V74-T77 VanDerWaalsContact O-OG1 3.13Å; Q75-T77 PolarHBondContact O-N 3.01Å |
| 78 | T | 92.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 34% | 0.344 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -94 | -23.4 | -176.2 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | V74 Q75 L80 L88 | V74-T78 HydrophobicContact CG1-CG2 4.47Å; V74-T78 WeakPolarHBondContact O-CB 3.05Å; V74-T78 WeakPolarHBondContact O-CG2 3.16Å; V74-T78 PolarHBondContact O-N 2.97Å; V74-T78 PolarHBondContact O-OG1 3.12Å; Q75-T78 PolarHBondContact O-N 3.38Å; T78-L80 PolarHBondContact O-N 2.96Å; T78-L80 VanDerWaalsContact O-N 3.15Å; T78-L88 HydrophobicContact CG2-CD2 3.64Å |
| 79 | G | 87.9 | Confident | 92.2 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 69% | 0.691 | 30% | 0.297 | S | S | * | . | trans | 63.5 | 12.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q75 | Q75-G79 WeakPolarHBondContact O-CA 3.5Å; Q75-G79 PolarHBondContact O-N 2.84Å | ||
| 80 | L | 89.7 | Confident | 92.4 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | trans | -73.9 | 152.5 | -179.2 | -71.3 | 173.6 | 0 | 0 | 0 | 110.9 | T78 S85 L88 | T78-L80 PolarHBondContact O-N 2.96Å; T78-L80 VanDerWaalsContact O-N 3.15Å; L80-S85 PolarHBondContact O-OG 3.49Å; L80-L88 HydrophobicContact CD1-CD2 4.33Å | ||
| 81 | P | 91.5 | Very high | 92.5 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | trans | -51.9 | 153.3 | 165.9 | -24 | 33.5 | 0 | 0 | 0 | 111.2 | W83 G84 S85 | P81-W83 VanDerWaalsContact C-N 3.27Å; P81-W83 HydrophobicContact CB-CG 4.46Å; P81-W83 PolarHBondContact O-N 3.43Å; P81-G84 WeakPolarHBondContact O-CA 3.26Å; P81-G84 PolarHBondContact O-N 3.37Å; P81-S85 PolarHBondContact O-N 3.36Å; P81-S85 PolarHBondContact O-OG 3.48Å | ||
| 82 | W | 92.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.2 | -38.8 | -174.9 | -84.6 | 97.9 | 0 | 0 | 0 | 113.6 | L72 Q75 G84 S85 I86 V204 L208 G211 L219 | L72-W82 HydrophobicContact CD2-CH2 3.81Å; L72-W82 HydrophobicContact CD2-CZ2 4.29Å; Q75-W82 HydrophobicContact CB-CH2 4.36Å; Q75-W82 HydrophobicContact CB-CZ2 4.5Å; Q75-W82 HydrophobicContact CB-CZ3 4.47Å; Q75-W82 VanDerWaalsContact CD-CE2 3.42Å; Q75-W82 HydrophobicContact CG-CD2 4.24Å; Q75-W82 HydrophobicContact CG-CH2 4.4Å; Q75-W82 HydrophobicContact CG-CZ2 4.07Å; Q75-W82 VanDerWaalsContact NE2-NE1 3.15Å; W82-G84 VanDerWaalsContact C-N 3.29Å; W82-G84 PolarHBondContact O-N 3.44Å; W82-S85 PolarHBondContact O-N 2.88Å; W82-I86 VanDerWaalsContact O-CG1 3.22Å; W82-I86 WeakPolarHBondContact O-CG1 3.28Å; W82-I86 PolarHBondContact O-N 2.93Å; W82-V204 HydrophobicContact CH2-CG1 3.77Å; W82-V204 HydrophobicContact CZ2-CG1 3.58Å; W82-L208 HydrophobicContact CB-CG 4.39Å; W82-L208 HydrophobicContact CD2-CD1 3.39Å; W82-L208 HydrophobicContact CD2-CG 3.86Å; W82-L208 HydrophobicContact CE3-CD1 3.65Å; W82-L208 HydrophobicContact CE3-CG 4.12Å; W82-L208 HydrophobicContact CG-CD1 3.95Å; W82-L208 HydrophobicContact CG-CG 3.98Å; W82-L208 HydrophobicContact CH2-CD1 3.85Å; W82-L208 HydrophobicContact CZ2-CD1 3.63Å; W82-L208 HydrophobicContact CZ3-CD1 3.87Å; W82-G211 PolarHBondContact N-O 2.98Å; W82-L219 HydrophobicContact CB-CD1 3.53Å |
| 83 | W | 93.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 45 Ų | 45 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.4 | -43 | 174.6 | 72.9 | -97.2 | 0 | 0 | 0 | 112 | P81 L87 G211 I213 L219 L281 | P81-W83 VanDerWaalsContact C-N 3.27Å; P81-W83 HydrophobicContact CB-CG 4.46Å; P81-W83 PolarHBondContact O-N 3.43Å; W83-L87 HydrophobicContact CE3-CD2 4.25Å; W83-L87 HydrophobicContact CZ3-CD2 4.16Å; W83-L87 WeakPolarHBondContact O-CD1 3.25Å; W83-L87 PolarHBondContact O-N 3.4Å; W83-L87 VanDerWaalsContact O-N 3.08Å; W83-G211 VanDerWaalsContact CD1-O 3.29Å; W83-G211 PolarHBondContact N-O 3.22Å; W83-G211 VanDerWaalsContact N-O 3.16Å; W83-I213 HydrophobicContact CB-CG2 4.24Å; W83-I213 HydrophobicContact CD2-CB 4.24Å; W83-I213 HydrophobicContact CD2-CD1 4.23Å; W83-I213 HydrophobicContact CD2-CG2 3.91Å; W83-I213 HydrophobicContact CE3-CG2 4.4Å; W83-I213 HydrophobicContact CG-CB 4.02Å; W83-I213 HydrophobicContact CG-CG2 3.8Å; W83-I213 HydrophobicContact CH2-CD1 4.14Å; W83-I213 HydrophobicContact CZ2-CD1 3.55Å; W83-L219 HydrophobicContact CB-CD1 4.47Å; W83-L281 HydrophobicContact CB-CD2 3.77Å |
| 84 | G | 92.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P81 W82 L87 L88 | P81-G84 WeakPolarHBondContact O-CA 3.26Å; P81-G84 PolarHBondContact O-N 3.37Å; W82-G84 VanDerWaalsContact C-N 3.29Å; W82-G84 PolarHBondContact O-N 3.44Å; G84-L87 PolarHBondContact O-N 3.43Å; G84-L88 WeakPolarHBondContact O-CB 3.01Å; G84-L88 PolarHBondContact O-N 3.44Å |
| 85 | S | 93.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | Q75 L80 P81 W82 S89 | Q75-S85 WeakPolarHBondContact CA-OG 3.37Å; L80-S85 PolarHBondContact O-OG 3.49Å; P81-S85 PolarHBondContact O-N 3.36Å; P81-S85 PolarHBondContact O-OG 3.48Å; W82-S85 PolarHBondContact O-N 2.88Å; S85-S89 VanDerWaalsContact O-CB 3.29Å; S85-S89 WeakPolarHBondContact O-CB 3.31Å; S85-S89 PolarHBondContact O-N 2.82Å; S85-S89 PolarHBondContact O-OG 2.98Å |
| 86 | I | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 173.5 | -67.2 | 166.3 | 0 | 0 | 0 | 110.5 | W82 S89 T90 L188 L219 L281 | W82-I86 VanDerWaalsContact O-CG1 3.22Å; W82-I86 WeakPolarHBondContact O-CG1 3.28Å; W82-I86 PolarHBondContact O-N 2.93Å; I86-S89 WeakPolarHBondContact CA-OG 3.43Å; I86-S89 PolarHBondContact O-OG 3.49Å; I86-T90 WeakPolarHBondContact O-CB 3.39Å; I86-T90 PolarHBondContact O-N 2.91Å; I86-T90 PolarHBondContact O-OG1 3.36Å; I86-L188 HydrophobicContact CD1-CD2 3.9Å; I86-L188 HydrophobicContact CG1-CD2 3.91Å; I86-L219 HydrophobicContact CD1-CD1 4.45Å; I86-L281 HydrophobicContact CD1-CD2 4.47Å; I86-L281 HydrophobicContact CG2-CD2 4.48Å |
| 87 | L | 94.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 177.1 | -97.2 | 67.8 | 0 | 0 | 0 | 111.3 | W83 G84 T90 V91 L281 C285 | W83-L87 HydrophobicContact CE3-CD2 4.25Å; W83-L87 HydrophobicContact CZ3-CD2 4.16Å; W83-L87 WeakPolarHBondContact O-CD1 3.25Å; W83-L87 PolarHBondContact O-N 3.4Å; W83-L87 VanDerWaalsContact O-N 3.08Å; G84-L87 PolarHBondContact O-N 3.43Å; L87-T90 WeakPolarHBondContact O-CB 3.27Å; L87-T90 PolarHBondContact O-N 2.91Å; L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.39Å; L87-V91 PolarHBondContact O-N 2.83Å; L87-L281 HydrophobicContact CD1-CD1 3.77Å; L87-L281 HydrophobicContact CD1-CD2 3.85Å; L87-L281 HydrophobicContact CD1-CG 3.71Å; L87-C285 HydrophobicContact CD1-CB 4.43Å; L87-C285 HydrophobicContact CG-CB 4.33Å |
| 88 | L | 95.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | -177 | -179.9 | 63.4 | 0 | 0 | 0 | 112 | V74 T78 L80 G84 T90 V91 A92 | V74-L88 HydrophobicContact CG1-CB 4.5Å; V74-L88 HydrophobicContact CG1-CD2 4.08Å; V74-L88 HydrophobicContact CG1-CG 4.4Å; T78-L88 HydrophobicContact CG2-CD2 3.64Å; L80-L88 HydrophobicContact CD1-CD2 4.33Å; G84-L88 WeakPolarHBondContact O-CB 3.01Å; G84-L88 PolarHBondContact O-N 3.44Å; L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 3.42Å; L88-V91 PolarHBondContact O-N 3.32Å; L88-A92 VanDerWaalsContact O-CB 3.29Å; L88-A92 WeakPolarHBondContact O-CB 3.38Å; L88-A92 PolarHBondContact O-N 2.94Å |
| 89 | S | 93.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 176.5 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | L71 S85 I86 L93 | L71-S89 WeakPolarHBondContact CD2-OG 3.27Å; S85-S89 VanDerWaalsContact O-CB 3.29Å; S85-S89 WeakPolarHBondContact O-CB 3.31Å; S85-S89 PolarHBondContact O-N 2.82Å; S85-S89 PolarHBondContact O-OG 2.98Å; I86-S89 WeakPolarHBondContact CA-OG 3.43Å; I86-S89 PolarHBondContact O-OG 3.49Å; S89-L93 WeakPolarHBondContact O-CB 3.18Å; S89-L93 PolarHBondContact O-N 2.97Å |
| 90 | T | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | I86 L87 L88 L93 R94 Y282 C285 | I86-T90 WeakPolarHBondContact O-CB 3.39Å; I86-T90 PolarHBondContact O-N 2.91Å; I86-T90 PolarHBondContact O-OG1 3.36Å; L87-T90 WeakPolarHBondContact O-CB 3.27Å; L87-T90 PolarHBondContact O-N 2.91Å; L88-T90 VanDerWaalsContact C-N 3.28Å; L88-T90 PolarHBondContact O-N 3.42Å; T90-L93 PolarHBondContact O-N 2.83Å; T90-R94 HydrophobicContact CG2-CG 4.17Å; T90-R94 WeakPolarHBondContact O-CB 3.45Å; T90-R94 WeakPolarHBondContact O-CG 3.42Å; T90-R94 PolarHBondContact O-N 2.62Å; T90-Y282 HydrophobicContact CG2-CD2 4.12Å; T90-Y282 HydrophobicContact CG2-CE2 4.01Å; T90-Y282 VanDerWaalsContact OG1-CD2 3.25Å; T90-Y282 WeakPolarHBondContact OG1-CD2 3.48Å; T90-C285 HydrophobicContact CG2-CB 4.05Å |
| 91 | V | 94.9 | Very high | 93.1 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L87 L88 G95 M289 | L87-V91 VanDerWaalsContact O-CG2 3.3Å; L87-V91 WeakPolarHBondContact O-CG2 3.39Å; L87-V91 PolarHBondContact O-N 2.83Å; L88-V91 PolarHBondContact O-N 3.32Å; V91-G95 WeakPolarHBondContact O-CA 3.25Å; V91-G95 PolarHBondContact O-N 2.84Å; V91-M289 HydrophobicContact CG1-CE 4.11Å; V91-M289 HydrophobicContact CG1-SD 4.4Å; V91-M289 HydrophobicContact CG2-CG 4.19Å; V91-M289 HydrophobicContact CG2-SD 3.91Å |
| 92 | A | 94.3 | Very high | 93.1 | Very high | 55 Ų | 55 | 34.9 Ų | 34.9 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L88 G95 A96 | L88-A92 VanDerWaalsContact O-CB 3.29Å; L88-A92 WeakPolarHBondContact O-CB 3.38Å; L88-A92 PolarHBondContact O-N 2.94Å; A92-G95 PolarHBondContact O-N 3Å; A92-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 3.5Å |
| 93 | L | 92.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 179.9 | -175.2 | 63.9 | 0 | 0 | 0 | 111.7 | S89 T90 V97 M180 M184 | S89-L93 WeakPolarHBondContact O-CB 3.18Å; S89-L93 PolarHBondContact O-N 2.97Å; T90-L93 PolarHBondContact O-N 2.83Å; L93-V97 HydrophobicContact CD1-CG2 3.99Å; L93-V97 WeakPolarHBondContact O-CB 3.26Å; L93-V97 PolarHBondContact O-N 3.11Å; L93-M180 HydrophobicContact CD1-CE 3.96Å; L93-M180 HydrophobicContact CD1-SD 4.08Å; L93-M180 HydrophobicContact CD2-CE 4.45Å; L93-M180 HydrophobicContact CD2-CG 3.72Å; L93-M180 HydrophobicContact CD2-SD 3.53Å; L93-M180 VanDerWaalsContact CD2-SD 3.53Å; L93-M180 HydrophobicContact CG-CE 4.1Å; L93-M180 HydrophobicContact CG-CG 4.37Å; L93-M180 HydrophobicContact CG-SD 3.58Å; L93-M180 VanDerWaalsContact CG-SD 3.58Å; L93-M184 HydrophobicContact CD2-CG 4.08Å; L93-M184 HydrophobicContact CD2-SD 4.2Å |
| 94 | R | 92.1 | Very high | 93 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -65 | -43.1 | 176.9 | -72.5 | -69.8 | -161.2 | 146.2 | 1.6 | 111.1 | T90 T98 L99 S286 M289 Q293 | T90-R94 HydrophobicContact CG2-CG 4.17Å; T90-R94 WeakPolarHBondContact O-CB 3.45Å; T90-R94 WeakPolarHBondContact O-CG 3.42Å; T90-R94 PolarHBondContact O-N 2.62Å; R94-T98 VanDerWaalsContact C-OG1 3.25Å; R94-T98 WeakPolarHBondContact CA-OG1 3.02Å; R94-T98 VanDerWaalsContact CD-OG1 3.3Å; R94-T98 WeakPolarHBondContact CD-OG1 3.27Å; R94-T98 CarbonylContact O-C 3.56Å; R94-T98 WeakPolarHBondContact O-CA 3.16Å; R94-T98 WeakPolarHBondContact O-CB 3.32Å; R94-T98 PolarHBondContact O-N 2.66Å; R94-T98 PolarHBondContact O-OG1 3.35Å; R94-L99 PolarHBondContact O-N 2.99Å; R94-S286 PolarHBondContact NE-OG 2.86Å; R94-S286 PolarHBondContact NH2-O 3.27Å; R94-S286 PolarHBondContact NH2-OG 2.66Å; R94-M289 HydrophobicContact CB-CB 4.07Å; R94-M289 HydrophobicContact CB-CE 4.34Å; R94-M289 HydrophobicContact CB-CG 4.37Å; R94-M289 HydrophobicContact CG-CB 4.05Å; R94-Q293 PolarHBondContact O-NE2 3.46Å; R94-Q293 VanDerWaalsContact O-NE2 3.14Å |
| 95 | G | 93.1 | Very high | 92.9 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -67.3 | -46.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V91 A92 L99 | V91-G95 WeakPolarHBondContact O-CA 3.25Å; V91-G95 PolarHBondContact O-N 2.84Å; A92-G95 PolarHBondContact O-N 3Å; G95-L99 WeakPolarHBondContact O-CB 3.42Å |
| 96 | A | 93 | Very high | 92.7 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -77.2 | -39 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A92 P100 | A92-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 3.5Å; A96-P100 VanDerWaalsContact O-CG 3.27Å; A96-P100 WeakPolarHBondContact O-CG 3.38Å |
| 97 | V | 91.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 30% | 0.303 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -100.7 | -51.8 | -174.4 | -174 | 0 | 0 | 0 | 0 | 111.3 | L93 P100 L101 I176 M180 | L93-V97 HydrophobicContact CD1-CG2 3.99Å; L93-V97 WeakPolarHBondContact O-CB 3.26Å; L93-V97 PolarHBondContact O-N 3.11Å; V97-P100 WeakPolarHBondContact O-CD 3.46Å; V97-P100 WeakPolarHBondContact O-CG 3.33Å; V97-L101 VanDerWaalsContact O-CD1 3.25Å; V97-L101 WeakPolarHBondContact O-CD1 3.49Å; V97-I176 HydrophobicContact CG1-CG2 4.21Å; V97-M180 HydrophobicContact CB-CE 3.97Å; V97-M180 HydrophobicContact CG1-CE 3.67Å; V97-M180 HydrophobicContact CG2-CE 4.38Å |
| 98 | T | 91.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -85.3 | -31.4 | -164.5 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | R94 L101 A102 M180 Q293 | R94-T98 VanDerWaalsContact C-OG1 3.25Å; R94-T98 WeakPolarHBondContact CA-OG1 3.02Å; R94-T98 VanDerWaalsContact CD-OG1 3.3Å; R94-T98 WeakPolarHBondContact CD-OG1 3.27Å; R94-T98 CarbonylContact O-C 3.56Å; R94-T98 WeakPolarHBondContact O-CA 3.16Å; R94-T98 WeakPolarHBondContact O-CB 3.32Å; R94-T98 PolarHBondContact O-N 2.66Å; R94-T98 PolarHBondContact O-OG1 3.35Å; T98-L101 PolarHBondContact O-N 3.37Å; T98-A102 WeakPolarHBondContact O-CB 3.48Å; T98-A102 PolarHBondContact O-N 2.92Å; T98-M180 HydrophobicContact CG2-CE 4.19Å; T98-M180 HydrophobicContact CG2-SD 4.05Å; T98-Q293 PolarHBondContact OG1-NE2 2.95Å |
| 99 | L | 92.2 | Very high | 92.2 | Very high | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 176.4 | -179.8 | 69.5 | 0 | 0 | 0 | 113.3 | R94 G95 L101 A102 A103 Q293 F302 | R94-L99 PolarHBondContact O-N 2.99Å; G95-L99 WeakPolarHBondContact O-CB 3.42Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 3.45Å; L99-A102 PolarHBondContact O-N 2.98Å; L99-A103 PolarHBondContact O-N 3.11Å; L99-Q293 HydrophobicContact CD1-CB 4.46Å; L99-Q293 HydrophobicContact CD1-CG 3.84Å; L99-F302 HydrophobicContact CD1-CE1 4.35Å; L99-F302 HydrophobicContact CD1-CZ 4.22Å; L99-F302 HydrophobicContact CD2-CZ 4.45Å |
| 100 | P | 92.4 | Very high | 92 | Very high | 67 Ų | 67 | 42 Ų | 42 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 178.1 | 23.9 | -33.2 | 0 | 0 | 0 | 112 | A96 V97 A102 A103 Y104 | A96-P100 VanDerWaalsContact O-CG 3.27Å; A96-P100 WeakPolarHBondContact O-CG 3.38Å; V97-P100 WeakPolarHBondContact O-CD 3.46Å; V97-P100 WeakPolarHBondContact O-CG 3.33Å; P100-A102 VanDerWaalsContact C-N 3.35Å; P100-A103 PolarHBondContact O-N 3.46Å; P100-Y104 PolarHBondContact O-N 3.25Å |
| 101 | L | 92.6 | Very high | 91.8 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 174.5 | -90.7 | 64.6 | 0 | 0 | 0 | 111.8 | V97 T98 L99 Y104 Q105 L173 I176 | V97-L101 VanDerWaalsContact O-CD1 3.25Å; V97-L101 WeakPolarHBondContact O-CD1 3.49Å; T98-L101 PolarHBondContact O-N 3.37Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 3.45Å; L101-Y104 PolarHBondContact O-N 3.03Å; L101-Q105 WeakPolarHBondContact O-CB 3.33Å; L101-Q105 PolarHBondContact O-N 3.41Å; L101-L173 HydrophobicContact CB-CD1 3.69Å; L101-L173 HydrophobicContact CD2-CD1 4.48Å; L101-I176 HydrophobicContact CD2-CB 4.11Å; L101-I176 HydrophobicContact CD2-CD1 3.43Å; L101-I176 VanDerWaalsContact CD2-CD1 3.43Å; L101-I176 HydrophobicContact CD2-CG1 4.33Å; L101-I176 HydrophobicContact CD2-CG2 4.11Å |
| 102 | A | 91.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T98 L99 P100 Y104 Q105 H106 L173 L297 | T98-A102 WeakPolarHBondContact O-CB 3.48Å; T98-A102 PolarHBondContact O-N 2.92Å; L99-A102 PolarHBondContact O-N 2.98Å; P100-A102 VanDerWaalsContact C-N 3.35Å; A102-Y104 VanDerWaalsContact C-N 3.3Å; A102-Y104 PolarHBondContact O-N 2.93Å; A102-Q105 WeakPolarHBondContact O-CB 3.3Å; A102-Q105 PolarHBondContact O-N 3Å; A102-H106 PolarHBondContact O-CD2 2.75Å; A102-H106 VanDerWaalsContact O-CD2 3.25Å; A102-H106 PolarHBondContact O-N 3.36Å; A102-L173 HydrophobicContact CB-CD2 3.94Å; A102-L297 HydrophobicContact CB-CD1 3.58Å |
| 103 | A | 92.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 12% | 0.116 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L99 P100 H106 Y107 L297 C306 | L99-A103 PolarHBondContact O-N 3.11Å; P100-A103 PolarHBondContact O-N 3.46Å; A103-H106 PolarHBondContact O-N 3.14Å; A103-Y107 WeakPolarHBondContact O-CB 3.4Å; A103-Y107 PolarHBondContact O-N 3.45Å; A103-L297 HydrophobicContact CB-CD2 3.87Å; A103-C306 HydrophobicContact CB-CB 4.3Å |
| 104 | Y | 91.9 | Very high | 91.2 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 175 | -175.9 | -107.5 | 0 | 0 | 0 | 112.9 | P100 L101 A102 H106 Y107 I108 K169 | P100-Y104 PolarHBondContact O-N 3.25Å; L101-Y104 PolarHBondContact O-N 3.03Å; A102-Y104 VanDerWaalsContact C-N 3.3Å; A102-Y104 PolarHBondContact O-N 2.93Å; Y104-H106 PolarHBondContact O-N 2.98Å; Y104-Y107 WeakPolarHBondContact O-CB 3.18Å; Y104-Y107 PolarHBondContact O-N 3.44Å; Y104-I108 HydrophobicContact CD1-CG1 4.41Å; Y104-I108 HydrophobicContact CE1-CG1 3.99Å; Y104-I108 HydrophobicContact CE2-CD1 4.17Å; Y104-I108 HydrophobicContact CE2-CG1 4.2Å; Y104-I108 WeakPolarHBondContact O-CG1 3.48Å; Y104-I108 PolarHBondContact O-N 2.96Å; Y104-K169 HydrophobicContact CE1-CB 4.08Å; Y104-K169 WeakPolarHBondContact OH-CD 3.39Å |
| 105 | Q | 91.3 | Very high | 91.1 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 23% | 0.229 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 174.1 | 174.4 | -177.2 | -48.1 | 0 | 0 | 111.1 | L101 A102 Y107 I108 L109 A170 L173 | L101-Q105 WeakPolarHBondContact O-CB 3.33Å; L101-Q105 PolarHBondContact O-N 3.41Å; A102-Q105 WeakPolarHBondContact O-CB 3.3Å; A102-Q105 PolarHBondContact O-N 3Å; Q105-Y107 VanDerWaalsContact C-N 3.33Å; Q105-Y107 PolarHBondContact O-N 3.33Å; Q105-I108 PolarHBondContact O-N 3.25Å; Q105-L109 WeakPolarHBondContact O-CB 3.19Å; Q105-L109 PolarHBondContact O-N 2.91Å; Q105-A170 HydrophobicContact CG-CB 4.05Å; Q105-A170 WeakPolarHBondContact CG-O 3.47Å; Q105-A170 PolarHBondContact OE1-O 3.13Å; Q105-L173 VanDerWaalsContact OE1-CB 3.25Å |
| 106 | H | 88.9 | Confident | 90.9 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 18% | 0.181 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 178.8 | -84.3 | -97.5 | 0 | 0 | 0 | 112.1 | A102 A103 Y104 L109 A110 I308 | A102-H106 PolarHBondContact O-CD2 2.75Å; A102-H106 VanDerWaalsContact O-CD2 3.25Å; A102-H106 PolarHBondContact O-N 3.36Å; A103-H106 PolarHBondContact O-N 3.14Å; Y104-H106 PolarHBondContact O-N 2.98Å; H106-L109 PolarHBondContact O-N 3.22Å; H106-A110 VanDerWaalsContact O-CB 3.31Å; H106-A110 WeakPolarHBondContact O-CB 3.28Å; H106-A110 PolarHBondContact O-N 3.38Å; H106-I308 HydrophobicContact CB-CD1 3.96Å |
| 107 | Y | 91.4 | Very high | 90.8 | Very high | 70 Ų | 70 | 44 Ų | 44 | 28% | 0.275 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 173.4 | 176.9 | -90.3 | 0 | 0 | 0 | 112.5 | A103 Y104 Q105 A110 K111 R307 P309 | A103-Y107 WeakPolarHBondContact O-CB 3.4Å; A103-Y107 PolarHBondContact O-N 3.45Å; Y104-Y107 WeakPolarHBondContact O-CB 3.18Å; Y104-Y107 PolarHBondContact O-N 3.44Å; Q105-Y107 VanDerWaalsContact C-N 3.33Å; Q105-Y107 PolarHBondContact O-N 3.33Å; Y107-A110 PolarHBondContact O-N 3.35Å; Y107-K111 HydrophobicContact CE1-CD 3.86Å; Y107-K111 VanDerWaalsContact CE1-CE 3.47Å; Y107-K111 PolarHBondContact O-N 3.26Å; Y107-K111 VanDerWaalsContact O-N 3.17Å; Y107-K111 WeakPolarHBondContact OH-CE 3.34Å; Y107-K111 PolarHBondContact OH-NZ 2.85Å; Y107-R307 WeakPolarHBondContact CD2-O 3.31Å; Y107-R307 WeakPolarHBondContact CE2-O 3.29Å; Y107-P309 HydrophobicContact CD2-CG 4.41Å; Y107-P309 HydrophobicContact CE2-CG 4.18Å |
| 108 | I | 91.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 179.1 | -63 | -64.5 | 0 | 0 | 0 | 110.8 | Y104 Q105 A110 K111 V112 K169 A170 | Y104-I108 HydrophobicContact CD1-CG1 4.41Å; Y104-I108 HydrophobicContact CE1-CG1 3.99Å; Y104-I108 HydrophobicContact CE2-CD1 4.17Å; Y104-I108 HydrophobicContact CE2-CG1 4.2Å; Y104-I108 WeakPolarHBondContact O-CG1 3.48Å; Y104-I108 PolarHBondContact O-N 2.96Å; Q105-I108 PolarHBondContact O-N 3.25Å; I108-A110 VanDerWaalsContact C-N 3.33Å; I108-A110 PolarHBondContact O-N 2.82Å; I108-K111 WeakPolarHBondContact O-CB 2.9Å; I108-K111 PolarHBondContact O-N 2.87Å; I108-V112 WeakPolarHBondContact O-CG2 3.37Å; I108-V112 PolarHBondContact O-N 3.33Å; I108-K169 HydrophobicContact CG1-CB 4.27Å; I108-K169 HydrophobicContact CG2-CB 4.5Å; I108-A170 HydrophobicContact CB-CB 4.33Å; I108-A170 HydrophobicContact CG2-CB 4.14Å |
| 109 | L | 89.7 | Confident | 90.8 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 179.3 | -172.8 | 59.9 | 0 | 0 | 0 | 111.8 | Q105 H106 K111 V112 E113 | Q105-L109 WeakPolarHBondContact O-CB 3.19Å; Q105-L109 PolarHBondContact O-N 2.91Å; H106-L109 PolarHBondContact O-N 3.22Å; L109-K111 PolarHBondContact O-N 2.94Å; L109-V112 PolarHBondContact O-N 3.49Å; L109-E113 PolarHBondContact O-N 2.92Å |
| 110 | A | 89.5 | Confident | 90.8 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H106 Y107 I108 E113 N114 I308 P309 T311 | H106-A110 VanDerWaalsContact O-CB 3.31Å; H106-A110 WeakPolarHBondContact O-CB 3.28Å; H106-A110 PolarHBondContact O-N 3.38Å; Y107-A110 PolarHBondContact O-N 3.35Å; I108-A110 VanDerWaalsContact C-N 3.33Å; I108-A110 PolarHBondContact O-N 2.82Å; A110-E113 PolarHBondContact O-N 2.93Å; A110-N114 PolarHBondContact O-N 3.06Å; A110-I308 HydrophobicContact CB-CG2 3.95Å; A110-P309 HydrophobicContact CB-CB 4.43Å; A110-T311 HydrophobicContact CB-CG2 3.61Å; A110-T311 WeakPolarHBondContact O-CG2 3.39Å |
| 111 | K | 90.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 173 | -76.6 | -170.4 | 166.2 | -176.8 | 0 | 112.5 | Y107 I108 L109 E113 N114 L115 D163 C165 P309 | Y107-K111 HydrophobicContact CE1-CD 3.86Å; Y107-K111 VanDerWaalsContact CE1-CE 3.47Å; Y107-K111 PolarHBondContact O-N 3.26Å; Y107-K111 VanDerWaalsContact O-N 3.17Å; Y107-K111 WeakPolarHBondContact OH-CE 3.34Å; Y107-K111 PolarHBondContact OH-NZ 2.85Å; I108-K111 WeakPolarHBondContact O-CB 2.9Å; I108-K111 PolarHBondContact O-N 2.87Å; L109-K111 PolarHBondContact O-N 2.94Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.1Å; K111-N114 PolarHBondContact O-N 3.49Å; K111-L115 PolarHBondContact O-N 2.53Å; K111-L115 VanDerWaalsContact O-N 3.11Å; K111-D163 PolarHBondContact NZ-O 2.89Å; K111-C165 HydrophobicContact CB-CB 3.65Å; K111-C165 HydrophobicContact CD-CB 3.97Å; K111-C165 HydrophobicContact CG-CB 4.49Å; K111-P309 HydrophobicContact CG-CG 4.18Å |
| 112 | V | 89.7 | Confident | 91 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I108 L109 L115 Q116 Y160 C165 | I108-V112 WeakPolarHBondContact O-CG2 3.37Å; I108-V112 PolarHBondContact O-N 3.33Å; L109-V112 PolarHBondContact O-N 3.49Å; V112-L115 PolarHBondContact O-N 3.11Å; V112-Q116 PolarHBondContact O-N 3.08Å; V112-Q116 PolarHBondContact O-NE2 3.11Å; V112-Y160 HydrophobicContact CG1-CE1 4.26Å; V112-Y160 HydrophobicContact CG2-CE1 4.26Å; V112-C165 HydrophobicContact CG2-CB 4.22Å; V112-C165 WeakPolarHBondContact CG2-O 3.5Å |
| 113 | E | 88.8 | Confident | 91.1 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 175.9 | -166 | -171.8 | 151.8 | 0 | 0 | 111.7 | L109 A110 K111 L115 Q116 T311 S313 | L109-E113 PolarHBondContact O-N 2.92Å; A110-E113 PolarHBondContact O-N 2.93Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.1Å; E113-L115 PolarHBondContact O-N 3.21Å; E113-Q116 VanDerWaalsContact O-CB 3.26Å; E113-Q116 WeakPolarHBondContact O-CB 3.38Å; E113-Q116 WeakPolarHBondContact O-CG 3.46Å; E113-Q116 PolarHBondContact O-N 3.25Å; E113-T311 HydrophobicContact CB-CG2 4.14Å; E113-T311 VanDerWaalsContact CD-CB 3.45Å; E113-T311 VanDerWaalsContact CD-OG1 3.28Å; E113-T311 HydrophobicContact CG-CG2 4.49Å; E113-T311 WeakPolarHBondContact OE1-CB 3.23Å; E113-T311 PolarHBondContact OE1-OG1 3.08Å; E113-T311 WeakPolarHBondContact OE2-CB 3.27Å; E113-T311 PolarHBondContact OE2-OG1 3.49Å; E113-S313 WeakPolarHBondContact OE1-CB 3.43Å; E113-S313 PolarHBondContact OE1-N 3.05Å; E113-S313 PolarHBondContact OE1-OG 3.24Å |
| 114 | N | 90.6 | Very high | 91.2 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.1 | -22.9 | 177.5 | -76 | -17.5 | 0 | 0 | 0 | 113.4 | A110 K111 P117 S310 T311 | A110-N114 PolarHBondContact O-N 3.06Å; K111-N114 PolarHBondContact O-N 3.49Å; N114-P117 VanDerWaalsContact O-CD 3.31Å; N114-P117 WeakPolarHBondContact O-CD 3.45Å; N114-S310 PolarHBondContact ND2-O 3.48Å; N114-S310 PolarHBondContact OD1-O 3.26Å; N114-T311 WeakPolarHBondContact OD1-CA 3.41Å |
| 115 | L | 90.3 | Very high | 91.3 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -81.1 | -17.8 | 172.1 | -79.5 | 173.7 | 0 | 0 | 0 | 114.3 | K111 V112 E113 P117 E118 I119 L159 Y160 D163 C165 | K111-L115 PolarHBondContact O-N 2.53Å; K111-L115 VanDerWaalsContact O-N 3.11Å; V112-L115 PolarHBondContact O-N 3.11Å; E113-L115 PolarHBondContact O-N 3.21Å; L115-P117 VanDerWaalsContact C-CD 3.42Å; L115-P117 VanDerWaalsContact C-N 3.35Å; L115-E118 WeakPolarHBondContact CD2-OE2 3.44Å; L115-E118 PolarHBondContact O-N 3.43Å; L115-E118 VanDerWaalsContact O-N 3.11Å; L115-I119 HydrophobicContact CB-CD1 4.22Å; L115-I119 WeakPolarHBondContact O-CG1 3.1Å; L115-I119 PolarHBondContact O-N 3.41Å; L115-L159 HydrophobicContact CD2-CD2 4.48Å; L115-Y160 HydrophobicContact CD1-CD1 4.26Å; L115-D163 HydrophobicContact CD1-CB 4.03Å; L115-D163 VanDerWaalsContact CD2-OD2 3.28Å; L115-D163 WeakPolarHBondContact CD2-OD2 3.35Å; L115-C165 WeakPolarHBondContact CD1-SG 3.41Å |
| 116 | Q | 88.6 | Confident | 91.5 | Very high | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55 | -40.4 | -178.4 | -68.7 | -61.7 | -53.4 | 0 | 0 | 114.1 | V112 E113 I119 K120 | V112-Q116 PolarHBondContact O-N 3.08Å; V112-Q116 PolarHBondContact O-NE2 3.11Å; E113-Q116 VanDerWaalsContact O-CB 3.26Å; E113-Q116 WeakPolarHBondContact O-CB 3.38Å; E113-Q116 WeakPolarHBondContact O-CG 3.46Å; E113-Q116 PolarHBondContact O-N 3.25Å; Q116-I119 PolarHBondContact O-N 3.27Å; Q116-K120 WeakPolarHBondContact O-CB 3.26Å; Q116-K120 VanDerWaalsContact O-CG 3.27Å; Q116-K120 WeakPolarHBondContact O-CG 3.41Å; Q116-K120 PolarHBondContact O-N 2.86Å |
| 117 | P | 90.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 58 Ų | 58 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 176 | -22.5 | 34.8 | 0 | 0 | 0 | 113.3 | N114 L115 K120 A121 | N114-P117 VanDerWaalsContact O-CD 3.31Å; N114-P117 WeakPolarHBondContact O-CD 3.45Å; L115-P117 VanDerWaalsContact C-CD 3.42Å; L115-P117 VanDerWaalsContact C-N 3.35Å; P117-K120 PolarHBondContact O-N 3.28Å; P117-A121 PolarHBondContact O-N 2.8Å |
| 118 | E | 92.8 | Very high | 91.8 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 177.3 | -172.4 | -179.1 | 169.4 | 0 | 0 | 110.4 | L115 K120 A121 I122 L159 R162 | L115-E118 WeakPolarHBondContact CD2-OE2 3.44Å; L115-E118 PolarHBondContact O-N 3.43Å; L115-E118 VanDerWaalsContact O-N 3.11Å; E118-K120 VanDerWaalsContact C-N 3.3Å; E118-K120 PolarHBondContact O-N 3Å; E118-A121 PolarHBondContact O-N 3.14Å; E118-A121 VanDerWaalsContact O-N 3.11Å; E118-I122 HydrophobicContact CG-CD1 4.02Å; E118-I122 WeakPolarHBondContact O-CG1 3.31Å; E118-I122 PolarHBondContact O-N 2.99Å; E118-L159 HydrophobicContact CG-CD2 4.14Å; E118-R162 IonicContact OE1-CZ 3.09Å; E118-R162 IonicContact OE1-NH1 3.22Å; E118-R162 PolarHBondContact OE1-NH1 3.12Å; E118-R162 IonicContact OE1-NH2 3.23Å; E118-R162 PolarHBondContact OE1-NH2 3.07Å; E118-R162 IonicContact OE2-CZ 2.79Å; E118-R162 IonicContact OE2-NH1 2.69Å; E118-R162 IonicContact OE2-NH2 3.23Å; E118-R162 PolarHBondContact OE2-NH2 3.2Å |
| 119 | I | 91.4 | Very high | 92 | Very high | 17 Ų | 17 | 64.7 Ų | 64.7 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58 | -43.2 | 175.6 | -65.5 | 168.1 | 0 | 0 | 0 | 110.7 | L115 Q116 A121 I122 A123 I156 L159 Y160 | L115-I119 HydrophobicContact CB-CD1 4.22Å; L115-I119 WeakPolarHBondContact O-CG1 3.1Å; L115-I119 PolarHBondContact O-N 3.41Å; Q116-I119 PolarHBondContact O-N 3.27Å; I119-A121 PolarHBondContact O-N 3.03Å; I119-I122 PolarHBondContact O-N 3.31Å; I119-A123 VanDerWaalsContact O-CB 3.25Å; I119-A123 WeakPolarHBondContact O-CB 3.32Å; I119-A123 PolarHBondContact O-N 3.35Å; I119-I156 HydrophobicContact CG2-CD1 4.05Å; I119-I156 HydrophobicContact CG2-CG1 4.1Å; I119-L159 HydrophobicContact CG1-CD2 3.97Å; I119-Y160 HydrophobicContact CD1-CE1 4.25Å |
| 120 | K | 91.6 | Very high | 92.2 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 60% | 0.596 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.4 | -36.2 | 176.9 | -75.2 | 175.3 | -175.9 | -180 | 0 | 112.7 | Q116 P117 E118 R124 | Q116-K120 WeakPolarHBondContact O-CB 3.26Å; Q116-K120 VanDerWaalsContact O-CG 3.27Å; Q116-K120 WeakPolarHBondContact O-CG 3.41Å; Q116-K120 PolarHBondContact O-N 2.86Å; P117-K120 PolarHBondContact O-N 3.28Å; E118-K120 VanDerWaalsContact C-N 3.3Å; E118-K120 PolarHBondContact O-N 3Å; K120-R124 PolarHBondContact O-N 3.35Å |
| 121 | A | 94.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -49.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P117 E118 I119 A123 R124 H125 | P117-A121 PolarHBondContact O-N 2.8Å; E118-A121 PolarHBondContact O-N 3.14Å; E118-A121 VanDerWaalsContact O-N 3.11Å; I119-A121 PolarHBondContact O-N 3.03Å; A121-A123 VanDerWaalsContact C-N 3.27Å; A121-A123 PolarHBondContact O-N 3.26Å; A121-R124 PolarHBondContact O-N 2.54Å; A121-H125 PolarHBondContact O-CD2 3.17Å; A121-H125 PolarHBondContact O-N 2.98Å |
| 122 | I | 93.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 64.6 Ų | 64.6 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 175.9 | -67.2 | 169.6 | 0 | 0 | 0 | 110.8 | E118 I119 R124 H125 L126 I155 L159 | E118-I122 HydrophobicContact CG-CD1 4.02Å; E118-I122 WeakPolarHBondContact O-CG1 3.31Å; E118-I122 PolarHBondContact O-N 2.99Å; I119-I122 PolarHBondContact O-N 3.31Å; I122-R124 VanDerWaalsContact C-N 3.31Å; I122-R124 PolarHBondContact O-N 2.98Å; I122-H125 PolarHBondContact O-N 3.22Å; I122-L126 WeakPolarHBondContact O-CB 3.32Å; I122-L126 PolarHBondContact O-N 3.21Å; I122-I155 HydrophobicContact CD1-CG2 4.15Å; I122-I155 HydrophobicContact CG2-CD1 4.26Å; I122-I155 HydrophobicContact CG2-CG2 3.87Å; I122-L159 HydrophobicContact CD1-CD1 4.07Å; I122-L159 HydrophobicContact CD1-CD2 3.87Å |
| 123 | A | 93.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I119 A121 N127 M152 | I119-A123 VanDerWaalsContact O-CB 3.25Å; I119-A123 WeakPolarHBondContact O-CB 3.32Å; I119-A123 PolarHBondContact O-N 3.35Å; A121-A123 VanDerWaalsContact C-N 3.27Å; A121-A123 PolarHBondContact O-N 3.26Å; A123-N127 VanDerWaalsContact O-CB 3.29Å; A123-N127 WeakPolarHBondContact O-CB 3.24Å; A123-N127 PolarHBondContact O-N 2.9Å; A123-M152 VanDerWaalsContact CA-CE 3.44Å; A123-M152 HydrophobicContact CB-CE 3.49Å; A123-M152 VanDerWaalsContact CB-CE 3.49Å; A123-M152 HydrophobicContact CB-SD 4.43Å |
| 124 | R | 94.6 | Very high | 92.9 | Very high | 173 Ų | 173 | 67.3 Ų | 67.3 | 65% | 0.653 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.2 | -47.3 | 176.9 | -71.9 | -174.9 | -69.2 | 162.4 | -0.1 | 111.6 | K120 A121 I122 N127 Q128 | K120-R124 PolarHBondContact O-N 3.35Å; A121-R124 PolarHBondContact O-N 2.54Å; I122-R124 VanDerWaalsContact C-N 3.31Å; I122-R124 PolarHBondContact O-N 2.98Å; R124-N127 PolarHBondContact O-N 3.46Å; R124-Q128 WeakPolarHBondContact O-CG 3.47Å; R124-Q128 PolarHBondContact O-N 3.28Å; R124-Q128 VanDerWaalsContact O-N 3.1Å |
| 125 | H | 94.6 | Very high | 93 | Very high | 121 Ų | 121 | 70.2 Ų | 70.2 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 178.1 | -78.3 | -71.5 | 0 | 0 | 0 | 112.3 | A121 I122 N127 Q128 E129 | A121-H125 PolarHBondContact O-CD2 3.17Å; A121-H125 PolarHBondContact O-N 2.98Å; I122-H125 PolarHBondContact O-N 3.22Å; H125-N127 VanDerWaalsContact C-N 3.32Å; H125-N127 PolarHBondContact O-N 2.87Å; H125-Q128 WeakPolarHBondContact O-CB 3.38Å; H125-Q128 PolarHBondContact O-N 2.91Å; H125-E129 PolarHBondContact O-N 3.5Å |
| 126 | L | 94.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 76.9 Ų | 76.9 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 179.2 | -178.5 | 65.6 | 0 | 0 | 0 | 111.8 | I122 E129 V130 Y148 N151 M152 I155 | I122-L126 WeakPolarHBondContact O-CB 3.32Å; I122-L126 PolarHBondContact O-N 3.21Å; L126-E129 PolarHBondContact O-N 2.82Å; L126-V130 HydrophobicContact CD1-CG2 4.18Å; L126-V130 HydrophobicContact CG-CG2 4.35Å; L126-V130 WeakPolarHBondContact O-CB 3.44Å; L126-V130 VanDerWaalsContact O-CG2 3.26Å; L126-V130 WeakPolarHBondContact O-CG2 3.25Å; L126-V130 PolarHBondContact O-N 3.46Å; L126-Y148 HydrophobicContact CB-CE2 4.47Å; L126-Y148 HydrophobicContact CD2-CD2 4.02Å; L126-Y148 HydrophobicContact CD2-CE2 4.18Å; L126-Y148 HydrophobicContact CG-CD2 4.02Å; L126-Y148 HydrophobicContact CG-CE2 4.29Å; L126-N151 HydrophobicContact CD1-CB 3.98Å; L126-N151 HydrophobicContact CD2-CB 3.81Å; L126-N151 HydrophobicContact CG-CB 4.49Å; L126-M152 HydrophobicContact CD2-CB 4.18Å; L126-M152 HydrophobicContact CD2-CE 3.93Å; L126-I155 HydrophobicContact CD2-CD1 4.24Å |
| 127 | N | 93.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 78.9 Ų | 78.9 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 177 | -169.2 | 32.1 | 0 | 0 | 0 | 111.2 | A123 R124 H125 E129 V130 V131 Y148 | A123-N127 VanDerWaalsContact O-CB 3.29Å; A123-N127 WeakPolarHBondContact O-CB 3.24Å; A123-N127 PolarHBondContact O-N 2.9Å; R124-N127 PolarHBondContact O-N 3.46Å; H125-N127 VanDerWaalsContact C-N 3.32Å; H125-N127 PolarHBondContact O-N 2.87Å; N127-E129 PolarHBondContact O-N 3.2Å; N127-V130 PolarHBondContact O-N 3.44Å; N127-V131 WeakPolarHBondContact O-CB 3.48Å; N127-V131 VanDerWaalsContact O-CG2 3.26Å; N127-V131 WeakPolarHBondContact O-CG2 3.22Å; N127-V131 PolarHBondContact O-N 3.36Å; N127-Y148 HydrophobicContact CB-CD2 4.37Å; N127-Y148 HydrophobicContact CB-CE2 3.9Å |
| 128 | Q | 94.8 | Very high | 93.4 | Very high | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.7 | -46.8 | 175.7 | -70.7 | 169.9 | -16.9 | 0 | 0 | 111.8 | R124 H125 V130 V131 V132 | R124-Q128 WeakPolarHBondContact O-CG 3.47Å; R124-Q128 PolarHBondContact O-N 3.28Å; R124-Q128 VanDerWaalsContact O-N 3.1Å; H125-Q128 WeakPolarHBondContact O-CB 3.38Å; H125-Q128 PolarHBondContact O-N 2.91Å; Q128-V130 PolarHBondContact O-N 3.32Å; Q128-V131 PolarHBondContact O-N 3.11Å; Q128-V132 WeakPolarHBondContact O-CG2 3.3Å; Q128-V132 PolarHBondContact O-N 2.79Å |
| 129 | E | 93.5 | Very high | 93.5 | Very high | 93 Ų | 93 | 79.8 Ų | 79.8 | 44% | 0.435 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 177.5 | -73.4 | -177.3 | -163.2 | 0 | 0 | 112.7 | H125 L126 N127 V132 R133 | H125-E129 PolarHBondContact O-N 3.5Å; L126-E129 PolarHBondContact O-N 2.82Å; N127-E129 PolarHBondContact O-N 3.2Å; E129-V132 PolarHBondContact O-N 3.48Å; E129-R133 WeakPolarHBondContact O-CB 3.42Å; E129-R133 WeakPolarHBondContact O-CG 3.37Å; E129-R133 PolarHBondContact O-N 3.11Å; E129-R133 IonicContact OE2-NH2 3.75Å |
| 130 | V | 94.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 82.1 Ų | 82.1 | 3% | 0.03 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 179.5 | 171 | 0 | 0 | 0 | 0 | 111 | L126 N127 Q128 R133 A134 A144 | L126-V130 HydrophobicContact CD1-CG2 4.18Å; L126-V130 HydrophobicContact CG-CG2 4.35Å; L126-V130 WeakPolarHBondContact O-CB 3.44Å; L126-V130 VanDerWaalsContact O-CG2 3.26Å; L126-V130 WeakPolarHBondContact O-CG2 3.25Å; L126-V130 PolarHBondContact O-N 3.46Å; N127-V130 PolarHBondContact O-N 3.44Å; Q128-V130 PolarHBondContact O-N 3.32Å; V130-R133 PolarHBondContact O-N 2.79Å; V130-A134 WeakPolarHBondContact O-CB 3.4Å; V130-A134 PolarHBondContact O-N 3.4Å; V130-A144 HydrophobicContact CG1-CB 4.14Å; V130-A144 WeakPolarHBondContact CG1-O 3.46Å |
| 131 | V | 93.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 84.2 Ų | 84.2 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -46.1 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 111 | N127 Q128 A134 N135 | N127-V131 WeakPolarHBondContact O-CB 3.48Å; N127-V131 VanDerWaalsContact O-CG2 3.26Å; N127-V131 WeakPolarHBondContact O-CG2 3.22Å; N127-V131 PolarHBondContact O-N 3.36Å; Q128-V131 PolarHBondContact O-N 3.11Å; V131-A134 PolarHBondContact O-N 2.82Å; V131-N135 PolarHBondContact O-N 3.32Å |
| 132 | V | 94.8 | Very high | 93.5 | Very high | 77 Ų | 77 | 92.5 Ų | 92.5 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111 | Q128 E129 A134 N135 Q136 | Q128-V132 WeakPolarHBondContact O-CG2 3.3Å; Q128-V132 PolarHBondContact O-N 2.79Å; E129-V132 PolarHBondContact O-N 3.48Å; V132-A134 PolarHBondContact O-N 3.2Å; V132-N135 PolarHBondContact O-N 2.93Å; V132-Q136 WeakPolarHBondContact O-CG 3.27Å; V132-Q136 PolarHBondContact O-N 3.2Å |
| 133 | R | 92.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 93.6 Ų | 93.6 | 46% | 0.46 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 177.4 | -74.6 | -176 | -174.3 | 144.5 | 10.4 | 112.7 | E129 V130 N135 Q136 L137 | E129-R133 WeakPolarHBondContact O-CB 3.42Å; E129-R133 WeakPolarHBondContact O-CG 3.37Å; E129-R133 PolarHBondContact O-N 3.11Å; E129-R133 IonicContact OE2-NH2 3.75Å; V130-R133 PolarHBondContact O-N 2.79Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.44Å; R133-Q136 PolarHBondContact O-N 3.12Å; R133-L137 WeakPolarHBondContact O-CB 3.44Å; R133-L137 WeakPolarHBondContact O-CG 3.31Å; R133-L137 PolarHBondContact O-N 3.12Å |
| 134 | A | 93.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 93.4 Ų | 93.4 | 9% | 0.091 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V130 V131 V132 G138 W139 A144 | V130-A134 WeakPolarHBondContact O-CB 3.4Å; V130-A134 PolarHBondContact O-N 3.4Å; V131-A134 PolarHBondContact O-N 2.82Å; V132-A134 PolarHBondContact O-N 3.2Å; A134-G138 CarbonylContact O-C 3.6Å; A134-G138 WeakPolarHBondContact O-CA 3.47Å; A134-G138 PolarHBondContact O-N 3.42Å; A134-W139 HydrophobicContact CB-CB 4.04Å; A134-W139 HydrophobicContact CB-CE3 4.19Å; A134-W139 PolarHBondContact O-N 3.35Å; A134-A144 HydrophobicContact CB-CB 3.92Å |
| 135 | N | 93.1 | Very high | 93.4 | Very high | 130 Ų | 130 | 93.8 Ų | 93.8 | 70% | 0.695 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 175.9 | -69.9 | -13.7 | 0 | 0 | 0 | 112.3 | V131 V132 R133 | V131-N135 PolarHBondContact O-N 3.32Å; V132-N135 PolarHBondContact O-N 2.93Å; R133-N135 VanDerWaalsContact C-N 3.32Å; R133-N135 PolarHBondContact O-N 3.44Å |
| 136 | Q | 93.6 | Very high | 93.4 | Very high | 147 Ų | 147 | 93.7 Ų | 93.7 | 69% | 0.687 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.4 | -39.4 | 179.6 | -73.8 | 174.2 | -11.2 | 0 | 0 | 113.3 | V132 R133 | V132-Q136 WeakPolarHBondContact O-CG 3.27Å; V132-Q136 PolarHBondContact O-N 3.2Å; R133-Q136 PolarHBondContact O-N 3.12Å |
| 137 | L | 92.3 | Very high | 93.4 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -98.3 | 3.5 | -174.8 | -62.4 | 172.1 | 0 | 0 | 0 | 113.1 | R133 W139 | R133-L137 WeakPolarHBondContact O-CB 3.44Å; R133-L137 WeakPolarHBondContact O-CG 3.31Å; R133-L137 PolarHBondContact O-N 3.12Å; L137-W139 VanDerWaalsContact C-N 3.28Å; L137-W139 HydrophobicContact CB-CG 4.31Å; L137-W139 HydrophobicContact CD1-CZ2 3.58Å; L137-W139 PolarHBondContact O-N 3.29Å |
| 138 | G | 91.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 94 Ų | 94 | 69% | 0.691 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 36 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A134 | A134-G138 CarbonylContact O-C 3.6Å; A134-G138 WeakPolarHBondContact O-CA 3.47Å; A134-G138 PolarHBondContact O-N 3.42Å |
| 139 | W | 93.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 92.5 Ų | 92.5 | 33% | 0.326 | 46% | 0.464 | S | S | . | . | trans | -67.4 | 141.8 | -179.1 | -70.5 | -3.8 | 0 | 0 | 0 | 111.6 | A134 L137 V143 A144 T147 | A134-W139 HydrophobicContact CB-CB 4.04Å; A134-W139 HydrophobicContact CB-CE3 4.19Å; A134-W139 PolarHBondContact O-N 3.35Å; L137-W139 VanDerWaalsContact C-N 3.28Å; L137-W139 HydrophobicContact CB-CG 4.31Å; L137-W139 HydrophobicContact CD1-CZ2 3.58Å; L137-W139 PolarHBondContact O-N 3.29Å; W139-V143 HydrophobicContact CB-CB 4.49Å; W139-V143 HydrophobicContact CB-CG1 4.41Å; W139-V143 HydrophobicContact CD2-CG1 4.15Å; W139-V143 HydrophobicContact CE3-CG1 4.39Å; W139-V143 HydrophobicContact CG-CG1 4.18Å; W139-A144 HydrophobicContact CE3-CB 4.46Å; W139-T147 HydrophobicContact CH2-CG2 4.03Å; W139-T147 HydrophobicContact CZ3-CG2 3.84Å | ||
| 140 | S | 93.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 96 Ų | 96 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | trans | -66.3 | 150.6 | 166.9 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | R142 V143 A144 | S140-R142 PolarHBondContact O-N 3.43Å; S140-R142 VanDerWaalsContact O-N 3.12Å; S140-V143 PolarHBondContact O-N 2.95Å; S140-V143 WeakPolarHBondContact OG-CG2 3.31Å; S140-A144 PolarHBondContact O-N 3.03Å | ||
| 141 | E | 91.2 | Very high | 93.6 | Very high | 181 Ų | 181 | 97.7 Ų | 97.7 | 85% | 0.846 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.5 | -36.2 | 178.9 | -71.1 | -169.2 | 153 | 0 | 0 | 113 | A144 R145 | E141-A144 PolarHBondContact O-N 3.39Å; E141-R145 VanDerWaalsContact O-CB 3.31Å; E141-R145 WeakPolarHBondContact O-CB 3.38Å; E141-R145 PolarHBondContact O-N 3.23Å |
| 142 | R | 93.2 | Very high | 93.7 | Very high | 208 Ų | 208 | 95.3 Ų | 95.3 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.2 | -45.4 | 177.2 | -65.8 | -177.2 | -174.8 | 171.8 | 2.3 | 111.1 | S140 R145 L146 | S140-R142 PolarHBondContact O-N 3.43Å; S140-R142 VanDerWaalsContact O-N 3.12Å; R142-R145 PolarHBondContact O-N 3.13Å; R142-L146 WeakPolarHBondContact O-CB 3.33Å; R142-L146 VanDerWaalsContact O-CG 3.26Å; R142-L146 WeakPolarHBondContact O-CG 3.49Å; R142-L146 PolarHBondContact O-N 2.88Å |
| 143 | V | 93.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 99.6 Ų | 99.6 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | W139 S140 R145 L146 T147 | W139-V143 HydrophobicContact CB-CB 4.49Å; W139-V143 HydrophobicContact CB-CG1 4.41Å; W139-V143 HydrophobicContact CD2-CG1 4.15Å; W139-V143 HydrophobicContact CE3-CG1 4.39Å; W139-V143 HydrophobicContact CG-CG1 4.18Å; S140-V143 PolarHBondContact O-N 2.95Å; S140-V143 WeakPolarHBondContact OG-CG2 3.31Å; V143-R145 PolarHBondContact O-N 2.95Å; V143-L146 PolarHBondContact O-N 3.37Å; V143-T147 VanDerWaalsContact O-CB 3.28Å; V143-T147 WeakPolarHBondContact O-CB 3.3Å; V143-T147 PolarHBondContact O-N 2.9Å; V143-T147 PolarHBondContact O-OG1 2.95Å |
| 144 | A | 93.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 99.5 Ų | 99.5 | 13% | 0.132 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V130 A134 W139 S140 E141 T147 Y148 | V130-A144 HydrophobicContact CG1-CB 4.14Å; V130-A144 WeakPolarHBondContact CG1-O 3.46Å; A134-A144 HydrophobicContact CB-CB 3.92Å; W139-A144 HydrophobicContact CE3-CB 4.46Å; S140-A144 PolarHBondContact O-N 3.03Å; E141-A144 PolarHBondContact O-N 3.39Å; A144-T147 PolarHBondContact O-N 3.36Å; A144-Y148 WeakPolarHBondContact O-CB 3.39Å; A144-Y148 PolarHBondContact O-N 3.19Å |
| 145 | R | 93.6 | Very high | 93.8 | Very high | 182 Ų | 182 | 100.5 Ų | 100.5 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -46.3 | 178 | -174.9 | 177.8 | 178.5 | -171.8 | -0.8 | 112.5 | E141 R142 V143 T147 Y148 L149 | E141-R145 VanDerWaalsContact O-CB 3.31Å; E141-R145 WeakPolarHBondContact O-CB 3.38Å; E141-R145 PolarHBondContact O-N 3.23Å; R142-R145 PolarHBondContact O-N 3.13Å; V143-R145 PolarHBondContact O-N 2.95Å; R145-T147 VanDerWaalsContact C-N 3.29Å; R145-T147 PolarHBondContact O-N 2.69Å; R145-Y148 PolarHBondContact O-N 3.22Å; R145-L149 HydrophobicContact CG-CD1 4.16Å; R145-L149 VanDerWaalsContact O-CG 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.45Å; R145-L149 PolarHBondContact O-N 3.14Å |
| 146 | L | 94.9 | Very high | 93.8 | Very high | 119 Ų | 119 | 96.1 Ų | 96.1 | 62% | 0.623 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | 177.8 | -73.7 | 173.8 | 0 | 0 | 0 | 111.4 | R142 V143 L149 K150 | R142-L146 WeakPolarHBondContact O-CB 3.33Å; R142-L146 VanDerWaalsContact O-CG 3.26Å; R142-L146 WeakPolarHBondContact O-CG 3.49Å; R142-L146 PolarHBondContact O-N 2.88Å; V143-L146 PolarHBondContact O-N 3.37Å; L146-L149 PolarHBondContact O-N 3.43Å; L146-K150 VanDerWaalsContact O-CB 3.27Å; L146-K150 WeakPolarHBondContact O-CB 3.37Å; L146-K150 PolarHBondContact O-N 2.88Å |
| 147 | T | 94.3 | Very high | 93.7 | Very high | 37 Ų | 37 | 91.7 Ų | 91.7 | 23% | 0.227 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | W139 V143 A144 R145 K150 N151 | W139-T147 HydrophobicContact CH2-CG2 4.03Å; W139-T147 HydrophobicContact CZ3-CG2 3.84Å; V143-T147 VanDerWaalsContact O-CB 3.28Å; V143-T147 WeakPolarHBondContact O-CB 3.3Å; V143-T147 PolarHBondContact O-N 2.9Å; V143-T147 PolarHBondContact O-OG1 2.95Å; A144-T147 PolarHBondContact O-N 3.36Å; R145-T147 VanDerWaalsContact C-N 3.29Å; R145-T147 PolarHBondContact O-N 2.69Å; T147-K150 PolarHBondContact O-N 2.6Å; T147-N151 WeakPolarHBondContact CG2-ND2 3.47Å; T147-N151 WeakPolarHBondContact O-CB 3.18Å; T147-N151 PolarHBondContact O-N 2.78Å; T147-N151 PolarHBondContact O-ND2 2.68Å |
| 148 | Y | 94.9 | Very high | 93.9 | Very high | 61 Ų | 61 | 91.1 Ų | 91.1 | 24% | 0.239 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -58.2 | -51.8 | 172.8 | 172.7 | -98.4 | 0 | 0 | 0 | 111.3 | L126 N127 A144 R145 K150 N151 M152 | L126-Y148 HydrophobicContact CB-CE2 4.47Å; L126-Y148 HydrophobicContact CD2-CD2 4.02Å; L126-Y148 HydrophobicContact CD2-CE2 4.18Å; L126-Y148 HydrophobicContact CG-CD2 4.02Å; L126-Y148 HydrophobicContact CG-CE2 4.29Å; N127-Y148 HydrophobicContact CB-CD2 4.37Å; N127-Y148 HydrophobicContact CB-CE2 3.9Å; A144-Y148 WeakPolarHBondContact O-CB 3.39Å; A144-Y148 PolarHBondContact O-N 3.19Å; R145-Y148 PolarHBondContact O-N 3.22Å; Y148-K150 PolarHBondContact O-N 3.07Å; Y148-N151 PolarHBondContact O-N 3Å; Y148-M152 HydrophobicContact CE1-CE 4.26Å; Y148-M152 HydrophobicContact CE2-CE 3.58Å; Y148-M152 VanDerWaalsContact CZ-CE 3.42Å; Y148-M152 WeakPolarHBondContact O-CB 3.31Å; Y148-M152 PolarHBondContact O-N 3.32Å; Y148-M152 WeakPolarHBondContact OH-CE 3.35Å |
| 149 | L | 94.4 | Very high | 93.9 | Very high | 89 Ų | 89 | 88.6 Ų | 88.6 | 47% | 0.466 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | -179.1 | -69.6 | 174.6 | 0 | 0 | 0 | 112.4 | R145 L146 K153 | R145-L149 HydrophobicContact CG-CD1 4.16Å; R145-L149 VanDerWaalsContact O-CG 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.45Å; R145-L149 PolarHBondContact O-N 3.14Å; L146-L149 PolarHBondContact O-N 3.43Å; L149-K153 WeakPolarHBondContact O-CB 3.38Å; L149-K153 PolarHBondContact O-N 3.42Å |
| 150 | K | 95.8 | Very high | 93.8 | Very high | 166 Ų | 166 | 86 Ų | 86 | 72% | 0.722 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.1 | -47 | 178.1 | -172.8 | 178.6 | -179.9 | -179.3 | 0 | 111.7 | L146 T147 Y148 R154 | L146-K150 VanDerWaalsContact O-CB 3.27Å; L146-K150 WeakPolarHBondContact O-CB 3.37Å; L146-K150 PolarHBondContact O-N 2.88Å; T147-K150 PolarHBondContact O-N 2.6Å; Y148-K150 PolarHBondContact O-N 3.07Å; K150-R154 PolarHBondContact O-N 2.91Å; K150-R154 VanDerWaalsContact O-N 3.1Å |
| 151 | N | 95.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 87.9 Ų | 87.9 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.5 | -78.1 | -59.2 | 0 | 0 | 0 | 111.7 | L126 T147 Y148 K153 R154 I155 | L126-N151 HydrophobicContact CD1-CB 3.98Å; L126-N151 HydrophobicContact CD2-CB 3.81Å; L126-N151 HydrophobicContact CG-CB 4.49Å; T147-N151 WeakPolarHBondContact CG2-ND2 3.47Å; T147-N151 WeakPolarHBondContact O-CB 3.18Å; T147-N151 PolarHBondContact O-N 2.78Å; T147-N151 PolarHBondContact O-ND2 2.68Å; Y148-N151 PolarHBondContact O-N 3Å; N151-K153 PolarHBondContact O-N 3.04Å; N151-R154 PolarHBondContact O-N 2.89Å; N151-I155 VanDerWaalsContact O-CG1 3.31Å; N151-I155 WeakPolarHBondContact O-CG1 3.49Å; N151-I155 PolarHBondContact O-N 3.47Å |
| 152 | M | 94.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 85.8 Ų | 85.8 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 176.3 | -174.6 | 60.7 | 69.9 | 0 | 0 | 111.4 | A123 L126 Y148 R154 I155 I156 | A123-M152 VanDerWaalsContact CA-CE 3.44Å; A123-M152 HydrophobicContact CB-CE 3.49Å; A123-M152 VanDerWaalsContact CB-CE 3.49Å; A123-M152 HydrophobicContact CB-SD 4.43Å; L126-M152 HydrophobicContact CD2-CB 4.18Å; L126-M152 HydrophobicContact CD2-CE 3.93Å; Y148-M152 HydrophobicContact CE1-CE 4.26Å; Y148-M152 HydrophobicContact CE2-CE 3.58Å; Y148-M152 VanDerWaalsContact CZ-CE 3.42Å; Y148-M152 WeakPolarHBondContact O-CB 3.31Å; Y148-M152 PolarHBondContact O-N 3.32Å; Y148-M152 WeakPolarHBondContact OH-CE 3.35Å; M152-R154 VanDerWaalsContact C-N 3.31Å; M152-R154 PolarHBondContact O-N 2.68Å; M152-I155 PolarHBondContact O-N 2.98Å; M152-I156 HydrophobicContact CG-CD1 3.71Å; M152-I156 HydrophobicContact CG-CG1 4.39Å; M152-I156 WeakPolarHBondContact O-CB 3.37Å; M152-I156 VanDerWaalsContact O-CG1 3.3Å; M152-I156 WeakPolarHBondContact O-CG1 3.25Å; M152-I156 PolarHBondContact O-N 3.26Å; M152-I156 HydrophobicContact SD-CD1 3.79Å; M152-I156 HydrophobicContact SD-CG1 4.09Å |
| 153 | K | 93.4 | Very high | 93.7 | Very high | 167 Ų | 167 | 78.4 Ų | 78.4 | 73% | 0.726 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 178.2 | -174 | -178.5 | 179.3 | -177.8 | 0 | 111.6 | L149 N151 S157 | L149-K153 WeakPolarHBondContact O-CB 3.38Å; L149-K153 PolarHBondContact O-N 3.42Å; N151-K153 PolarHBondContact O-N 3.04Å; K153-S157 WeakPolarHBondContact O-CB 3.32Å; K153-S157 PolarHBondContact O-N 3.14Å |
| 154 | R | 95.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 79.9 Ų | 79.9 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -51.9 | 177.8 | -175.6 | -179.9 | 67.2 | 82.9 | -0.9 | 111.4 | K150 N151 M152 S157 E158 | K150-R154 PolarHBondContact O-N 2.91Å; K150-R154 VanDerWaalsContact O-N 3.1Å; N151-R154 PolarHBondContact O-N 2.89Å; M152-R154 VanDerWaalsContact C-N 3.31Å; M152-R154 PolarHBondContact O-N 2.68Å; R154-S157 WeakPolarHBondContact O-CB 3.36Å; R154-S157 PolarHBondContact O-N 2.87Å; R154-E158 WeakPolarHBondContact CG-OE1 3.44Å; R154-E158 IonicContact CZ-OE1 3.73Å; R154-E158 IonicContact NH1-OE1 2.66Å; R154-E158 PolarHBondContact NH1-OE1 3Å; R154-E158 IonicContact NH1-OE2 2.6Å; R154-E158 PolarHBondContact NH1-OE2 3.36Å; R154-E158 WeakPolarHBondContact O-CG 3.39Å; R154-E158 PolarHBondContact O-N 3.39Å |
| 155 | I | 94.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 79.1 Ų | 79.1 | 16% | 0.159 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | -177.3 | -63.8 | 163.2 | 0 | 0 | 0 | 111 | I122 L126 N151 M152 S157 E158 L159 | I122-I155 HydrophobicContact CD1-CG2 4.15Å; I122-I155 HydrophobicContact CG2-CD1 4.26Å; I122-I155 HydrophobicContact CG2-CG2 3.87Å; L126-I155 HydrophobicContact CD2-CD1 4.24Å; N151-I155 VanDerWaalsContact O-CG1 3.31Å; N151-I155 WeakPolarHBondContact O-CG1 3.49Å; N151-I155 PolarHBondContact O-N 3.47Å; M152-I155 PolarHBondContact O-N 2.98Å; I155-S157 VanDerWaalsContact C-N 3.28Å; I155-S157 PolarHBondContact O-N 2.95Å; I155-E158 WeakPolarHBondContact O-CB 3.34Å; I155-E158 PolarHBondContact O-N 3.4Å; I155-E158 VanDerWaalsContact O-N 3.13Å; I155-L159 HydrophobicContact CG2-CD1 3.74Å; I155-L159 VanDerWaalsContact O-CD1 3.25Å; I155-L159 WeakPolarHBondContact O-CD1 3.42Å; I155-L159 PolarHBondContact O-N 3.48Å |
| 156 | I | 93.2 | Very high | 93.3 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.2 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.5 | -70.1 | 173.7 | 0 | 0 | 0 | 110.8 | I119 M152 E158 L159 Y160 | I119-I156 HydrophobicContact CG2-CD1 4.05Å; I119-I156 HydrophobicContact CG2-CG1 4.1Å; M152-I156 HydrophobicContact CG-CD1 3.71Å; M152-I156 HydrophobicContact CG-CG1 4.39Å; M152-I156 WeakPolarHBondContact O-CB 3.37Å; M152-I156 VanDerWaalsContact O-CG1 3.3Å; M152-I156 WeakPolarHBondContact O-CG1 3.25Å; M152-I156 PolarHBondContact O-N 3.26Å; M152-I156 HydrophobicContact SD-CD1 3.79Å; M152-I156 HydrophobicContact SD-CG1 4.09Å; I156-E158 VanDerWaalsContact C-N 3.33Å; I156-E158 PolarHBondContact O-N 3.17Å; I156-L159 PolarHBondContact O-N 3.47Å; I156-Y160 HydrophobicContact CG2-CD2 3.81Å; I156-Y160 HydrophobicContact CG2-CE1 4.14Å; I156-Y160 HydrophobicContact CG2-CE2 3.3Å; I156-Y160 HydrophobicContact CG2-CG 4.41Å; I156-Y160 VanDerWaalsContact CG2-CZ 3.48Å; I156-Y160 PolarHBondContact O-N 2.99Å |
| 157 | S | 93.1 | Very high | 92.7 | Very high | 54 Ų | 54 | 71.1 Ų | 71.1 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.4 | -169.3 | 0 | 0 | 0 | 0 | 111.9 | K153 R154 I155 Y160 V161 | K153-S157 WeakPolarHBondContact O-CB 3.32Å; K153-S157 PolarHBondContact O-N 3.14Å; R154-S157 WeakPolarHBondContact O-CB 3.36Å; R154-S157 PolarHBondContact O-N 2.87Å; I155-S157 VanDerWaalsContact C-N 3.28Å; I155-S157 PolarHBondContact O-N 2.95Å; S157-Y160 PolarHBondContact O-N 2.76Å; S157-V161 VanDerWaalsContact O-CG2 3.3Å; S157-V161 WeakPolarHBondContact O-CG2 3.32Å; S157-V161 PolarHBondContact O-N 3.45Å |
| 158 | E | 94.4 | Very high | 92.5 | Very high | 97 Ų | 97 | 75.3 Ų | 75.3 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.3 | -73.1 | 167.9 | -169.7 | 0 | 0 | 111.5 | R154 I155 I156 V161 R162 | R154-E158 WeakPolarHBondContact CG-OE1 3.44Å; R154-E158 IonicContact CZ-OE1 3.73Å; R154-E158 IonicContact NH1-OE1 2.66Å; R154-E158 PolarHBondContact NH1-OE1 3Å; R154-E158 IonicContact NH1-OE2 2.6Å; R154-E158 PolarHBondContact NH1-OE2 3.36Å; R154-E158 WeakPolarHBondContact O-CG 3.39Å; R154-E158 PolarHBondContact O-N 3.39Å; I155-E158 WeakPolarHBondContact O-CB 3.34Å; I155-E158 PolarHBondContact O-N 3.4Å; I155-E158 VanDerWaalsContact O-N 3.13Å; I156-E158 VanDerWaalsContact C-N 3.33Å; I156-E158 PolarHBondContact O-N 3.17Å; E158-V161 PolarHBondContact O-N 3.45Å; E158-R162 WeakPolarHBondContact O-CB 3.28Å; E158-R162 PolarHBondContact O-N 3.47Å |
| 159 | L | 92.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 75.8 Ų | 75.8 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 174 | -93.7 | 69.9 | 0 | 0 | 0 | 111.8 | L115 E118 I119 I122 I155 I156 V161 R162 D163 | L115-L159 HydrophobicContact CD2-CD2 4.48Å; E118-L159 HydrophobicContact CG-CD2 4.14Å; I119-L159 HydrophobicContact CG1-CD2 3.97Å; I122-L159 HydrophobicContact CD1-CD1 4.07Å; I122-L159 HydrophobicContact CD1-CD2 3.87Å; I155-L159 HydrophobicContact CG2-CD1 3.74Å; I155-L159 VanDerWaalsContact O-CD1 3.25Å; I155-L159 WeakPolarHBondContact O-CD1 3.42Å; I155-L159 PolarHBondContact O-N 3.48Å; I156-L159 PolarHBondContact O-N 3.47Å; L159-V161 VanDerWaalsContact C-N 3.29Å; L159-V161 PolarHBondContact O-N 3.5Å; L159-R162 WeakPolarHBondContact O-CB 3.49Å; L159-R162 PolarHBondContact O-N 3.31Å; L159-D163 PolarHBondContact O-N 2.96Å |
| 160 | Y | 92.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 13% | 0.129 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -32.4 | 177.6 | -69.6 | -19.5 | 0 | 0 | 0 | 113.2 | V112 L115 I119 I156 S157 N164 C165 P167 | V112-Y160 HydrophobicContact CG1-CE1 4.26Å; V112-Y160 HydrophobicContact CG2-CE1 4.26Å; L115-Y160 HydrophobicContact CD1-CD1 4.26Å; I119-Y160 HydrophobicContact CD1-CE1 4.25Å; I156-Y160 HydrophobicContact CG2-CD2 3.81Å; I156-Y160 HydrophobicContact CG2-CE1 4.14Å; I156-Y160 HydrophobicContact CG2-CE2 3.3Å; I156-Y160 HydrophobicContact CG2-CG 4.41Å; I156-Y160 VanDerWaalsContact CG2-CZ 3.48Å; I156-Y160 PolarHBondContact O-N 2.99Å; S157-Y160 PolarHBondContact O-N 2.76Å; Y160-N164 CarbonylContact O-C 3.6Å; Y160-N164 WeakPolarHBondContact O-CA 3.18Å; Y160-N164 PolarHBondContact O-N 2.91Å; Y160-C165 PolarHBondContact O-N 3.47Å; Y160-P167 HydrophobicContact CD2-CG 4.31Å; Y160-P167 HydrophobicContact CE2-CG 3.91Å |
| 161 | V | 93.1 | Very high | 91.6 | Very high | 105 Ų | 105 | 66.8 Ų | 66.8 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.5 | -45.2 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | S157 E158 L159 D163 N164 | S157-V161 VanDerWaalsContact O-CG2 3.3Å; S157-V161 WeakPolarHBondContact O-CG2 3.32Å; S157-V161 PolarHBondContact O-N 3.45Å; E158-V161 PolarHBondContact O-N 3.45Å; L159-V161 VanDerWaalsContact C-N 3.29Å; L159-V161 PolarHBondContact O-N 3.5Å; V161-D163 VanDerWaalsContact C-N 3.29Å; V161-D163 PolarHBondContact O-N 3.45Å; V161-N164 PolarHBondContact O-N 3.24Å |
| 162 | R | 92.8 | Very high | 91.4 | Very high | 137 Ų | 137 | 67.4 Ų | 67.4 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -53 | -46.7 | 176.9 | -173.3 | -170.1 | 73.8 | -170.1 | 0.8 | 111.6 | E118 E158 L159 | E118-R162 IonicContact OE1-CZ 3.09Å; E118-R162 IonicContact OE1-NH1 3.22Å; E118-R162 PolarHBondContact OE1-NH1 3.12Å; E118-R162 IonicContact OE1-NH2 3.23Å; E118-R162 PolarHBondContact OE1-NH2 3.07Å; E118-R162 IonicContact OE2-CZ 2.79Å; E118-R162 IonicContact OE2-NH1 2.69Å; E118-R162 IonicContact OE2-NH2 3.23Å; E118-R162 PolarHBondContact OE2-NH2 3.2Å; E158-R162 WeakPolarHBondContact O-CB 3.28Å; E158-R162 PolarHBondContact O-N 3.47Å; L159-R162 WeakPolarHBondContact O-CB 3.49Å; L159-R162 PolarHBondContact O-N 3.31Å |
| 163 | D | 89.6 | Confident | 91.2 | Very high | 53 Ų | 53 | 67.7 Ų | 67.7 | 28% | 0.283 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.7 | -174.5 | -71.6 | 25.6 | 0 | 0 | 0 | 113.4 | K111 L115 L159 V161 C165 | K111-D163 PolarHBondContact NZ-O 2.89Å; L115-D163 HydrophobicContact CD1-CB 4.03Å; L115-D163 VanDerWaalsContact CD2-OD2 3.28Å; L115-D163 WeakPolarHBondContact CD2-OD2 3.35Å; L159-D163 PolarHBondContact O-N 2.96Å; V161-D163 VanDerWaalsContact C-N 3.29Å; V161-D163 PolarHBondContact O-N 3.45Å; D163-C165 VanDerWaalsContact C-N 3.27Å; D163-C165 PolarHBondContact O-N 2.9Å |
| 164 | N | 91.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 63.2 Ų | 63.2 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 40.1 | 179.2 | -154.2 | -50.4 | 0 | 0 | 0 | 113.1 | Y160 V161 K169 | Y160-N164 CarbonylContact O-C 3.6Å; Y160-N164 WeakPolarHBondContact O-CA 3.18Å; Y160-N164 PolarHBondContact O-N 2.91Å; V161-N164 PolarHBondContact O-N 3.24Å; N164-K169 PolarHBondContact OD1-NZ 3.32Å |
| 165 | C | 90.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -120.5 | 29.4 | -171.5 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | K111 V112 L115 Y160 D163 | K111-C165 HydrophobicContact CB-CB 3.65Å; K111-C165 HydrophobicContact CD-CB 3.97Å; K111-C165 HydrophobicContact CG-CB 4.49Å; V112-C165 HydrophobicContact CG2-CB 4.22Å; V112-C165 WeakPolarHBondContact CG2-O 3.5Å; L115-C165 WeakPolarHBondContact CD1-SG 3.41Å; Y160-C165 PolarHBondContact O-N 3.47Å; D163-C165 VanDerWaalsContact C-N 3.27Å; D163-C165 PolarHBondContact O-N 2.9Å | ||
| 166 | H | 89.3 | Confident | 90.8 | Very high | 79 Ų | 79 | 67.5 Ų | 67.5 | 37% | 0.366 | 34% | 0.338 | S | S | . | . | trans | -54.1 | 126.7 | -177.1 | -166.7 | -85.1 | 0 | 0 | 0 | 111.7 | F168 K169 | H166-F168 WeakPolarHBondContact ND1-CB 3.44Å; H166-F168 PolarHBondContact ND1-N 3.25Å; H166-F168 PolarHBondContact O-N 3.42Å; H166-K169 WeakPolarHBondContact O-CB 3.39Å; H166-K169 PolarHBondContact O-N 2.98Å | ||
| 167 | P | 84.1 | Confident | 90.7 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -23.1 | -171.2 | 22.7 | -34.4 | 0 | 0 | 0 | 113.5 | Y160 K169 A170 | Y160-P167 HydrophobicContact CD2-CG 4.31Å; Y160-P167 HydrophobicContact CE2-CG 3.91Å; P167-K169 PolarHBondContact O-N 3.03Å; P167-A170 WeakPolarHBondContact O-CB 3.4Å; P167-A170 PolarHBondContact O-N 3.03Å |
| 168 | F | 88.9 | Confident | 90.7 | Very high | 126 Ų | 126 | 68.8 Ų | 68.8 | 55% | 0.553 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.3 | -32.1 | 173.1 | -170.1 | -109.5 | 0 | 0 | 0 | 112.9 | H166 A170 T171 | H166-F168 WeakPolarHBondContact ND1-CB 3.44Å; H166-F168 PolarHBondContact ND1-N 3.25Å; H166-F168 PolarHBondContact O-N 3.42Å; F168-A170 PolarHBondContact O-N 3.35Å; F168-T171 WeakPolarHBondContact O-CB 3.48Å; F168-T171 PolarHBondContact O-N 3.18Å; F168-T171 PolarHBondContact O-OG1 3.4Å |
| 169 | K | 88.9 | Confident | 90.6 | Very high | 71 Ų | 71 | 66.5 Ų | 66.5 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -32.3 | 176.3 | -61.6 | -171 | 177.5 | -164.4 | 0 | 112.2 | Y104 I108 N164 H166 P167 T171 V172 | Y104-K169 HydrophobicContact CE1-CB 4.08Å; Y104-K169 WeakPolarHBondContact OH-CD 3.39Å; I108-K169 HydrophobicContact CG1-CB 4.27Å; I108-K169 HydrophobicContact CG2-CB 4.5Å; N164-K169 PolarHBondContact OD1-NZ 3.32Å; H166-K169 WeakPolarHBondContact O-CB 3.39Å; H166-K169 PolarHBondContact O-N 2.98Å; P167-K169 PolarHBondContact O-N 3.03Å; K169-T171 VanDerWaalsContact C-N 3.25Å; K169-T171 PolarHBondContact O-N 3.42Å; K169-V172 WeakPolarHBondContact O-CB 3.2Å; K169-V172 WeakPolarHBondContact O-CG2 3.48Å; K169-V172 PolarHBondContact O-N 3.17Å |
| 170 | A | 88 | Confident | 90.6 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 13% | 0.132 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.3 | -22.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q105 I108 P167 F168 V172 | Q105-A170 HydrophobicContact CG-CB 4.05Å; Q105-A170 WeakPolarHBondContact CG-O 3.47Å; Q105-A170 PolarHBondContact OE1-O 3.13Å; I108-A170 HydrophobicContact CB-CB 4.33Å; I108-A170 HydrophobicContact CG2-CB 4.14Å; P167-A170 WeakPolarHBondContact O-CB 3.4Å; P167-A170 PolarHBondContact O-N 3.03Å; F168-A170 PolarHBondContact O-N 3.35Å; A170-V172 VanDerWaalsContact C-N 3.31Å |
| 171 | T | 89.3 | Confident | 90.7 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -79.7 | -12 | 177.9 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | F168 K169 L173 V174 W175 | F168-T171 WeakPolarHBondContact O-CB 3.48Å; F168-T171 PolarHBondContact O-N 3.18Å; F168-T171 PolarHBondContact O-OG1 3.4Å; K169-T171 VanDerWaalsContact C-N 3.25Å; K169-T171 PolarHBondContact O-N 3.42Å; T171-L173 PolarHBondContact O-N 3.37Å; T171-V174 WeakPolarHBondContact O-CB 3.25Å; T171-V174 PolarHBondContact O-N 2.93Å; T171-W175 PolarHBondContact O-N 3.33Å; T171-W175 PolarHBondContact OG1-NE1 2.65Å |
| 172 | V | 90.8 | Very high | 90.7 | Very high | 56 Ų | 56 | 66.9 Ų | 66.9 | 34% | 0.339 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.7 | -36.8 | -178.9 | 171.4 | 0 | 0 | 0 | 0 | 112 | K169 A170 V174 W175 I176 | K169-V172 WeakPolarHBondContact O-CB 3.2Å; K169-V172 WeakPolarHBondContact O-CG2 3.48Å; K169-V172 PolarHBondContact O-N 3.17Å; A170-V172 VanDerWaalsContact C-N 3.31Å; V172-V174 VanDerWaalsContact C-N 3.31Å; V172-V174 PolarHBondContact O-N 3.04Å; V172-W175 PolarHBondContact O-N 2.86Å; V172-I176 HydrophobicContact CG1-CD1 3.78Å; V172-I176 PolarHBondContact O-N 3.28Å; V172-I176 VanDerWaalsContact O-N 3.14Å |
| 173 | L | 90.1 | Very high | 90.8 | Very high | 26 Ų | 26 | 62.9 Ų | 62.9 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 175.8 | 179.4 | 66.4 | 0 | 0 | 0 | 111.3 | L101 A102 Q105 T171 W175 I176 Q177 | L101-L173 HydrophobicContact CB-CD1 3.69Å; L101-L173 HydrophobicContact CD2-CD1 4.48Å; A102-L173 HydrophobicContact CB-CD2 3.94Å; Q105-L173 VanDerWaalsContact OE1-CB 3.25Å; T171-L173 PolarHBondContact O-N 3.37Å; L173-W175 VanDerWaalsContact C-N 3.34Å; L173-W175 PolarHBondContact O-N 3.28Å; L173-I176 PolarHBondContact O-N 2.98Å; L173-Q177 WeakPolarHBondContact O-CB 3.37Å; L173-Q177 PolarHBondContact O-N 3.31Å |
| 174 | V | 90.8 | Very high | 91 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | -179.3 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | T171 V172 I176 Q177 L178 | T171-V174 WeakPolarHBondContact O-CB 3.25Å; T171-V174 PolarHBondContact O-N 2.93Å; V172-V174 VanDerWaalsContact C-N 3.31Å; V172-V174 PolarHBondContact O-N 3.04Å; V174-I176 VanDerWaalsContact C-N 3.27Å; V174-I176 PolarHBondContact O-N 3.4Å; V174-Q177 PolarHBondContact O-N 3.3Å; V174-L178 HydrophobicContact CG1-CD1 3.56Å; V174-L178 HydrophobicContact CG1-CG 4.07Å; V174-L178 WeakPolarHBondContact O-CB 3.43Å; V174-L178 WeakPolarHBondContact O-CG 3.41Å; V174-L178 PolarHBondContact O-N 2.91Å |
| 175 | W | 91.6 | Very high | 91.1 | Very high | 173 Ų | 173 | 56.9 Ų | 56.9 | 66% | 0.655 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67 | -25 | 180 | -68.3 | 112.3 | 0 | 0 | 0 | 114.1 | T171 V172 L173 P179 | T171-W175 PolarHBondContact O-N 3.33Å; T171-W175 PolarHBondContact OG1-NE1 2.65Å; V172-W175 PolarHBondContact O-N 2.86Å; L173-W175 VanDerWaalsContact C-N 3.34Å; L173-W175 PolarHBondContact O-N 3.28Å; W175-P179 WeakPolarHBondContact O-CD 3.26Å; W175-P179 WeakPolarHBondContact O-CG 3.39Å |
| 176 | I | 92.1 | Very high | 91.2 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -93.6 | -39.9 | 176.7 | -69.8 | 169.9 | 0 | 0 | 0 | 110.5 | V97 L101 V172 L173 V174 M180 | V97-I176 HydrophobicContact CG1-CG2 4.21Å; L101-I176 HydrophobicContact CD2-CB 4.11Å; L101-I176 HydrophobicContact CD2-CD1 3.43Å; L101-I176 VanDerWaalsContact CD2-CD1 3.43Å; L101-I176 HydrophobicContact CD2-CG1 4.33Å; L101-I176 HydrophobicContact CD2-CG2 4.11Å; V172-I176 HydrophobicContact CG1-CD1 3.78Å; V172-I176 PolarHBondContact O-N 3.28Å; V172-I176 VanDerWaalsContact O-N 3.14Å; L173-I176 PolarHBondContact O-N 2.98Å; V174-I176 VanDerWaalsContact C-N 3.27Å; V174-I176 PolarHBondContact O-N 3.4Å; I176-M180 HydrophobicContact CG2-CE 4.16Å; I176-M180 WeakPolarHBondContact O-CB 3.3Å; I176-M180 PolarHBondContact O-N 2.85Å |
| 177 | Q | 91.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 54.5 Ų | 54.5 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -44.1 | -176.8 | -177.9 | 60.3 | 65.3 | 0 | 0 | 112.9 | L173 V174 W181 | L173-Q177 WeakPolarHBondContact O-CB 3.37Å; L173-Q177 PolarHBondContact O-N 3.31Å; V174-Q177 PolarHBondContact O-N 3.3Å; Q177-W181 VanDerWaalsContact O-CB 3.23Å; Q177-W181 WeakPolarHBondContact O-CB 3.3Å; Q177-W181 PolarHBondContact O-N 3.44Å |
| 178 | L | 92.4 | Very high | 91.8 | Very high | 98 Ų | 98 | 52 Ų | 52 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -51 | -176 | -70.7 | 176.2 | 0 | 0 | 0 | 112 | V174 M180 W181 I182 | V174-L178 HydrophobicContact CG1-CD1 3.56Å; V174-L178 HydrophobicContact CG1-CG 4.07Å; V174-L178 WeakPolarHBondContact O-CB 3.43Å; V174-L178 WeakPolarHBondContact O-CG 3.41Å; V174-L178 PolarHBondContact O-N 2.91Å; L178-M180 PolarHBondContact O-N 3.34Å; L178-W181 PolarHBondContact O-N 3.26Å; L178-I182 VanDerWaalsContact O-CG1 3.32Å; L178-I182 WeakPolarHBondContact O-CG1 3.09Å; L178-I182 PolarHBondContact O-N 3.39Å |
| 179 | P | 93.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 31% | 0.312 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 177.1 | -24.7 | 37 | 0 | 0 | 0 | 112.5 | W175 W181 I182 F183 | W175-P179 WeakPolarHBondContact O-CD 3.26Å; W175-P179 WeakPolarHBondContact O-CG 3.39Å; P179-W181 VanDerWaalsContact C-N 3.3Å; P179-W181 PolarHBondContact O-N 3.47Å; P179-I182 PolarHBondContact O-N 2.95Å; P179-F183 HydrophobicContact CB-CD2 4.28Å; P179-F183 HydrophobicContact CB-CE2 3.73Å; P179-F183 HydrophobicContact CB-CZ 4.23Å; P179-F183 WeakPolarHBondContact O-CD2 3.02Å; P179-F183 WeakPolarHBondContact O-CG 3.47Å; P179-F183 PolarHBondContact O-N 3.18Å |
| 180 | M | 92.7 | Very high | 92 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 175.3 | 178 | -164 | -70.6 | 0 | 0 | 111.6 | L93 V97 T98 I176 L178 F183 M184 | L93-M180 HydrophobicContact CD1-CE 3.96Å; L93-M180 HydrophobicContact CD1-SD 4.08Å; L93-M180 HydrophobicContact CD2-CE 4.45Å; L93-M180 HydrophobicContact CD2-CG 3.72Å; L93-M180 HydrophobicContact CD2-SD 3.53Å; L93-M180 VanDerWaalsContact CD2-SD 3.53Å; L93-M180 HydrophobicContact CG-CE 4.1Å; L93-M180 HydrophobicContact CG-CG 4.37Å; L93-M180 HydrophobicContact CG-SD 3.58Å; L93-M180 VanDerWaalsContact CG-SD 3.58Å; V97-M180 HydrophobicContact CB-CE 3.97Å; V97-M180 HydrophobicContact CG1-CE 3.67Å; V97-M180 HydrophobicContact CG2-CE 4.38Å; T98-M180 HydrophobicContact CG2-CE 4.19Å; T98-M180 HydrophobicContact CG2-SD 4.05Å; I176-M180 HydrophobicContact CG2-CE 4.16Å; I176-M180 WeakPolarHBondContact O-CB 3.3Å; I176-M180 PolarHBondContact O-N 2.85Å; L178-M180 PolarHBondContact O-N 3.34Å; M180-F183 PolarHBondContact O-N 3.47Å; M180-M184 WeakPolarHBondContact O-CB 3.38Å; M180-M184 VanDerWaalsContact O-CG 3.27Å; M180-M184 WeakPolarHBondContact O-CG 3.45Å; M180-M184 PolarHBondContact O-N 2.76Å |
| 181 | W | 93.6 | Very high | 92.1 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 178.2 | 179.4 | 85.6 | 0 | 0 | 0 | 112.4 | Q177 L178 P179 S185 Y282 W283 | Q177-W181 VanDerWaalsContact O-CB 3.23Å; Q177-W181 WeakPolarHBondContact O-CB 3.3Å; Q177-W181 PolarHBondContact O-N 3.44Å; L178-W181 PolarHBondContact O-N 3.26Å; P179-W181 VanDerWaalsContact C-N 3.3Å; P179-W181 PolarHBondContact O-N 3.47Å; W181-S185 WeakPolarHBondContact O-CB 3.44Å; W181-S185 PolarHBondContact O-N 3.33Å; W181-S185 VanDerWaalsContact O-N 3.12Å; W181-S185 PolarHBondContact O-OG 3.42Å; W181-Y282 WeakPolarHBondContact CA-OH 3.44Å; W181-Y282 AromaticContact CD1-CE1 3.55Å; W181-Y282 AromaticContact CD1-CZ 3.92Å; W181-Y282 HydrophobicContact CG-CE1 4.26Å; W181-Y282 AromaticContact NE1-CE1 3.9Å; W181-W283 AromaticContact CE2-CD1 3.53Å; W181-W283 AromaticContact CE2-CE2 3.97Å; W181-W283 AromaticContact CE2-NE1 3.38Å; W181-W283 AromaticContact CH2-CE2 3.86Å; W181-W283 HydrophobicContact CH2-CH2 4.48Å; W181-W283 AromaticContact CH2-CZ2 3.8Å; W181-W283 HydrophobicContact CH2-CZ2 3.8Å; W181-W283 AromaticContact CH2-NE1 4Å; W181-W283 AromaticContact CZ2-CD1 3.6Å; W181-W283 AromaticContact CZ2-CD2 3.75Å; W181-W283 HydrophobicContact CZ2-CD2 3.75Å; W181-W283 AromaticContact CZ2-CE2 3.26Å; W181-W283 AromaticContact CZ2-CG 3.95Å; W181-W283 HydrophobicContact CZ2-CG 3.95Å; W181-W283 HydrophobicContact CZ2-CH2 4.5Å; W181-W283 AromaticContact CZ2-CZ2 3.71Å; W181-W283 HydrophobicContact CZ2-CZ2 3.71Å; W181-W283 AromaticContact CZ2-NE1 3.18Å; W181-W283 AromaticContact NE1-CD1 3.14Å; W181-W283 AromaticContact NE1-CG 3.87Å; W181-W283 AromaticContact NE1-NE1 3.5Å |
| 182 | I | 93.5 | Very high | 92.1 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -53 | 175.3 | -66.3 | 168 | 0 | 0 | 0 | 110.1 | L58 L178 P179 M184 S185 F186 | L58-I182 HydrophobicContact CD2-CG2 4.37Å; L178-I182 VanDerWaalsContact O-CG1 3.32Å; L178-I182 WeakPolarHBondContact O-CG1 3.09Å; L178-I182 PolarHBondContact O-N 3.39Å; P179-I182 PolarHBondContact O-N 2.95Å; I182-M184 PolarHBondContact O-N 2.95Å; I182-S185 WeakPolarHBondContact O-CB 3.38Å; I182-S185 PolarHBondContact O-N 3.13Å; I182-F186 HydrophobicContact CG2-CD2 3.79Å; I182-F186 HydrophobicContact CG2-CE2 3.88Å; I182-F186 WeakPolarHBondContact O-CD2 3.32Å; I182-F186 PolarHBondContact O-N 2.78Å |
| 183 | F | 94.1 | Very high | 91.9 | Very high | 54 Ų | 54 | 45 Ų | 45 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | -176.2 | -59.9 | -40.4 | 0 | 0 | 0 | 112.6 | L58 P63 V64 P179 M180 S185 F186 A187 | L58-F183 HydrophobicContact CD1-CE1 3.93Å; P63-F183 HydrophobicContact CB-CD1 4.09Å; P63-F183 HydrophobicContact CB-CD2 3.56Å; P63-F183 HydrophobicContact CB-CE1 4.15Å; P63-F183 HydrophobicContact CB-CE2 3.64Å; P63-F183 HydrophobicContact CB-CG 3.81Å; P63-F183 HydrophobicContact CB-CZ 3.95Å; P63-F183 HydrophobicContact CG-CE1 4.47Å; P63-F183 HydrophobicContact CG-CE2 4.11Å; P63-F183 HydrophobicContact CG-CZ 4.09Å; V64-F183 HydrophobicContact CG2-CB 4.18Å; V64-F183 HydrophobicContact CG2-CD1 3.86Å; V64-F183 HydrophobicContact CG2-CG 4.41Å; P179-F183 HydrophobicContact CB-CD2 4.28Å; P179-F183 HydrophobicContact CB-CE2 3.73Å; P179-F183 HydrophobicContact CB-CZ 4.23Å; P179-F183 WeakPolarHBondContact O-CD2 3.02Å; P179-F183 WeakPolarHBondContact O-CG 3.47Å; P179-F183 PolarHBondContact O-N 3.18Å; M180-F183 PolarHBondContact O-N 3.47Å; F183-S185 VanDerWaalsContact C-N 3.31Å; F183-S185 PolarHBondContact O-N 3.33Å; F183-F186 PolarHBondContact O-N 3.35Å; F183-A187 WeakPolarHBondContact O-CB 3.42Å; F183-A187 PolarHBondContact O-N 2.8Å |
| 184 | M | 93.9 | Very high | 91.4 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 174.2 | -71.1 | -62.1 | -61.7 | 0 | 0 | 112.3 | A67 L71 L93 M180 I182 A187 L188 Y282 | A67-M184 HydrophobicContact CB-SD 3.56Å; A67-M184 VanDerWaalsContact CB-SD 3.56Å; L71-M184 HydrophobicContact CD1-CE 3.9Å; L71-M184 HydrophobicContact CD2-CE 3.79Å; L71-M184 HydrophobicContact CG-CE 3.82Å; L93-M184 HydrophobicContact CD2-CG 4.08Å; L93-M184 HydrophobicContact CD2-SD 4.2Å; M180-M184 WeakPolarHBondContact O-CB 3.38Å; M180-M184 VanDerWaalsContact O-CG 3.27Å; M180-M184 WeakPolarHBondContact O-CG 3.45Å; M180-M184 PolarHBondContact O-N 2.76Å; I182-M184 PolarHBondContact O-N 2.95Å; M184-A187 PolarHBondContact O-N 3.47Å; M184-L188 WeakPolarHBondContact O-CG 3.48Å; M184-L188 PolarHBondContact O-N 3.02Å; M184-Y282 HydrophobicContact CB-CE1 3.88Å; M184-Y282 HydrophobicContact CB-CE2 3.99Å; M184-Y282 HydrophobicContact CG-CE2 4.35Å |
| 185 | S | 94.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | W181 I182 F183 R189 W283 | W181-S185 WeakPolarHBondContact O-CB 3.44Å; W181-S185 PolarHBondContact O-N 3.33Å; W181-S185 VanDerWaalsContact O-N 3.12Å; W181-S185 PolarHBondContact O-OG 3.42Å; I182-S185 WeakPolarHBondContact O-CB 3.38Å; I182-S185 PolarHBondContact O-N 3.13Å; F183-S185 VanDerWaalsContact C-N 3.31Å; F183-S185 PolarHBondContact O-N 3.33Å; S185-R189 WeakPolarHBondContact O-CB 3.42Å; S185-R189 PolarHBondContact O-N 3.34Å; S185-W283 PolarHBondContact OG-NE1 2.94Å |
| 186 | F | 92.8 | Very high | 89.8 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 174.6 | -90.3 | -95.5 | 0 | 0 | 0 | 112 | Y55 L58 A59 V64 I182 F183 L188 R189 N190 | Y55-F186 AromaticContact CD2-CE1 3.69Å; Y55-F186 HydrophobicContact CD2-CE1 3.69Å; Y55-F186 AromaticContact CD2-CZ 3.84Å; Y55-F186 HydrophobicContact CD2-CZ 3.84Å; Y55-F186 HydrophobicContact CE1-CE1 4.35Å; Y55-F186 HydrophobicContact CE2-CD1 4.29Å; Y55-F186 AromaticContact CE2-CE1 3.21Å; Y55-F186 HydrophobicContact CE2-CE1 3.21Å; Y55-F186 AromaticContact CE2-CZ 3.51Å; Y55-F186 HydrophobicContact CE2-CZ 3.51Å; Y55-F186 HydrophobicContact CG-CE1 4.42Å; Y55-F186 AromaticContact CZ-CE1 3.55Å; L58-F186 HydrophobicContact CD2-CD2 4.32Å; L58-F186 HydrophobicContact CD2-CE1 4.2Å; L58-F186 HydrophobicContact CD2-CE2 3.71Å; L58-F186 HydrophobicContact CD2-CZ 3.65Å; L58-F186 HydrophobicContact CG-CE1 4.42Å; L58-F186 HydrophobicContact CG-CE2 4.48Å; L58-F186 HydrophobicContact CG-CZ 4.33Å; A59-F186 HydrophobicContact CB-CD1 3.89Å; A59-F186 HydrophobicContact CB-CE1 4.28Å; V64-F186 HydrophobicContact CG1-CB 4.08Å; V64-F186 HydrophobicContact CG2-CB 3.85Å; I182-F186 HydrophobicContact CG2-CD2 3.79Å; I182-F186 HydrophobicContact CG2-CE2 3.88Å; I182-F186 WeakPolarHBondContact O-CD2 3.32Å; I182-F186 PolarHBondContact O-N 2.78Å; F183-F186 PolarHBondContact O-N 3.35Å; F186-L188 PolarHBondContact O-N 2.84Å; F186-R189 WeakPolarHBondContact O-CB 3.37Å; F186-R189 PolarHBondContact O-N 2.87Å; F186-N190 PolarHBondContact O-N 2.98Å |
| 187 | A | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V64 A67 E68 L71 F183 M184 R189 N190 L191 | V64-A187 HydrophobicContact CG1-CB 4.12Å; A67-A187 HydrophobicContact CB-CB 3.68Å; E68-A187 HydrophobicContact CG-CB 3.64Å; L71-A187 HydrophobicContact CD1-CB 4.22Å; F183-A187 WeakPolarHBondContact O-CB 3.42Å; F183-A187 PolarHBondContact O-N 2.8Å; M184-A187 PolarHBondContact O-N 3.47Å; A187-R189 VanDerWaalsContact C-N 3.28Å; A187-R189 PolarHBondContact O-N 3.24Å; A187-N190 PolarHBondContact O-N 3.45Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.48Å; A187-L191 PolarHBondContact O-N 2.6Å |
| 188 | L | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | 176.7 | -73.3 | 167.6 | 0 | 0 | 0 | 112.4 | L71 I86 M184 F186 S192 I279 Y282 | L71-L188 HydrophobicContact CD1-CD2 3.67Å; L71-L188 HydrophobicContact CD1-CG 3.86Å; L71-L188 HydrophobicContact CD2-CD2 4.32Å; I86-L188 HydrophobicContact CD1-CD2 3.9Å; I86-L188 HydrophobicContact CG1-CD2 3.91Å; M184-L188 WeakPolarHBondContact O-CG 3.48Å; M184-L188 PolarHBondContact O-N 3.02Å; F186-L188 PolarHBondContact O-N 2.84Å; L188-S192 VanDerWaalsContact O-CB 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 3.27Å; L188-S192 PolarHBondContact O-OG 3.44Å; L188-I279 HydrophobicContact CB-CG1 3.88Å; L188-Y282 HydrophobicContact CD1-CD1 4.09Å; L188-Y282 HydrophobicContact CD1-CD2 4.31Å; L188-Y282 HydrophobicContact CD1-CG 3.65Å |
| 189 | R | 92.2 | Very high | 85.1 | Confident | 94 Ų | 94 | 44.8 Ų | 44.8 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64 | -47.9 | 174.2 | -165 | 174.8 | 176.6 | -74.2 | 9.9 | 111.6 | Y55 S185 F186 A187 L191 S192 T193 I279 | Y55-R189 WeakPolarHBondContact OH-CD 3.31Å; Y55-R189 PolarHBondContact OH-NE 3.44Å; Y55-R189 PolarHBondContact OH-NH1 3.14Å; S185-R189 WeakPolarHBondContact O-CB 3.42Å; S185-R189 PolarHBondContact O-N 3.34Å; F186-R189 WeakPolarHBondContact O-CB 3.37Å; F186-R189 PolarHBondContact O-N 2.87Å; A187-R189 VanDerWaalsContact C-N 3.28Å; A187-R189 PolarHBondContact O-N 3.24Å; R189-L191 VanDerWaalsContact C-N 3.32Å; R189-L191 PolarHBondContact O-N 2.92Å; R189-S192 PolarHBondContact O-N 2.9Å; R189-S192 VanDerWaalsContact O-N 3.12Å; R189-T193 HydrophobicContact CG-CG2 4.41Å; R189-T193 WeakPolarHBondContact O-CG2 3.37Å; R189-T193 PolarHBondContact O-N 2.88Å; R189-T193 PolarHBondContact O-OG1 3.44Å; R189-T193 VanDerWaalsContact O-OG1 3.13Å; R189-I279 HydrophobicContact CB-CD1 3.59Å; R189-I279 HydrophobicContact CG-CD1 4.01Å |
| 190 | N | 90.5 | Very high | 83.6 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 179.3 | -73.2 | -5.6 | 0 | 0 | 0 | 111.7 | A59 E68 F186 A187 S192 T193 G194 A195 A196 | A59-N190 PolarHBondContact O-ND2 2.92Å; E68-N190 WeakPolarHBondContact OE1-CB 3.45Å; E68-N190 PolarHBondContact OE1-ND2 2.96Å; F186-N190 PolarHBondContact O-N 2.98Å; A187-N190 PolarHBondContact O-N 3.45Å; N190-S192 VanDerWaalsContact C-N 3.33Å; N190-T193 PolarHBondContact O-N 3.36Å; N190-G194 PolarHBondContact O-N 2.99Å; N190-G194 VanDerWaalsContact O-N 3.1Å; N190-A195 PolarHBondContact O-N 2.82Å; N190-A196 PolarHBondContact O-N 3.29Å |
| 191 | L | 89.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -36 | 174.9 | -63.3 | 169.1 | 0 | 0 | 0 | 111.8 | E68 L71 A187 R189 A196 V204 L208 | E68-L191 HydrophobicContact CG-CD2 4.43Å; E68-L191 HydrophobicContact CG-CG 4.33Å; L71-L191 HydrophobicContact CB-CD1 4.25Å; L71-L191 HydrophobicContact CD1-CD1 3.88Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.48Å; A187-L191 PolarHBondContact O-N 2.6Å; R189-L191 VanDerWaalsContact C-N 3.32Å; R189-L191 PolarHBondContact O-N 2.92Å; L191-A196 HydrophobicContact CD2-CB 3.87Å; L191-V204 HydrophobicContact CB-CG1 4.31Å; L191-V204 HydrophobicContact CD2-CG1 3.86Å; L191-L208 HydrophobicContact CB-CD2 4.36Å |
| 192 | S | 88.8 | Confident | 81 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.9 | -31.5 | 179.2 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | L188 R189 N190 S278 | L188-S192 VanDerWaalsContact O-CB 3.3Å; L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 3.27Å; L188-S192 PolarHBondContact O-OG 3.44Å; R189-S192 PolarHBondContact O-N 2.9Å; R189-S192 VanDerWaalsContact O-N 3.12Å; N190-S192 VanDerWaalsContact C-N 3.33Å; S192-S278 PolarHBondContact OG-OG 3Å |
| 193 | T | 86.4 | Confident | 80.3 | Confident | 66 Ų | 66 | 46.6 Ų | 46.6 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.5 | 179.6 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | R189 N190 A195 | R189-T193 HydrophobicContact CG-CG2 4.41Å; R189-T193 WeakPolarHBondContact O-CG2 3.37Å; R189-T193 PolarHBondContact O-N 2.88Å; R189-T193 PolarHBondContact O-OG1 3.44Å; R189-T193 VanDerWaalsContact O-OG1 3.13Å; N190-T193 PolarHBondContact O-N 3.36Å; T193-A195 PolarHBondContact O-N 3.14Å |
| 194 | G | 81.1 | Confident | 79.9 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 14.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N190 A196 Q205 | N190-G194 PolarHBondContact O-N 2.99Å; N190-G194 VanDerWaalsContact O-N 3.1Å; G194-A196 PolarHBondContact O-N 3.26Å; G194-Q205 VanDerWaalsContact CA-OE1 3.25Å |
| 195 | A | 78.3 | Confident | 79.5 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | trans | -84.5 | -0.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N190 T193 H197 | N190-A195 PolarHBondContact O-N 2.82Å; T193-A195 PolarHBondContact O-N 3.14Å; A195-H197 PolarHBondContact O-N 3.44Å; A195-H197 PolarHBondContact O-ND1 2.86Å | ||
| 196 | A | 70.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | trans | -56 | 136.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | N190 L191 G194 S198 | N190-A196 PolarHBondContact O-N 3.29Å; L191-A196 HydrophobicContact CD2-CB 3.87Å; G194-A196 PolarHBondContact O-N 3.26Å; A196-S198 PolarHBondContact O-N 3.48Å | ||
| 197 | H | 61.4 | Low | 78.8 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -78.5 | 12.6 | -171 | -63.9 | -20.5 | 0 | 0 | 0 | 114.7 | A60 A195 | A60-H197 WeakPolarHBondContact CA-NE2 3.42Å; A60-H197 VanDerWaalsContact CB-NE2 3.28Å; A60-H197 WeakPolarHBondContact CB-NE2 3.43Å; A195-H197 PolarHBondContact O-N 3.44Å; A195-H197 PolarHBondContact O-ND1 2.86Å |
| 198 | S | 59.3 | Low | 78.6 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -106.3 | 147 | 175.4 | -71.5 | 0 | 0 | 0 | 0 | 110 | A196 A200 G201 | A196-S198 PolarHBondContact O-N 3.48Å; S198-A200 PolarHBondContact O-N 2.83Å; S198-G201 PolarHBondContact O-N 2.93Å |
| 199 | E | 56.3 | Low | 78.4 | Confident | 211 Ų | 211 | 55.1 Ų | 55.1 | 99% | 0.986 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -8.6 | 178.7 | -44 | -161 | -169.2 | 0 | 0 | 112.9 | ||
| 200 | A | 61.1 | Low | 78.2 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S198 F202 S203 V204 | S198-A200 PolarHBondContact O-N 2.83Å; A200-F202 VanDerWaalsContact C-N 3.31Å; A200-F202 PolarHBondContact O-N 3.35Å; A200-S203 PolarHBondContact O-N 3.47Å; A200-S203 PolarHBondContact O-OG 3.25Å; A200-V204 HydrophobicContact CB-CG2 4.26Å; A200-V204 WeakPolarHBondContact O-CB 3.36Å; A200-V204 VanDerWaalsContact O-CG2 3.22Å; A200-V204 WeakPolarHBondContact O-CG2 3.43Å; A200-V204 PolarHBondContact O-N 3.2Å |
| 201 | G | 63.8 | Low | 77.9 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.7 | -39.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S198 Q205 | S198-G201 PolarHBondContact O-N 2.93Å; G201-Q205 WeakPolarHBondContact O-CB 3.39Å; G201-Q205 PolarHBondContact O-N 3.36Å |
| 202 | F | 67.9 | Low | 77.7 | Confident | 146 Ų | 146 | 57.1 Ų | 57.1 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -70 | -44.2 | 177.5 | -168.5 | -97.7 | 0 | 0 | 0 | 112.1 | A200 V204 Q205 E206 | A200-F202 VanDerWaalsContact C-N 3.31Å; A200-F202 PolarHBondContact O-N 3.35Å; F202-V204 VanDerWaalsContact C-N 3.3Å; F202-V204 PolarHBondContact O-N 2.83Å; F202-Q205 PolarHBondContact O-N 3.02Å; F202-E206 HydrophobicContact CE1-CG 4.35Å; F202-E206 WeakPolarHBondContact CE1-OE1 3.33Å; F202-E206 PolarHBondContact O-N 3.28Å; F202-E206 VanDerWaalsContact O-N 3.17Å |
| 203 | S | 79.7 | Confident | 77.7 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.1 | -30.1 | 178.6 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | A200 Q207 | A200-S203 PolarHBondContact O-N 3.47Å; A200-S203 PolarHBondContact O-OG 3.25Å; S203-Q207 WeakPolarHBondContact O-CG 3.33Å; S203-Q207 PolarHBondContact O-N 3.48Å; S203-Q207 PolarHBondContact O-NE2 3.29Å |
| 204 | V | 84.4 | Confident | 77.8 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.5 | -42.8 | 174.5 | 170 | 0 | 0 | 0 | 0 | 110.8 | L72 W82 L191 A200 F202 E206 Q207 L208 | L72-V204 HydrophobicContact CD2-CG1 4.2Å; L72-V204 HydrophobicContact CD2-CG2 3.61Å; W82-V204 HydrophobicContact CH2-CG1 3.77Å; W82-V204 HydrophobicContact CZ2-CG1 3.58Å; L191-V204 HydrophobicContact CB-CG1 4.31Å; L191-V204 HydrophobicContact CD2-CG1 3.86Å; A200-V204 HydrophobicContact CB-CG2 4.26Å; A200-V204 WeakPolarHBondContact O-CB 3.36Å; A200-V204 VanDerWaalsContact O-CG2 3.22Å; A200-V204 WeakPolarHBondContact O-CG2 3.43Å; A200-V204 PolarHBondContact O-N 3.2Å; F202-V204 VanDerWaalsContact C-N 3.3Å; F202-V204 PolarHBondContact O-N 2.83Å; V204-E206 VanDerWaalsContact C-N 3.34Å; V204-E206 PolarHBondContact O-N 2.9Å; V204-Q207 PolarHBondContact O-N 3.4Å; V204-Q207 VanDerWaalsContact O-N 3.16Å; V204-L208 HydrophobicContact CG1-CD1 3.49Å; V204-L208 VanDerWaalsContact CG1-CD1 3.49Å; V204-L208 WeakPolarHBondContact O-CD1 3.41Å; V204-L208 PolarHBondContact O-N 2.95Å |
| 205 | Q | 86.4 | Confident | 78.1 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.271 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 176.7 | -177.6 | 179.7 | -9 | 0 | 0 | 111.9 | G194 G201 F202 Q207 L208 A209 T220 | G194-Q205 VanDerWaalsContact CA-OE1 3.25Å; G201-Q205 WeakPolarHBondContact O-CB 3.39Å; G201-Q205 PolarHBondContact O-N 3.36Å; F202-Q205 PolarHBondContact O-N 3.02Å; Q205-Q207 VanDerWaalsContact C-N 3.32Å; Q205-Q207 PolarHBondContact O-N 3.49Å; Q205-L208 PolarHBondContact O-N 3.32Å; Q205-A209 WeakPolarHBondContact O-CB 3.35Å; Q205-A209 PolarHBondContact O-N 3.13Å; Q205-T220 HydrophobicContact CG-CG2 4.17Å |
| 206 | E | 85.5 | Confident | 78.5 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 176.1 | -70.6 | -175.4 | 161.1 | 0 | 0 | 112.3 | F202 V204 A209 T210 | F202-E206 HydrophobicContact CE1-CG 4.35Å; F202-E206 WeakPolarHBondContact CE1-OE1 3.33Å; F202-E206 PolarHBondContact O-N 3.28Å; F202-E206 VanDerWaalsContact O-N 3.17Å; V204-E206 VanDerWaalsContact C-N 3.34Å; V204-E206 PolarHBondContact O-N 2.9Å; E206-A209 PolarHBondContact O-N 3.12Å; E206-T210 PolarHBondContact O-N 3.29Å; E206-T210 PolarHBondContact O-OG1 3.4Å |
| 207 | Q | 86.5 | Confident | 79.2 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 175 | -68.1 | 169.3 | 55.6 | 0 | 0 | 112.1 | S203 V204 Q205 T210 G211 | S203-Q207 WeakPolarHBondContact O-CG 3.33Å; S203-Q207 PolarHBondContact O-N 3.48Å; S203-Q207 PolarHBondContact O-NE2 3.29Å; V204-Q207 PolarHBondContact O-N 3.4Å; V204-Q207 VanDerWaalsContact O-N 3.16Å; Q205-Q207 VanDerWaalsContact C-N 3.32Å; Q205-Q207 PolarHBondContact O-N 3.49Å; Q207-T210 PolarHBondContact O-N 3.33Å; Q207-T210 PolarHBondContact O-OG1 3.43Å; Q207-G211 VanDerWaalsContact O-CA 3.26Å; Q207-G211 WeakPolarHBondContact O-CA 3.35Å; Q207-G211 PolarHBondContact O-N 2.93Å |
| 208 | L | 87.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 172.7 | -93.3 | 85 | 0 | 0 | 0 | 111.3 | W82 L191 V204 Q205 T210 G211 L219 T220 | W82-L208 HydrophobicContact CB-CG 4.39Å; W82-L208 HydrophobicContact CD2-CD1 3.39Å; W82-L208 HydrophobicContact CD2-CG 3.86Å; W82-L208 HydrophobicContact CE3-CD1 3.65Å; W82-L208 HydrophobicContact CE3-CG 4.12Å; W82-L208 HydrophobicContact CG-CD1 3.95Å; W82-L208 HydrophobicContact CG-CG 3.98Å; W82-L208 HydrophobicContact CH2-CD1 3.85Å; W82-L208 HydrophobicContact CZ2-CD1 3.63Å; W82-L208 HydrophobicContact CZ3-CD1 3.87Å; L191-L208 HydrophobicContact CB-CD2 4.36Å; V204-L208 HydrophobicContact CG1-CD1 3.49Å; V204-L208 VanDerWaalsContact CG1-CD1 3.49Å; V204-L208 WeakPolarHBondContact O-CD1 3.41Å; V204-L208 PolarHBondContact O-N 2.95Å; Q205-L208 PolarHBondContact O-N 3.32Å; L208-T210 PolarHBondContact O-N 3.06Å; L208-G211 PolarHBondContact O-N 3.04Å; L208-L219 HydrophobicContact CB-CB 4.42Å; L208-L219 WeakPolarHBondContact O-CB 3.42Å; L208-L219 PolarHBondContact O-N 3.27Å; L208-T220 HydrophobicContact CB-CG2 3.71Å |
| 209 | A | 88.7 | Confident | 81.9 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -23.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q205 E206 D218 T220 | Q205-A209 WeakPolarHBondContact O-CB 3.35Å; Q205-A209 PolarHBondContact O-N 3.13Å; E206-A209 PolarHBondContact O-N 3.12Å; A209-D218 WeakPolarHBondContact CA-OD1 3.19Å; A209-D218 VanDerWaalsContact O-CA 3.3Å; A209-D218 WeakPolarHBondContact O-CA 3.49Å; A209-T220 HydrophobicContact CB-CG2 4.17Å |
| 210 | T | 87.6 | Confident | 83.6 | Confident | 120 Ų | 120 | 54.7 Ų | 54.7 | 74% | 0.736 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -106.7 | -10.4 | 176.4 | 53 | 0 | 0 | 0 | 0 | 113.5 | E206 Q207 L208 G212 | E206-T210 PolarHBondContact O-N 3.29Å; E206-T210 PolarHBondContact O-OG1 3.4Å; Q207-T210 PolarHBondContact O-N 3.33Å; Q207-T210 PolarHBondContact O-OG1 3.43Å; L208-T210 PolarHBondContact O-N 3.06Å; T210-G212 PolarHBondContact O-N 3.04Å |
| 211 | G | 84.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 54.2 Ų | 54.2 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -92.6 | 14 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W82 W83 Q207 L208 L219 | W82-G211 PolarHBondContact N-O 2.98Å; W83-G211 VanDerWaalsContact CD1-O 3.29Å; W83-G211 PolarHBondContact N-O 3.22Å; W83-G211 VanDerWaalsContact N-O 3.16Å; Q207-G211 VanDerWaalsContact O-CA 3.26Å; Q207-G211 WeakPolarHBondContact O-CA 3.35Å; Q207-G211 PolarHBondContact O-N 2.93Å; L208-G211 PolarHBondContact O-N 3.04Å; G211-L219 WeakPolarHBondContact O-CD1 3.47Å |
| 212 | G | 86 | Confident | 86.2 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -80.2 | -170.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T210 F216 P217 | T210-G212 PolarHBondContact O-N 3.04Å; G212-F216 VanDerWaalsContact CA-O 3.3Å; G212-F216 WeakPolarHBondContact CA-O 3.43Å; G212-P217 WeakPolarHBondContact CA-O 3.14Å; G212-P217 PolarHBondContact N-O 3.49Å | ||
| 213 | I | 88.7 | Confident | 87.3 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -152.9 | 158.1 | -178.6 | -162.5 | 175.6 | 0 | 0 | 0 | 111.2 | W83 W215 F216 | W83-I213 HydrophobicContact CB-CG2 4.24Å; W83-I213 HydrophobicContact CD2-CB 4.24Å; W83-I213 HydrophobicContact CD2-CD1 4.23Å; W83-I213 HydrophobicContact CD2-CG2 3.91Å; W83-I213 HydrophobicContact CE3-CG2 4.4Å; W83-I213 HydrophobicContact CG-CB 4.02Å; W83-I213 HydrophobicContact CG-CG2 3.8Å; W83-I213 HydrophobicContact CH2-CD1 4.14Å; W83-I213 HydrophobicContact CZ2-CD1 3.55Å; I213-W215 PolarHBondContact O-N 3.34Å; I213-F216 HydrophobicContact CG2-CE1 4.18Å; I213-F216 HydrophobicContact CG2-CE2 3.7Å; I213-F216 HydrophobicContact CG2-CZ 3.44Å; I213-F216 VanDerWaalsContact CG2-CZ 3.44Å; I213-F216 PolarHBondContact N-O 3.07Å; I213-F216 VanDerWaalsContact N-O 3.11Å; I213-F216 CarbonylContact O-C 3.49Å; I213-F216 VanDerWaalsContact O-CD1 3.26Å; I213-F216 WeakPolarHBondContact O-CD1 3.44Å; I213-F216 WeakPolarHBondContact O-CE1 3.45Å; I213-F216 WeakPolarHBondContact O-CG 3.31Å; I213-F216 PolarHBondContact O-N 3.01Å; I213-F216 VanDerWaalsContact O-N 3.09Å |
| 214 | L | 88.5 | Confident | 87.6 | Confident | 132 Ų | 132 | 53.3 Ų | 53.3 | 69% | 0.691 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -120.6 | 175.4 | -67 | 162.3 | 0 | 0 | 0 | 111.9 | F216 | L214-F216 VanDerWaalsContact C-N 3.34Š|
| 215 | W | 86.5 | Confident | 87.8 | Confident | 103 Ų | 103 | 56 Ų | 56 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.7 | -177.7 | 62.1 | 85.3 | 0 | 0 | 0 | 113.5 | I213 P217 T225 I227 L228 | I213-W215 PolarHBondContact O-N 3.34Å; W215-P217 VanDerWaalsContact C-CD 3.49Å; W215-T225 HydrophobicContact CB-CG2 4.37Å; W215-I227 HydrophobicContact CD2-CD1 4.04Å; W215-I227 HydrophobicContact CG-CD1 4.11Å; W215-I227 HydrophobicContact CH2-CG2 4.13Å; W215-I227 HydrophobicContact CZ2-CB 4.16Å; W215-I227 HydrophobicContact CZ2-CG2 3.43Å; W215-I227 VanDerWaalsContact CZ2-CG2 3.43Å; W215-L228 HydrophobicContact CZ2-CD2 4.41Å |
| 216 | F | 86.7 | Confident | 88 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 71.1 | 177.4 | 56.8 | -83 | 0 | 0 | 0 | 110.3 | G212 I213 L214 D218 L219 L228 L281 | G212-F216 VanDerWaalsContact CA-O 3.3Å; G212-F216 WeakPolarHBondContact CA-O 3.43Å; I213-F216 HydrophobicContact CG2-CE1 4.18Å; I213-F216 HydrophobicContact CG2-CE2 3.7Å; I213-F216 HydrophobicContact CG2-CZ 3.44Å; I213-F216 VanDerWaalsContact CG2-CZ 3.44Å; I213-F216 PolarHBondContact N-O 3.07Å; I213-F216 VanDerWaalsContact N-O 3.11Å; I213-F216 CarbonylContact O-C 3.49Å; I213-F216 VanDerWaalsContact O-CD1 3.26Å; I213-F216 WeakPolarHBondContact O-CD1 3.44Å; I213-F216 WeakPolarHBondContact O-CE1 3.45Å; I213-F216 WeakPolarHBondContact O-CG 3.31Å; I213-F216 PolarHBondContact O-N 3.01Å; I213-F216 VanDerWaalsContact O-N 3.09Å; L214-F216 VanDerWaalsContact C-N 3.34Å; F216-D218 VanDerWaalsContact C-N 3.29Å; F216-D218 PolarHBondContact O-N 3.29Å; F216-L219 HydrophobicContact CD2-CD2 3.82Å; F216-L219 HydrophobicContact CE2-CD2 4.08Å; F216-L228 HydrophobicContact CB-CD1 4.28Å; F216-L228 HydrophobicContact CD1-CD1 3.86Å; F216-L228 HydrophobicContact CD1-CG 4.3Å; F216-L228 HydrophobicContact CD2-CD1 4.15Å; F216-L228 HydrophobicContact CE1-CD1 4.2Å; F216-L228 HydrophobicContact CE1-CD2 4.18Å; F216-L228 HydrophobicContact CE1-CG 4.44Å; F216-L228 HydrophobicContact CE2-CD1 4.49Å; F216-L228 HydrophobicContact CG-CD1 3.84Å; F216-L281 HydrophobicContact CE2-CD1 4.2Å; F216-L281 HydrophobicContact CE2-CD2 4.2Å; F216-L281 HydrophobicContact CZ-CD1 4.11Å |
| 217 | P | 84.8 | Confident | 88.4 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | trans | -66.6 | -32.6 | 179.5 | 27.4 | -34.2 | 0 | 0 | 0 | 112.4 | G212 W215 | G212-P217 WeakPolarHBondContact CA-O 3.14Å; G212-P217 PolarHBondContact N-O 3.49Å; W215-P217 VanDerWaalsContact C-CD 3.49Å | ||
| 218 | D | 89.6 | Confident | 88.6 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | trans | -99.2 | 113.4 | 177.1 | -176 | -7.7 | 0 | 0 | 0 | 110.5 | A209 F216 T220 A221 | A209-D218 WeakPolarHBondContact CA-OD1 3.19Å; A209-D218 VanDerWaalsContact O-CA 3.3Å; A209-D218 WeakPolarHBondContact O-CA 3.49Å; F216-D218 VanDerWaalsContact C-N 3.29Å; F216-D218 PolarHBondContact O-N 3.29Å; D218-T220 VanDerWaalsContact C-N 3.32Å; D218-T220 WeakPolarHBondContact OD1-CA 3.23Å; D218-T220 WeakPolarHBondContact OD1-CB 3.34Å; D218-T220 PolarHBondContact OD1-N 3.45Å; D218-T220 PolarHBondContact OD1-OG1 3.48Å; D218-T220 PolarHBondContact OD2-OG1 3.35Å; D218-A221 HydrophobicContact CB-CB 4.24Å; D218-A221 PolarHBondContact OD1-N 3.04Å | ||
| 219 | L | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -80.4 | -13.6 | 177.8 | -67 | 167.7 | 0 | 0 | 0 | 113.3 | W82 W83 I86 L208 G211 F216 S277 S278 L281 | W82-L219 HydrophobicContact CB-CD1 3.53Å; W83-L219 HydrophobicContact CB-CD1 4.47Å; I86-L219 HydrophobicContact CD1-CD1 4.45Å; L208-L219 HydrophobicContact CB-CB 4.42Å; L208-L219 WeakPolarHBondContact O-CB 3.42Å; L208-L219 PolarHBondContact O-N 3.27Å; G211-L219 WeakPolarHBondContact O-CD1 3.47Å; F216-L219 HydrophobicContact CD2-CD2 3.82Å; F216-L219 HydrophobicContact CE2-CD2 4.08Å; L219-S277 PolarHBondContact O-N 3.28Å; L219-S278 WeakPolarHBondContact O-CB 3.47Å; L219-S278 PolarHBondContact O-N 2.75Å; L219-S278 PolarHBondContact O-OG 3.28Å; L219-L281 HydrophobicContact CD2-CD2 4.09Å |
| 220 | T | 90.4 | Very high | 89.1 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -86.9 | -27.5 | -179.1 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | Q205 L208 A209 D218 P276 | Q205-T220 HydrophobicContact CG-CG2 4.17Å; L208-T220 HydrophobicContact CB-CG2 3.71Å; A209-T220 HydrophobicContact CB-CG2 4.17Å; D218-T220 VanDerWaalsContact C-N 3.32Å; D218-T220 WeakPolarHBondContact OD1-CA 3.23Å; D218-T220 WeakPolarHBondContact OD1-CB 3.34Å; D218-T220 PolarHBondContact OD1-N 3.45Å; D218-T220 PolarHBondContact OD1-OG1 3.48Å; D218-T220 PolarHBondContact OD2-OG1 3.35Å; T220-P276 WeakPolarHBondContact O-CB 3.34Å |
| 221 | A | 89.8 | Confident | 89.5 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -82.9 | 151.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | D218 S277 | D218-A221 HydrophobicContact CB-CB 4.24Å; D218-A221 PolarHBondContact OD1-N 3.04Å; A221-S277 WeakPolarHBondContact O-CB 3.38Å; A221-S277 PolarHBondContact O-N 3.48Å; A221-S277 PolarHBondContact O-OG 2.75Å |
| 222 | P | 91.4 | Very high | 89.9 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | trans | -64.4 | 146.7 | 168.3 | -18.8 | 31.8 | 0 | 0 | 0 | 112.5 | S224 A273 | P222-S224 PolarHBondContact O-N 3.39Å; P222-S224 VanDerWaalsContact O-N 3.13Å; P222-A273 WeakPolarHBondContact CB-O 3.25Å | ||
| 223 | D | 89.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.032 | 29% | 0.287 | C | S | . | . | trans | -71.4 | 104.5 | 178.8 | 179.5 | 11.8 | 0 | 0 | 0 | 111.3 | T225 W226 I227 L228 S277 | D223-T225 VanDerWaalsContact CG-OG1 3.31Å; D223-T225 PolarHBondContact O-N 2.97Å; D223-T225 WeakPolarHBondContact OD1-CB 3.19Å; D223-T225 PolarHBondContact OD1-N 3.46Å; D223-T225 PolarHBondContact OD1-OG1 2.66Å; D223-T225 PolarHBondContact OD2-OG1 2.99Å; D223-W226 PolarHBondContact O-N 3.26Å; D223-I227 PolarHBondContact OD2-N 2.92Å; D223-L228 HydrophobicContact CB-CB 4.43Å; D223-L228 HydrophobicContact CB-CD1 4.38Å; D223-L228 WeakPolarHBondContact OD2-CB 3.04Å; D223-L228 PolarHBondContact OD2-N 2.95Å; D223-S277 PolarHBondContact N-OG 3.4Å | ||
| 224 | S | 86.4 | Confident | 90.6 | Very high | 108 Ų | 108 | 52.9 Ų | 52.9 | 76% | 0.755 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.6 | 179 | 61.4 | 0 | 0 | 0 | 0 | 113.7 | P222 W226 | P222-S224 PolarHBondContact O-N 3.39Å; P222-S224 VanDerWaalsContact O-N 3.13Å; S224-W226 VanDerWaalsContact C-N 3.35Å |
| 225 | T | 89.3 | Confident | 90.9 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.7 | 179.5 | 71.6 | 0 | 0 | 0 | 0 | 113.1 | W215 D223 I227 | W215-T225 HydrophobicContact CB-CG2 4.37Å; D223-T225 VanDerWaalsContact CG-OG1 3.31Å; D223-T225 PolarHBondContact O-N 2.97Å; D223-T225 WeakPolarHBondContact OD1-CB 3.19Å; D223-T225 PolarHBondContact OD1-N 3.46Å; D223-T225 PolarHBondContact OD1-OG1 2.66Å; D223-T225 PolarHBondContact OD2-OG1 2.99Å; T225-I227 PolarHBondContact O-N 3.38Å; T225-I227 WeakPolarHBondContact OG1-CD1 3.4Å; T225-I227 WeakPolarHBondContact OG1-CG1 3.44Å; T225-I227 PolarHBondContact OG1-N 3.34Å |
| 226 | W | 90.4 | Very high | 91.2 | Very high | 131 Ų | 131 | 44.8 Ų | 44.8 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | trans | 60.7 | 6.9 | -176.3 | -67.8 | 40.5 | 0 | 0 | 0 | 114.5 | D223 S224 P229 I230 A273 | D223-W226 PolarHBondContact O-N 3.26Å; S224-W226 VanDerWaalsContact C-N 3.35Å; W226-P229 WeakPolarHBondContact O-CD 3.4Å; W226-I230 HydrophobicContact CB-CD1 4.04Å; W226-I230 HydrophobicContact CB-CG1 4.46Å; W226-I230 VanDerWaalsContact O-CB 3.32Å; W226-I230 WeakPolarHBondContact O-CB 3.26Å; W226-I230 WeakPolarHBondContact O-CD1 3.44Å; W226-I230 WeakPolarHBondContact O-CG1 3.38Å; W226-I230 PolarHBondContact O-N 2.74Å; W226-A273 HydrophobicContact CD2-CB 4.27Å; W226-A273 HydrophobicContact CZ2-CB 4.22Å | ||
| 227 | I | 93 | Very high | 91.6 | Very high | 72 Ų | 72 | 47.1 Ų | 47.1 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | -178.4 | -63.8 | 170.2 | 0 | 0 | 0 | 110 | W215 D223 T225 S231 | W215-I227 HydrophobicContact CD2-CD1 4.04Å; W215-I227 HydrophobicContact CG-CD1 4.11Å; W215-I227 HydrophobicContact CH2-CG2 4.13Å; W215-I227 HydrophobicContact CZ2-CB 4.16Å; W215-I227 HydrophobicContact CZ2-CG2 3.43Å; W215-I227 VanDerWaalsContact CZ2-CG2 3.43Å; D223-I227 PolarHBondContact OD2-N 2.92Å; T225-I227 PolarHBondContact O-N 3.38Å; T225-I227 WeakPolarHBondContact OG1-CD1 3.4Å; T225-I227 WeakPolarHBondContact OG1-CG1 3.44Å; T225-I227 PolarHBondContact OG1-N 3.34Å; I227-S231 VanDerWaalsContact O-CB 3.25Å; I227-S231 WeakPolarHBondContact O-CB 3.47Å; I227-S231 PolarHBondContact O-N 3.25Å; I227-S231 PolarHBondContact O-OG 3.49Å |
| 228 | L | 90.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -53.2 | 178.5 | -70.2 | 174.4 | 0 | 0 | 0 | 111.8 | W215 F216 D223 I230 S231 V232 V280 L284 | W215-L228 HydrophobicContact CZ2-CD2 4.41Å; F216-L228 HydrophobicContact CB-CD1 4.28Å; F216-L228 HydrophobicContact CD1-CD1 3.86Å; F216-L228 HydrophobicContact CD1-CG 4.3Å; F216-L228 HydrophobicContact CD2-CD1 4.15Å; F216-L228 HydrophobicContact CE1-CD1 4.2Å; F216-L228 HydrophobicContact CE1-CD2 4.18Å; F216-L228 HydrophobicContact CE1-CG 4.44Å; F216-L228 HydrophobicContact CE2-CD1 4.49Å; F216-L228 HydrophobicContact CG-CD1 3.84Å; D223-L228 HydrophobicContact CB-CB 4.43Å; D223-L228 HydrophobicContact CB-CD1 4.38Å; D223-L228 WeakPolarHBondContact OD2-CB 3.04Å; D223-L228 PolarHBondContact OD2-N 2.95Å; L228-I230 VanDerWaalsContact C-N 3.35Å; L228-I230 PolarHBondContact O-N 3.48Å; L228-S231 PolarHBondContact O-N 2.87Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.04Å; L228-V280 HydrophobicContact CB-CB 4.39Å; L228-V280 HydrophobicContact CB-CG1 3.71Å; L228-L284 HydrophobicContact CD2-CD2 3.68Å |
| 229 | P | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.5 | -45.6 | 176.1 | -29.6 | 34.5 | 0 | 0 | 0 | 114.3 | W226 V232 G233 I269 A272 A273 V280 | W226-P229 WeakPolarHBondContact O-CD 3.4Å; P229-V232 PolarHBondContact O-N 3.03Å; P229-G233 PolarHBondContact O-N 3.31Å; P229-G233 VanDerWaalsContact O-N 3.13Å; P229-I269 HydrophobicContact CB-CG2 4.13Å; P229-A272 HydrophobicContact CB-CB 3.84Å; P229-A272 HydrophobicContact CG-CB 4.25Å; P229-A273 HydrophobicContact CB-CB 4.29Å; P229-A273 HydrophobicContact CG-CB 4.02Å; P229-V280 HydrophobicContact CG-CG1 4.39Å |
| 230 | I | 95.1 | Very high | 92 | Very high | 82 Ų | 82 | 46 Ų | 46 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 179.4 | -68.6 | 169 | 0 | 0 | 0 | 110 | W226 L228 V232 G233 V234 I269 | W226-I230 HydrophobicContact CB-CD1 4.04Å; W226-I230 HydrophobicContact CB-CG1 4.46Å; W226-I230 VanDerWaalsContact O-CB 3.32Å; W226-I230 WeakPolarHBondContact O-CB 3.26Å; W226-I230 WeakPolarHBondContact O-CD1 3.44Å; W226-I230 WeakPolarHBondContact O-CG1 3.38Å; W226-I230 PolarHBondContact O-N 2.74Å; L228-I230 VanDerWaalsContact C-N 3.35Å; L228-I230 PolarHBondContact O-N 3.48Å; I230-V232 VanDerWaalsContact C-N 3.32Å; I230-V232 PolarHBondContact O-N 3.37Å; I230-G233 PolarHBondContact O-N 2.88Å; I230-G233 VanDerWaalsContact O-N 3.14Å; I230-V234 HydrophobicContact CG2-CG2 4.14Å; I230-V234 WeakPolarHBondContact O-CG2 3.49Å; I230-V234 PolarHBondContact O-N 3.29Å; I230-I269 HydrophobicContact CG1-CG2 4.08Å |
| 231 | S | 94.8 | Very high | 91.9 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.5 | -61.7 | 0 | 0 | 0 | 0 | 112 | I227 L228 G233 V234 I235 | I227-S231 VanDerWaalsContact O-CB 3.25Å; I227-S231 WeakPolarHBondContact O-CB 3.47Å; I227-S231 PolarHBondContact O-N 3.25Å; I227-S231 PolarHBondContact O-OG 3.49Å; L228-S231 PolarHBondContact O-N 2.87Å; S231-G233 PolarHBondContact O-N 3.22Å; S231-V234 PolarHBondContact O-N 3.37Å; S231-I235 WeakPolarHBondContact O-CG1 3.16Å; S231-I235 PolarHBondContact O-N 3.09Å |
| 232 | V | 94.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | L228 P229 I230 V234 I235 N236 V280 W283 L284 | L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.04Å; P229-V232 PolarHBondContact O-N 3.03Å; I230-V232 VanDerWaalsContact C-N 3.32Å; I230-V232 PolarHBondContact O-N 3.37Å; V232-V234 PolarHBondContact O-N 3.5Å; V232-I235 PolarHBondContact O-N 3.27Å; V232-N236 WeakPolarHBondContact CG1-ND2 3.21Å; V232-N236 WeakPolarHBondContact O-CB 3.37Å; V232-N236 PolarHBondContact O-N 3.36Å; V232-N236 PolarHBondContact O-ND2 2.95Å; V232-V280 HydrophobicContact CG2-CG1 3.81Å; V232-W283 HydrophobicContact CG1-CB 4.23Å; V232-W283 HydrophobicContact CG2-CB 4.19Å; V232-L284 HydrophobicContact CG2-CB 3.71Å; V232-L284 HydrophobicContact CG2-CD1 3.93Å; V232-L284 HydrophobicContact CG2-CG 4.44Å |
| 233 | G | 93.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | P229 I230 S231 N236 L237 | P229-G233 PolarHBondContact O-N 3.31Å; P229-G233 VanDerWaalsContact O-N 3.13Å; I230-G233 PolarHBondContact O-N 2.88Å; I230-G233 VanDerWaalsContact O-N 3.14Å; S231-G233 PolarHBondContact O-N 3.22Å; G233-N236 PolarHBondContact O-N 3.42Å; G233-L237 VanDerWaalsContact O-CB 3.32Å; G233-L237 WeakPolarHBondContact O-CB 3.22Å; G233-L237 PolarHBondContact O-N 2.85Å |
| 234 | V | 95.1 | Very high | 91 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | I230 S231 V232 N236 L237 L238 | I230-V234 HydrophobicContact CG2-CG2 4.14Å; I230-V234 WeakPolarHBondContact O-CG2 3.49Å; I230-V234 PolarHBondContact O-N 3.29Å; S231-V234 PolarHBondContact O-N 3.37Å; V232-V234 PolarHBondContact O-N 3.5Å; V234-N236 PolarHBondContact O-N 3.01Å; V234-L237 PolarHBondContact O-N 3.38Å; V234-L238 HydrophobicContact CG1-CD1 4.22Å; V234-L238 WeakPolarHBondContact O-CG 3.42Å; V234-L238 PolarHBondContact O-N 3.21Å |
| 235 | I | 94.3 | Very high | 90.5 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 179.4 | -66.6 | -179.8 | 0 | 0 | 0 | 110.8 | S231 V232 L237 L238 I239 L284 F288 L291 | S231-I235 WeakPolarHBondContact O-CG1 3.16Å; S231-I235 PolarHBondContact O-N 3.09Å; V232-I235 PolarHBondContact O-N 3.27Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 2.89Å; I235-L238 WeakPolarHBondContact O-CB 3.37Å; I235-L238 PolarHBondContact O-N 3.42Å; I235-I239 HydrophobicContact CG2-CD1 4.18Å; I235-I239 WeakPolarHBondContact O-CG1 3.44Å; I235-I239 PolarHBondContact O-N 3.35Å; I235-L284 HydrophobicContact CD1-CD1 3.6Å; I235-F288 HydrophobicContact CD1-CB 4.26Å; I235-F288 HydrophobicContact CD1-CD2 4.22Å; I235-L291 HydrophobicContact CG2-CB 4.33Å; I235-L291 HydrophobicContact CG2-CD2 4.28Å |
| 236 | N | 94.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 42 Ų | 42 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.5 | -75.1 | -32.1 | 0 | 0 | 0 | 111.9 | V232 G233 V234 L238 I239 V240 S287 | V232-N236 WeakPolarHBondContact CG1-ND2 3.21Å; V232-N236 WeakPolarHBondContact O-CB 3.37Å; V232-N236 PolarHBondContact O-N 3.36Å; V232-N236 PolarHBondContact O-ND2 2.95Å; G233-N236 PolarHBondContact O-N 3.42Å; V234-N236 PolarHBondContact O-N 3.01Å; N236-L238 PolarHBondContact O-N 2.8Å; N236-I239 PolarHBondContact O-N 2.73Å; N236-V240 VanDerWaalsContact O-CG2 3.32Å; N236-V240 WeakPolarHBondContact O-CG2 3.3Å; N236-V240 PolarHBondContact O-N 3.21Å; N236-V240 VanDerWaalsContact O-N 3.11Å; N236-S287 PolarHBondContact ND2-OG 2.87Å; N236-S287 WeakPolarHBondContact OD1-CB 3.4Å; N236-S287 PolarHBondContact OD1-OG 3.31Å |
| 237 | L | 93.2 | Very high | 88.2 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 33% | 0.33 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 174.5 | -173.2 | 63 | 0 | 0 | 0 | 111.4 | G233 V234 I235 I239 V240 E241 R262 | G233-L237 VanDerWaalsContact O-CB 3.32Å; G233-L237 WeakPolarHBondContact O-CB 3.22Å; G233-L237 PolarHBondContact O-N 2.85Å; V234-L237 PolarHBondContact O-N 3.38Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 2.89Å; L237-I239 PolarHBondContact O-N 3.14Å; L237-V240 PolarHBondContact O-N 2.59Å; L237-E241 WeakPolarHBondContact O-CG 3.46Å; L237-E241 PolarHBondContact O-N 2.88Å; L237-R262 HydrophobicContact CD1-CB 4.36Å; L237-R262 HydrophobicContact CD1-CG 4.06Å |
| 238 | L | 91.8 | Very high | 86.2 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59 | -44.9 | 174.9 | -74.6 | 172.5 | 0 | 0 | 0 | 112 | V234 I235 N236 V240 E241 I242 | V234-L238 HydrophobicContact CG1-CD1 4.22Å; V234-L238 WeakPolarHBondContact O-CG 3.42Å; V234-L238 PolarHBondContact O-N 3.21Å; I235-L238 WeakPolarHBondContact O-CB 3.37Å; I235-L238 PolarHBondContact O-N 3.42Å; N236-L238 PolarHBondContact O-N 2.8Å; L238-V240 VanDerWaalsContact C-N 3.28Å; L238-V240 PolarHBondContact O-N 3.46Å; L238-E241 PolarHBondContact O-N 3.34Å; L238-I242 HydrophobicContact CB-CD1 4.47Å; L238-I242 VanDerWaalsContact O-CB 3.27Å; L238-I242 WeakPolarHBondContact O-CB 3.23Å; L238-I242 WeakPolarHBondContact O-CD1 3.37Å; L238-I242 VanDerWaalsContact O-CG1 3.23Å; L238-I242 WeakPolarHBondContact O-CG1 3.03Å; L238-I242 PolarHBondContact O-N 2.94Å |
| 239 | I | 91 | Very high | 84.6 | Confident | 34 Ų | 34 | 47 Ų | 47 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.4 | -45.2 | 176.1 | -67.6 | 166.6 | 0 | 0 | 0 | 110.7 | I235 N236 L237 S243 S287 L291 | I235-I239 HydrophobicContact CG2-CD1 4.18Å; I235-I239 WeakPolarHBondContact O-CG1 3.44Å; I235-I239 PolarHBondContact O-N 3.35Å; N236-I239 PolarHBondContact O-N 2.73Å; L237-I239 PolarHBondContact O-N 3.14Å; I239-S243 VanDerWaalsContact O-CB 3.24Å; I239-S243 WeakPolarHBondContact O-CB 3.43Å; I239-S243 PolarHBondContact O-N 3.38Å; I239-S243 PolarHBondContact O-OG 2.86Å; I239-S287 WeakPolarHBondContact CD1-O 3.37Å; I239-L291 HydrophobicContact CD1-CB 4.06Å; I239-L291 HydrophobicContact CG1-CB 3.72Å; I239-L291 HydrophobicContact CG1-CD1 3.92Å; I239-L291 HydrophobicContact CG1-CG 4.36Å |
| 240 | V | 90.1 | Very high | 83 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | -179.8 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | N236 L237 L238 S243 A244 T258 V261 R262 | N236-V240 VanDerWaalsContact O-CG2 3.32Å; N236-V240 WeakPolarHBondContact O-CG2 3.3Å; N236-V240 PolarHBondContact O-N 3.21Å; N236-V240 VanDerWaalsContact O-N 3.11Å; L237-V240 PolarHBondContact O-N 2.59Å; L238-V240 VanDerWaalsContact C-N 3.28Å; L238-V240 PolarHBondContact O-N 3.46Å; V240-S243 PolarHBondContact O-N 3.36Å; V240-A244 VanDerWaalsContact O-CB 3.25Å; V240-A244 WeakPolarHBondContact O-CB 3.42Å; V240-A244 PolarHBondContact O-N 3.27Å; V240-T258 HydrophobicContact CG1-CG2 4.09Å; V240-V261 HydrophobicContact CG2-CB 4.39Å; V240-V261 HydrophobicContact CG2-CG1 3.5Å; V240-R262 HydrophobicContact CG1-CG 3.75Å |
| 241 | E | 88.6 | Confident | 81.8 | Confident | 17 Ų | 17 | 50 Ų | 50 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 178 | -73 | -52.5 | 137.8 | 0 | 0 | 111.9 | L237 L238 S243 A244 L245 R262 K329 | L237-E241 WeakPolarHBondContact O-CG 3.46Å; L237-E241 PolarHBondContact O-N 2.88Å; L238-E241 PolarHBondContact O-N 3.34Å; E241-S243 PolarHBondContact O-N 3.33Å; E241-A244 PolarHBondContact O-N 2.82Å; E241-L245 VanDerWaalsContact O-CG 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.23Å; E241-L245 PolarHBondContact O-N 3.06Å; E241-R262 VanDerWaalsContact CD-NH2 3.32Å; E241-R262 IonicContact OE1-CZ 3.51Å; E241-R262 IonicContact OE1-NE 2.62Å; E241-R262 PolarHBondContact OE1-NE 2.91Å; E241-R262 IonicContact OE1-NH2 3.32Å; E241-R262 PolarHBondContact OE1-NH2 3.49Å; E241-R262 IonicContact OE2-CZ 2.82Å; E241-R262 IonicContact OE2-NH2 3.76Å; E241-R262 PolarHBondContact OE2-NH2 2.81Å; E241-K329 IonicContact OE2-NZ 3.85Å; E241-K329 PolarHBondContact OE2-NZ 3.06Å |
| 242 | I | 85.9 | Confident | 81.1 | Confident | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -37.9 | 178.1 | -71.3 | 166.7 | 0 | 0 | 0 | 110.4 | L238 L291 L295 R298 I322 | L238-I242 HydrophobicContact CB-CD1 4.47Å; L238-I242 VanDerWaalsContact O-CB 3.27Å; L238-I242 WeakPolarHBondContact O-CB 3.23Å; L238-I242 WeakPolarHBondContact O-CD1 3.37Å; L238-I242 VanDerWaalsContact O-CG1 3.23Å; L238-I242 WeakPolarHBondContact O-CG1 3.03Å; L238-I242 PolarHBondContact O-N 2.94Å; I242-L291 HydrophobicContact CD1-CD1 3.62Å; I242-L295 HydrophobicContact CG2-CD2 4.37Å; I242-R298 PolarHBondContact O-NH1 3.22Å; I242-R298 VanDerWaalsContact O-NH1 3.14Å; I242-R298 PolarHBondContact O-NH2 3.31Å; I242-I322 HydrophobicContact CG1-CG2 4.34Å; I242-I322 HydrophobicContact CG2-CD1 4.24Å |
| 243 | S | 83.9 | Confident | 80.4 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.1 | -30.1 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | I239 V240 E241 | I239-S243 VanDerWaalsContact O-CB 3.24Å; I239-S243 WeakPolarHBondContact O-CB 3.43Å; I239-S243 PolarHBondContact O-N 3.38Å; I239-S243 PolarHBondContact O-OG 2.86Å; V240-S243 PolarHBondContact O-N 3.36Å; E241-S243 PolarHBondContact O-N 3.33Å |
| 244 | A | 83.1 | Confident | 79.8 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 13% | 0.132 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.1 | -35.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V240 E241 Q246 K247 T258 | V240-A244 VanDerWaalsContact O-CB 3.25Å; V240-A244 WeakPolarHBondContact O-CB 3.42Å; V240-A244 PolarHBondContact O-N 3.27Å; E241-A244 PolarHBondContact O-N 2.82Å; A244-Q246 PolarHBondContact O-N 2.71Å; A244-K247 PolarHBondContact O-N 2.89Å; A244-T258 HydrophobicContact CB-CG2 3.85Å |
| 245 | L | 75.6 | Confident | 79.2 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.5 | -27.2 | -179.5 | -72.7 | 172.6 | 0 | 0 | 0 | 113.6 | E241 A325 K329 | E241-L245 VanDerWaalsContact O-CG 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.23Å; E241-L245 PolarHBondContact O-N 3.06Å; L245-A325 HydrophobicContact CD1-CB 4.34Å; L245-A325 HydrophobicContact CD2-CB 4.1Å; L245-K329 HydrophobicContact CD2-CD 4.02Å |
| 246 | Q | 64.6 | Low | 79 | Confident | 84 Ų | 84 | 72 Ų | 72 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.4 | -178.3 | -89.6 | -174 | -36.9 | 0 | 0 | 114.9 | A244 I248 R298 | A244-Q246 PolarHBondContact O-N 2.71Å; Q246-I248 PolarHBondContact O-N 3.2Å; Q246-R298 VanDerWaalsContact CD-CZ 3.48Å; Q246-R298 VanDerWaalsContact OE1-NH2 3.13Å |
| 247 | K | 66 | Low | 78.6 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 35% | 0.352 | 39% | 0.387 | S | S | . | . | trans | -85.1 | 82.1 | -171 | -66.8 | 167.5 | 170.4 | -178.1 | 0 | 110.2 | A244 G249 I250 Q254 | A244-K247 PolarHBondContact O-N 2.89Å; K247-G249 PolarHBondContact O-N 2.63Å; K247-I250 HydrophobicContact CB-CD1 3.84Å; K247-I250 HydrophobicContact CB-CG1 3.75Å; K247-I250 WeakPolarHBondContact O-CD1 3.18Å; K247-I250 WeakPolarHBondContact O-CG1 3.03Å; K247-Q254 HydrophobicContact CD-CG 4.22Å | ||
| 248 | I | 52 | Low | 78.4 | Confident | 155 Ų | 155 | 71.2 Ų | 71.2 | 80% | 0.795 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 112.3 | 173.1 | -57.5 | 169.9 | 0 | 0 | 0 | 108.1 | Q246 | Q246-I248 PolarHBondContact O-N 3.2Š|
| 249 | G | 56.3 | Low | 78.3 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | 52.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K247 | K247-G249 PolarHBondContact O-N 2.63Š|
| 250 | I | 59.6 | Low | 78.4 | Confident | 68 Ų | 68 | 79.6 Ų | 79.6 | 35% | 0.349 | 41% | 0.405 | S | S | . | . | trans | -71.2 | 133 | -173.6 | -49.2 | -172.5 | 0 | 0 | 0 | 112.5 | K247 Q254 T255 | K247-I250 HydrophobicContact CB-CD1 3.84Å; K247-I250 HydrophobicContact CB-CG1 3.75Å; K247-I250 WeakPolarHBondContact O-CD1 3.18Å; K247-I250 WeakPolarHBondContact O-CG1 3.03Å; I250-Q254 HydrophobicContact CG2-CB 3.58Å; I250-Q254 HydrophobicContact CG2-CG 3.8Å; I250-T255 VanDerWaalsContact CG2-OG1 3.26Å; I250-T255 WeakPolarHBondContact CG2-OG1 3.01Å | ||
| 251 | S | 70.6 | Confident | 78.4 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | trans | -70.4 | 142.5 | 165.1 | 172 | 0 | 0 | 0 | 0 | 110.7 | L253 Q254 T255 | S251-L253 PolarHBondContact O-N 3.26Å; S251-Q254 WeakPolarHBondContact O-CA 3.21Å; S251-Q254 WeakPolarHBondContact O-CB 3.41Å; S251-Q254 PolarHBondContact O-N 2.95Å; S251-T255 PolarHBondContact O-N 3.23Å | ||
| 252 | R | 79.1 | Confident | 78.6 | Confident | 210 Ų | 210 | 82.2 Ų | 82.2 | 79% | 0.792 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -47.5 | -38.4 | -179.5 | -65.6 | -173.7 | -175.6 | 176.1 | 0.9 | 113.1 | Q254 T255 Y256 | R252-Q254 PolarHBondContact O-N 3.36Å; R252-T255 WeakPolarHBondContact O-CB 3.32Å; R252-T255 PolarHBondContact O-N 3.16Å; R252-Y256 HydrophobicContact CB-CE2 4.38Å; R252-Y256 WeakPolarHBondContact O-CD2 3.09Å; R252-Y256 PolarHBondContact O-N 3Å; R252-Y256 VanDerWaalsContact O-N 3.12Å |
| 253 | L | 80.8 | Confident | 78.9 | Confident | 123 Ų | 123 | 83.6 Ų | 83.6 | 64% | 0.644 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 176.2 | -179.9 | 62.7 | 0 | 0 | 0 | 112.6 | S251 T255 Y256 V257 | S251-L253 PolarHBondContact O-N 3.26Å; L253-T255 VanDerWaalsContact C-N 3.29Å; L253-T255 PolarHBondContact O-N 2.85Å; L253-Y256 PolarHBondContact O-N 2.7Å; L253-V257 WeakPolarHBondContact O-CG2 3.21Å; L253-V257 PolarHBondContact O-N 3.12Å |
| 254 | Q | 79.3 | Confident | 79.2 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.9 | -29.9 | -178.3 | -175.2 | -179.4 | 30.5 | 0 | 0 | 111.8 | K247 I250 S251 R252 T258 | K247-Q254 HydrophobicContact CD-CG 4.22Å; I250-Q254 HydrophobicContact CG2-CB 3.58Å; I250-Q254 HydrophobicContact CG2-CG 3.8Å; S251-Q254 WeakPolarHBondContact O-CA 3.21Å; S251-Q254 WeakPolarHBondContact O-CB 3.41Å; S251-Q254 PolarHBondContact O-N 2.95Å; R252-Q254 PolarHBondContact O-N 3.36Å; Q254-T258 WeakPolarHBondContact O-CB 3.16Å; Q254-T258 PolarHBondContact O-N 2.95Å; Q254-T258 PolarHBondContact O-OG1 2.8Å |
| 255 | T | 84.1 | Confident | 79.6 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 168.7 | -59.2 | 0 | 0 | 0 | 0 | 111 | I250 S251 R252 L253 V257 T258 Y259 | I250-T255 VanDerWaalsContact CG2-OG1 3.26Å; I250-T255 WeakPolarHBondContact CG2-OG1 3.01Å; S251-T255 PolarHBondContact O-N 3.23Å; R252-T255 WeakPolarHBondContact O-CB 3.32Å; R252-T255 PolarHBondContact O-N 3.16Å; L253-T255 VanDerWaalsContact C-N 3.29Å; L253-T255 PolarHBondContact O-N 2.85Å; T255-V257 PolarHBondContact O-N 2.91Å; T255-T258 WeakPolarHBondContact O-CB 3.3Å; T255-T258 PolarHBondContact O-N 3.36Å; T255-T258 VanDerWaalsContact O-N 3.14Å; T255-Y259 HydrophobicContact CG2-CD2 3.77Å; T255-Y259 HydrophobicContact CG2-CE2 3.42Å; T255-Y259 VanDerWaalsContact CG2-CE2 3.42Å; T255-Y259 VanDerWaalsContact O-CD2 3.25Å; T255-Y259 WeakPolarHBondContact O-CD2 3.3Å; T255-Y259 PolarHBondContact O-N 3.29Å |
| 256 | Y | 88.4 | Confident | 80.4 | Confident | 165 Ų | 165 | 87.1 Ų | 87.1 | 65% | 0.647 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 176.6 | -69 | -57.7 | 0 | 0 | 0 | 112.3 | R252 L253 T258 Y259 F260 | R252-Y256 HydrophobicContact CB-CE2 4.38Å; R252-Y256 WeakPolarHBondContact O-CD2 3.09Å; R252-Y256 PolarHBondContact O-N 3Å; R252-Y256 VanDerWaalsContact O-N 3.12Å; L253-Y256 PolarHBondContact O-N 2.7Å; Y256-T258 VanDerWaalsContact C-N 3.28Å; Y256-T258 PolarHBondContact O-N 3.23Å; Y256-Y259 PolarHBondContact O-N 3.14Å; Y256-F260 WeakPolarHBondContact O-CB 3.21Å; Y256-F260 PolarHBondContact O-N 2.96Å |
| 257 | V | 87.3 | Confident | 81.7 | Confident | 75 Ų | 75 | 88.9 Ų | 88.9 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 111 | L253 T255 F260 V261 | L253-V257 WeakPolarHBondContact O-CG2 3.21Å; L253-V257 PolarHBondContact O-N 3.12Å; T255-V257 PolarHBondContact O-N 2.91Å; V257-F260 PolarHBondContact O-N 3.18Å; V257-V261 HydrophobicContact CG1-CG2 4.39Å; V257-V261 VanDerWaalsContact O-CG2 3.31Å; V257-V261 WeakPolarHBondContact O-CG2 3.16Å; V257-V261 PolarHBondContact O-N 2.98Å |
| 258 | T | 87.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 88 Ų | 88 | 7% | 0.074 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | V240 A244 Q254 T255 Y256 F260 V261 R262 | V240-T258 HydrophobicContact CG1-CG2 4.09Å; A244-T258 HydrophobicContact CB-CG2 3.85Å; Q254-T258 WeakPolarHBondContact O-CB 3.16Å; Q254-T258 PolarHBondContact O-N 2.95Å; Q254-T258 PolarHBondContact O-OG1 2.8Å; T255-T258 WeakPolarHBondContact O-CB 3.3Å; T255-T258 PolarHBondContact O-N 3.36Å; T255-T258 VanDerWaalsContact O-N 3.14Å; Y256-T258 VanDerWaalsContact C-N 3.28Å; Y256-T258 PolarHBondContact O-N 3.23Å; T258-F260 VanDerWaalsContact C-N 3.35Å; T258-V261 PolarHBondContact O-N 3.45Å; T258-R262 WeakPolarHBondContact O-CG 3.33Å; T258-R262 PolarHBondContact O-N 3.24Å |
| 259 | Y | 90.8 | Very high | 84.8 | Confident | 140 Ų | 140 | 82.2 Ų | 82.2 | 55% | 0.549 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 175.3 | -74.6 | -61.7 | 0 | 0 | 0 | 112.8 | T255 Y256 R262 A263 | T255-Y259 HydrophobicContact CG2-CD2 3.77Å; T255-Y259 HydrophobicContact CG2-CE2 3.42Å; T255-Y259 VanDerWaalsContact CG2-CE2 3.42Å; T255-Y259 VanDerWaalsContact O-CD2 3.25Å; T255-Y259 WeakPolarHBondContact O-CD2 3.3Å; T255-Y259 PolarHBondContact O-N 3.29Å; Y256-Y259 PolarHBondContact O-N 3.14Å; Y259-R262 VanDerWaalsContact CE1-NH1 3.28Å; Y259-R262 WeakPolarHBondContact O-CB 3.47Å; Y259-R262 PolarHBondContact O-N 3.21Å; Y259-A263 PolarHBondContact O-N 3.41Å |
| 260 | F | 92.5 | Very high | 86.6 | Confident | 134 Ų | 134 | 81.6 Ų | 81.6 | 59% | 0.588 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.1 | -48.4 | 175.2 | 175.3 | -99.3 | 0 | 0 | 0 | 111.7 | Y256 V257 T258 R262 A263 M264 | Y256-F260 WeakPolarHBondContact O-CB 3.21Å; Y256-F260 PolarHBondContact O-N 2.96Å; V257-F260 PolarHBondContact O-N 3.18Å; T258-F260 VanDerWaalsContact C-N 3.35Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 3.36Å; F260-A263 PolarHBondContact O-N 2.74Å; F260-M264 HydrophobicContact CE1-SD 4.22Å; F260-M264 HydrophobicContact CZ-SD 4.42Å; F260-M264 WeakPolarHBondContact O-CB 3.19Å; F260-M264 PolarHBondContact O-N 2.77Å |
| 261 | V | 90.1 | Very high | 88.1 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 179.3 | -178 | 0 | 0 | 0 | 0 | 111.7 | V240 V257 T258 M264 S265 | V240-V261 HydrophobicContact CG2-CB 4.39Å; V240-V261 HydrophobicContact CG2-CG1 3.5Å; V257-V261 HydrophobicContact CG1-CG2 4.39Å; V257-V261 VanDerWaalsContact O-CG2 3.31Å; V257-V261 WeakPolarHBondContact O-CG2 3.16Å; V257-V261 PolarHBondContact O-N 2.98Å; T258-V261 PolarHBondContact O-N 3.45Å; V261-M264 PolarHBondContact O-N 2.85Å; V261-S265 PolarHBondContact O-N 2.8Å; V261-S265 PolarHBondContact O-OG 2.89Å |
| 262 | R | 92.1 | Very high | 89.1 | Confident | 45 Ų | 45 | 77.9 Ų | 77.9 | 17% | 0.17 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 170.6 | -74.8 | 172.6 | 171.4 | 146.5 | 1.8 | 111.5 | L237 V240 E241 T258 Y259 F260 M264 S265 V266 | L237-R262 HydrophobicContact CD1-CB 4.36Å; L237-R262 HydrophobicContact CD1-CG 4.06Å; V240-R262 HydrophobicContact CG1-CG 3.75Å; E241-R262 VanDerWaalsContact CD-NH2 3.32Å; E241-R262 IonicContact OE1-CZ 3.51Å; E241-R262 IonicContact OE1-NE 2.62Å; E241-R262 PolarHBondContact OE1-NE 2.91Å; E241-R262 IonicContact OE1-NH2 3.32Å; E241-R262 PolarHBondContact OE1-NH2 3.49Å; E241-R262 IonicContact OE2-CZ 2.82Å; E241-R262 IonicContact OE2-NH2 3.76Å; E241-R262 PolarHBondContact OE2-NH2 2.81Å; T258-R262 WeakPolarHBondContact O-CG 3.33Å; T258-R262 PolarHBondContact O-N 3.24Å; Y259-R262 VanDerWaalsContact CE1-NH1 3.28Å; Y259-R262 WeakPolarHBondContact O-CB 3.47Å; Y259-R262 PolarHBondContact O-N 3.21Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 3.36Å; R262-M264 VanDerWaalsContact C-N 3.29Å; R262-M264 PolarHBondContact O-N 3Å; R262-S265 WeakPolarHBondContact O-CB 3.42Å; R262-S265 PolarHBondContact O-N 2.83Å; R262-S265 VanDerWaalsContact O-N 3.12Å; R262-V266 PolarHBondContact O-N 3.46Å |
| 263 | A | 92.9 | Very high | 89.7 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y259 F260 S265 V266 L267 | Y259-A263 PolarHBondContact O-N 3.41Å; F260-A263 PolarHBondContact O-N 2.74Å; A263-S265 VanDerWaalsContact C-N 3.3Å; A263-S265 PolarHBondContact O-N 2.91Å; A263-V266 PolarHBondContact O-N 3.11Å; A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.3Å; A263-L267 WeakPolarHBondContact O-CG 3.27Å; A263-L267 PolarHBondContact O-N 3.3Å |
| 264 | M | 91 | Very high | 90.2 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 41% | 0.409 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 176.7 | -167.7 | 168 | 73.3 | 0 | 0 | 112.7 | F260 V261 R262 V266 L267 M268 | F260-M264 HydrophobicContact CE1-SD 4.22Å; F260-M264 HydrophobicContact CZ-SD 4.42Å; F260-M264 WeakPolarHBondContact O-CB 3.19Å; F260-M264 PolarHBondContact O-N 2.77Å; V261-M264 PolarHBondContact O-N 2.85Å; R262-M264 VanDerWaalsContact C-N 3.29Å; R262-M264 PolarHBondContact O-N 3Å; M264-V266 VanDerWaalsContact C-N 3.33Å; M264-V266 PolarHBondContact O-N 3.08Å; M264-L267 PolarHBondContact O-N 2.94Å; M264-M268 WeakPolarHBondContact O-CB 3.45Å; M264-M268 VanDerWaalsContact O-CG 3.31Å; M264-M268 WeakPolarHBondContact O-CG 3.46Å; M264-M268 PolarHBondContact O-N 2.96Å |
| 265 | S | 90.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.063 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 177.1 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | V261 R262 A263 | V261-S265 PolarHBondContact O-N 2.8Å; V261-S265 PolarHBondContact O-OG 2.89Å; R262-S265 WeakPolarHBondContact O-CB 3.42Å; R262-S265 PolarHBondContact O-N 2.83Å; R262-S265 VanDerWaalsContact O-N 3.12Å; A263-S265 VanDerWaalsContact C-N 3.3Å; A263-S265 PolarHBondContact O-N 2.91Å |
| 266 | V | 93 | Very high | 91.2 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 50% | 0.497 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75 | -42.8 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | R262 A263 M264 M268 I269 P270 | R262-V266 PolarHBondContact O-N 3.46Å; A263-V266 PolarHBondContact O-N 3.11Å; M264-V266 VanDerWaalsContact C-N 3.33Å; M264-V266 PolarHBondContact O-N 3.08Å; V266-M268 PolarHBondContact O-N 2.88Å; V266-I269 WeakPolarHBondContact O-CB 3.33Å; V266-I269 WeakPolarHBondContact O-CG1 3.33Å; V266-I269 PolarHBondContact O-N 3.24Å; V266-I269 VanDerWaalsContact O-N 3.12Å; V266-P270 WeakPolarHBondContact O-CD 3.36Å |
| 267 | L | 92.8 | Very high | 91.4 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -24.6 | 177.8 | -71.6 | 171.1 | 0 | 0 | 0 | 113.1 | A263 M264 I269 P270 | A263-L267 WeakPolarHBondContact O-CB 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.3Å; A263-L267 WeakPolarHBondContact O-CG 3.27Å; A263-L267 PolarHBondContact O-N 3.3Å; M264-L267 PolarHBondContact O-N 2.94Å; L267-I269 PolarHBondContact O-N 2.66Å; L267-P270 VanDerWaalsContact O-CD 3.22Å; L267-P270 WeakPolarHBondContact O-CD 3.17Å; L267-P270 VanDerWaalsContact O-CG 3.27Å; L267-P270 WeakPolarHBondContact O-CG 3.25Å |
| 268 | M | 89.7 | Confident | 91.7 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.7 | -18.1 | 174.9 | -85.9 | -68.4 | 166.9 | 0 | 0 | 113.6 | M264 V266 V271 A272 | M264-M268 WeakPolarHBondContact O-CB 3.45Å; M264-M268 VanDerWaalsContact O-CG 3.31Å; M264-M268 WeakPolarHBondContact O-CG 3.46Å; M264-M268 PolarHBondContact O-N 2.96Å; V266-M268 PolarHBondContact O-N 2.88Å; M268-V271 PolarHBondContact O-N 3.28Å; M268-V271 HydrophobicContact SD-CB 4.3Å; M268-V271 HydrophobicContact SD-CG1 4.33Å; M268-A272 VanDerWaalsContact O-CB 3.25Å; M268-A272 WeakPolarHBondContact O-CB 3.4Å; M268-A272 PolarHBondContact O-N 2.85Å |
| 269 | I | 93.5 | Very high | 92.1 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -55.4 | 178.8 | -59.7 | 172.4 | 0 | 0 | 0 | 111.8 | P229 I230 V266 L267 V271 A272 A273 | P229-I269 HydrophobicContact CB-CG2 4.13Å; I230-I269 HydrophobicContact CG1-CG2 4.08Å; V266-I269 WeakPolarHBondContact O-CB 3.33Å; V266-I269 WeakPolarHBondContact O-CG1 3.33Å; V266-I269 PolarHBondContact O-N 3.24Å; V266-I269 VanDerWaalsContact O-N 3.12Å; L267-I269 PolarHBondContact O-N 2.66Å; I269-V271 VanDerWaalsContact C-N 3.27Å; I269-V271 PolarHBondContact O-N 3.48Å; I269-A272 WeakPolarHBondContact O-CB 3.3Å; I269-A272 PolarHBondContact O-N 3.39Å; I269-A273 PolarHBondContact O-N 2.77Å |
| 270 | P | 93.1 | Very high | 92.2 | Very high | 65 Ų | 65 | 45.8 Ų | 45.8 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 177.7 | 24.2 | -35.1 | 0 | 0 | 0 | 112.5 | V266 L267 A273 T274 | V266-P270 WeakPolarHBondContact O-CD 3.36Å; L267-P270 VanDerWaalsContact O-CD 3.22Å; L267-P270 WeakPolarHBondContact O-CD 3.17Å; L267-P270 VanDerWaalsContact O-CG 3.27Å; L267-P270 WeakPolarHBondContact O-CG 3.25Å; P270-A273 PolarHBondContact O-N 3.38Å; P270-T274 WeakPolarHBondContact O-CG2 3.22Å; P270-T274 PolarHBondContact O-N 3.05Å |
| 271 | V | 91.8 | Very high | 92.3 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | M268 I269 A273 T274 W283 | M268-V271 PolarHBondContact O-N 3.28Å; M268-V271 HydrophobicContact SD-CB 4.3Å; M268-V271 HydrophobicContact SD-CG1 4.33Å; I269-V271 VanDerWaalsContact C-N 3.27Å; I269-V271 PolarHBondContact O-N 3.48Å; V271-A273 PolarHBondContact O-N 2.91Å; V271-T274 PolarHBondContact O-N 3Å; V271-T274 PolarHBondContact O-OG1 3.02Å; V271-W283 HydrophobicContact CG1-CH2 4.49Å |
| 272 | A | 90.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -33.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P229 M268 I269 T274 V275 V280 W283 | P229-A272 HydrophobicContact CB-CB 3.84Å; P229-A272 HydrophobicContact CG-CB 4.25Å; M268-A272 VanDerWaalsContact O-CB 3.25Å; M268-A272 WeakPolarHBondContact O-CB 3.4Å; M268-A272 PolarHBondContact O-N 2.85Å; I269-A272 WeakPolarHBondContact O-CB 3.3Å; I269-A272 PolarHBondContact O-N 3.39Å; A272-T274 PolarHBondContact O-N 3Å; A272-V275 VanDerWaalsContact O-CG2 3.31Å; A272-V275 WeakPolarHBondContact O-CG2 3.37Å; A272-V275 PolarHBondContact O-N 2.83Å; A272-V280 HydrophobicContact CB-CG1 4.19Å; A272-V280 HydrophobicContact CB-CG2 4.26Å; A272-V280 WeakPolarHBondContact O-CG2 3.38Å; A272-W283 HydrophobicContact CB-CE3 4.04Å; A272-W283 HydrophobicContact CB-CZ3 3.83Å |
| 273 | A | 91.4 | Very high | 92.8 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 13% | 0.132 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.6 | -15.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | P222 W226 P229 I269 P270 V271 | P222-A273 WeakPolarHBondContact CB-O 3.25Å; W226-A273 HydrophobicContact CD2-CB 4.27Å; W226-A273 HydrophobicContact CZ2-CB 4.22Å; P229-A273 HydrophobicContact CB-CB 4.29Å; P229-A273 HydrophobicContact CG-CB 4.02Å; I269-A273 PolarHBondContact O-N 2.77Å; P270-A273 PolarHBondContact O-N 3.38Å; V271-A273 PolarHBondContact O-N 2.91Å |
| 274 | T | 91.3 | Very high | 92.9 | Very high | 104 Ų | 104 | 35.8 Ų | 35.8 | 64% | 0.638 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -97.2 | -11.3 | -179.6 | 62 | 0 | 0 | 0 | 0 | 114.4 | P270 V271 A272 | P270-T274 WeakPolarHBondContact O-CG2 3.22Å; P270-T274 PolarHBondContact O-N 3.05Å; V271-T274 PolarHBondContact O-N 3Å; V271-T274 PolarHBondContact O-OG1 3.02Å; A272-T274 PolarHBondContact O-N 3Å |
| 275 | V | 91.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -102.4 | 157.7 | -176 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | A272 I279 V280 W283 | A272-V275 VanDerWaalsContact O-CG2 3.31Å; A272-V275 WeakPolarHBondContact O-CG2 3.37Å; A272-V275 PolarHBondContact O-N 2.83Å; V275-I279 HydrophobicContact CB-CD1 4.32Å; V275-I279 HydrophobicContact CG2-CB 4.37Å; V275-I279 HydrophobicContact CG2-CG2 4.45Å; V275-V280 HydrophobicContact CG2-CG2 3.61Å; V275-W283 HydrophobicContact CG2-CH2 4.06Å; V275-W283 HydrophobicContact CG2-CZ3 4.08Å |
| 276 | P | 93.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | trans | -51.3 | 142.1 | 175.2 | -30.1 | 35.6 | 0 | 0 | 0 | 113.4 | T220 S278 I279 V280 | T220-P276 WeakPolarHBondContact O-CB 3.34Å; P276-S278 PolarHBondContact O-N 2.67Å; P276-S278 VanDerWaalsContact O-N 3.16Å; P276-I279 HydrophobicContact CB-CD1 4.44Å; P276-I279 HydrophobicContact CB-CG1 4.37Å; P276-I279 HydrophobicContact CG-CD1 4.25Å; P276-I279 WeakPolarHBondContact O-CB 3.4Å; P276-I279 PolarHBondContact O-N 3.5Å; P276-V280 PolarHBondContact O-N 3.43Å | ||
| 277 | S | 92.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -28.4 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | L219 A221 D223 I279 V280 L281 | L219-S277 PolarHBondContact O-N 3.28Å; A221-S277 WeakPolarHBondContact O-CB 3.38Å; A221-S277 PolarHBondContact O-N 3.48Å; A221-S277 PolarHBondContact O-OG 2.75Å; D223-S277 PolarHBondContact N-OG 3.4Å; S277-I279 VanDerWaalsContact C-N 3.3Å; S277-I279 PolarHBondContact O-N 3.44Å; S277-V280 PolarHBondContact O-N 2.63Å; S277-L281 VanDerWaalsContact O-CB 3.23Å; S277-L281 WeakPolarHBondContact O-CB 3.27Å; S277-L281 PolarHBondContact O-N 3.02Å |
| 278 | S | 93.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.6 | -43.4 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | S192 L219 P276 Y282 | S192-S278 PolarHBondContact OG-OG 3Å; L219-S278 WeakPolarHBondContact O-CB 3.47Å; L219-S278 PolarHBondContact O-N 2.75Å; L219-S278 PolarHBondContact O-OG 3.28Å; P276-S278 PolarHBondContact O-N 2.67Å; P276-S278 VanDerWaalsContact O-N 3.16Å; S278-Y282 PolarHBondContact O-N 3.47Å |
| 279 | I | 94.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.5 | -43.6 | -178.9 | -54.2 | 179.9 | 0 | 0 | 0 | 109.8 | L188 R189 V275 P276 S277 L281 Y282 W283 | L188-I279 HydrophobicContact CB-CG1 3.88Å; R189-I279 HydrophobicContact CB-CD1 3.59Å; R189-I279 HydrophobicContact CG-CD1 4.01Å; V275-I279 HydrophobicContact CB-CD1 4.32Å; V275-I279 HydrophobicContact CG2-CB 4.37Å; V275-I279 HydrophobicContact CG2-CG2 4.45Å; P276-I279 HydrophobicContact CB-CD1 4.44Å; P276-I279 HydrophobicContact CB-CG1 4.37Å; P276-I279 HydrophobicContact CG-CD1 4.25Å; P276-I279 WeakPolarHBondContact O-CB 3.4Å; P276-I279 PolarHBondContact O-N 3.5Å; S277-I279 VanDerWaalsContact C-N 3.3Å; S277-I279 PolarHBondContact O-N 3.44Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 3.39Å; I279-Y282 WeakPolarHBondContact O-CB 3.43Å; I279-Y282 PolarHBondContact O-N 3.48Å; I279-W283 HydrophobicContact CG2-CD2 4.13Å; I279-W283 VanDerWaalsContact CG2-CE2 3.42Å; I279-W283 HydrophobicContact CG2-CH2 4.33Å; I279-W283 HydrophobicContact CG2-CZ2 3.55Å; I279-W283 VanDerWaalsContact O-CD1 3.32Å; I279-W283 VanDerWaalsContact O-CG 3.27Å; I279-W283 PolarHBondContact O-N 2.9Å |
| 280 | V | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.9 | -38.9 | 178.9 | -168.6 | 0 | 0 | 0 | 0 | 111 | L228 P229 V232 A272 V275 P276 S277 W283 L284 | L228-V280 HydrophobicContact CB-CB 4.39Å; L228-V280 HydrophobicContact CB-CG1 3.71Å; P229-V280 HydrophobicContact CG-CG1 4.39Å; V232-V280 HydrophobicContact CG2-CG1 3.81Å; A272-V280 HydrophobicContact CB-CG1 4.19Å; A272-V280 HydrophobicContact CB-CG2 4.26Å; A272-V280 WeakPolarHBondContact O-CG2 3.38Å; V275-V280 HydrophobicContact CG2-CG2 3.61Å; P276-V280 PolarHBondContact O-N 3.43Å; S277-V280 PolarHBondContact O-N 2.63Å; V280-W283 PolarHBondContact O-N 3.06Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 PolarHBondContact O-N 3.47Å |
| 281 | L | 94.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.3 | -177.6 | 67.2 | 0 | 0 | 0 | 111.1 | W83 I86 L87 F216 L219 S277 I279 L284 C285 | W83-L281 HydrophobicContact CB-CD2 3.77Å; I86-L281 HydrophobicContact CD1-CD2 4.47Å; I86-L281 HydrophobicContact CG2-CD2 4.48Å; L87-L281 HydrophobicContact CD1-CD1 3.77Å; L87-L281 HydrophobicContact CD1-CD2 3.85Å; L87-L281 HydrophobicContact CD1-CG 3.71Å; F216-L281 HydrophobicContact CE2-CD1 4.2Å; F216-L281 HydrophobicContact CE2-CD2 4.2Å; F216-L281 HydrophobicContact CZ-CD1 4.11Å; L219-L281 HydrophobicContact CD2-CD2 4.09Å; S277-L281 VanDerWaalsContact O-CB 3.23Å; S277-L281 WeakPolarHBondContact O-CB 3.27Å; S277-L281 PolarHBondContact O-N 3.02Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 3.39Å; L281-L284 PolarHBondContact O-N 3.22Å; L281-C285 WeakPolarHBondContact O-CB 3.41Å; L281-C285 PolarHBondContact O-N 3.18Å |
| 282 | Y | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.1 | -50.2 | 171.2 | 164.2 | -108.6 | 0 | 0 | 0 | 111.1 | T90 W181 M184 L188 S278 I279 L284 C285 S286 | T90-Y282 HydrophobicContact CG2-CD2 4.12Å; T90-Y282 HydrophobicContact CG2-CE2 4.01Å; T90-Y282 VanDerWaalsContact OG1-CD2 3.25Å; T90-Y282 WeakPolarHBondContact OG1-CD2 3.48Å; W181-Y282 WeakPolarHBondContact CA-OH 3.44Å; W181-Y282 AromaticContact CD1-CE1 3.55Å; W181-Y282 AromaticContact CD1-CZ 3.92Å; W181-Y282 HydrophobicContact CG-CE1 4.26Å; W181-Y282 AromaticContact NE1-CE1 3.9Å; M184-Y282 HydrophobicContact CB-CE1 3.88Å; M184-Y282 HydrophobicContact CB-CE2 3.99Å; M184-Y282 HydrophobicContact CG-CE2 4.35Å; L188-Y282 HydrophobicContact CD1-CD1 4.09Å; L188-Y282 HydrophobicContact CD1-CD2 4.31Å; L188-Y282 HydrophobicContact CD1-CG 3.65Å; S278-Y282 PolarHBondContact O-N 3.47Å; I279-Y282 WeakPolarHBondContact O-CB 3.43Å; I279-Y282 PolarHBondContact O-N 3.48Å; Y282-L284 VanDerWaalsContact C-N 3.31Å; Y282-L284 PolarHBondContact O-N 2.86Å; Y282-C285 PolarHBondContact O-N 2.97Å; Y282-S286 WeakPolarHBondContact O-CB 3.3Å; Y282-S286 PolarHBondContact O-N 2.9Å |
| 283 | W | 95.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 8% | 0.076 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 178 | -65.6 | -7.4 | 0 | 0 | 0 | 112.1 | W181 S185 V232 V271 A272 V275 I279 V280 S286 S287 | W181-W283 AromaticContact CE2-CD1 3.53Å; W181-W283 AromaticContact CE2-CE2 3.97Å; W181-W283 AromaticContact CE2-NE1 3.38Å; W181-W283 AromaticContact CH2-CE2 3.86Å; W181-W283 HydrophobicContact CH2-CH2 4.48Å; W181-W283 AromaticContact CH2-CZ2 3.8Å; W181-W283 HydrophobicContact CH2-CZ2 3.8Å; W181-W283 AromaticContact CH2-NE1 4Å; W181-W283 AromaticContact CZ2-CD1 3.6Å; W181-W283 AromaticContact CZ2-CD2 3.75Å; W181-W283 HydrophobicContact CZ2-CD2 3.75Å; W181-W283 AromaticContact CZ2-CE2 3.26Å; W181-W283 AromaticContact CZ2-CG 3.95Å; W181-W283 HydrophobicContact CZ2-CG 3.95Å; W181-W283 HydrophobicContact CZ2-CH2 4.5Å; W181-W283 AromaticContact CZ2-CZ2 3.71Å; W181-W283 HydrophobicContact CZ2-CZ2 3.71Å; W181-W283 AromaticContact CZ2-NE1 3.18Å; W181-W283 AromaticContact NE1-CD1 3.14Å; W181-W283 AromaticContact NE1-CG 3.87Å; W181-W283 AromaticContact NE1-NE1 3.5Å; S185-W283 PolarHBondContact OG-NE1 2.94Å; V232-W283 HydrophobicContact CG1-CB 4.23Å; V232-W283 HydrophobicContact CG2-CB 4.19Å; V271-W283 HydrophobicContact CG1-CH2 4.49Å; A272-W283 HydrophobicContact CB-CE3 4.04Å; A272-W283 HydrophobicContact CB-CZ3 3.83Å; V275-W283 HydrophobicContact CG2-CH2 4.06Å; V275-W283 HydrophobicContact CG2-CZ3 4.08Å; I279-W283 HydrophobicContact CG2-CD2 4.13Å; I279-W283 VanDerWaalsContact CG2-CE2 3.42Å; I279-W283 HydrophobicContact CG2-CH2 4.33Å; I279-W283 HydrophobicContact CG2-CZ2 3.55Å; I279-W283 VanDerWaalsContact O-CD1 3.32Å; I279-W283 VanDerWaalsContact O-CG 3.27Å; I279-W283 PolarHBondContact O-N 2.9Å; V280-W283 PolarHBondContact O-N 3.06Å; W283-S286 PolarHBondContact O-N 3.33Å; W283-S287 VanDerWaalsContact O-CB 3.31Å; W283-S287 WeakPolarHBondContact O-CB 3.42Å; W283-S287 PolarHBondContact O-N 3.13Å; W283-S287 PolarHBondContact O-OG 3.12Å; W283-S287 VanDerWaalsContact O-OG 3.12Å |
| 284 | L | 95.3 | Very high | 93.4 | Very high | 32 Ų | 32 | 23.7 Ų | 23.7 | 17% | 0.168 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62 | -51.4 | 179.1 | -175.3 | 67.5 | 0 | 0 | 0 | 111.5 | L228 V232 I235 V280 L281 Y282 S286 S287 F288 | L228-L284 HydrophobicContact CD2-CD2 3.68Å; V232-L284 HydrophobicContact CG2-CB 3.71Å; V232-L284 HydrophobicContact CG2-CD1 3.93Å; V232-L284 HydrophobicContact CG2-CG 4.44Å; I235-L284 HydrophobicContact CD1-CD1 3.6Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 PolarHBondContact O-N 3.47Å; L281-L284 PolarHBondContact O-N 3.22Å; Y282-L284 VanDerWaalsContact C-N 3.31Å; Y282-L284 PolarHBondContact O-N 2.86Å; L284-S286 VanDerWaalsContact C-N 3.31Å; L284-S286 PolarHBondContact O-N 3.45Å; L284-S287 PolarHBondContact O-N 3.13Å; L284-F288 WeakPolarHBondContact O-CB 3.36Å; L284-F288 PolarHBondContact O-N 3.34Å |
| 285 | C | 94.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 21 Ų | 21 | 11% | 0.108 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | L87 T90 L281 Y282 S287 F288 M289 | L87-C285 HydrophobicContact CD1-CB 4.43Å; L87-C285 HydrophobicContact CG-CB 4.33Å; T90-C285 HydrophobicContact CG2-CB 4.05Å; L281-C285 WeakPolarHBondContact O-CB 3.41Å; L281-C285 PolarHBondContact O-N 3.18Å; Y282-C285 PolarHBondContact O-N 2.97Å; C285-S287 PolarHBondContact O-N 3.4Å; C285-F288 PolarHBondContact O-N 2.92Å; C285-M289 WeakPolarHBondContact O-CB 3.34Å; C285-M289 WeakPolarHBondContact O-CG 3.35Å; C285-M289 PolarHBondContact O-N 3.43Å |
| 286 | S | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | -179.6 | -158 | 0 | 0 | 0 | 0 | 111.7 | R94 Y282 W283 L284 G290 | R94-S286 PolarHBondContact NE-OG 2.86Å; R94-S286 PolarHBondContact NH2-O 3.27Å; R94-S286 PolarHBondContact NH2-OG 2.66Å; Y282-S286 WeakPolarHBondContact O-CB 3.3Å; Y282-S286 PolarHBondContact O-N 2.9Å; W283-S286 PolarHBondContact O-N 3.33Å; L284-S286 VanDerWaalsContact C-N 3.31Å; L284-S286 PolarHBondContact O-N 3.45Å; S286-G290 PolarHBondContact O-N 3.01Å |
| 287 | S | 94.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 23 Ų | 23 | 8% | 0.077 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 173.1 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | N236 I239 W283 L284 C285 M289 G290 L291 | N236-S287 PolarHBondContact ND2-OG 2.87Å; N236-S287 WeakPolarHBondContact OD1-CB 3.4Å; N236-S287 PolarHBondContact OD1-OG 3.31Å; I239-S287 WeakPolarHBondContact CD1-O 3.37Å; W283-S287 VanDerWaalsContact O-CB 3.31Å; W283-S287 WeakPolarHBondContact O-CB 3.42Å; W283-S287 PolarHBondContact O-N 3.13Å; W283-S287 PolarHBondContact O-OG 3.12Å; W283-S287 VanDerWaalsContact O-OG 3.12Å; L284-S287 PolarHBondContact O-N 3.13Å; C285-S287 PolarHBondContact O-N 3.4Å; S287-M289 VanDerWaalsContact C-N 3.33Å; S287-M289 PolarHBondContact O-N 2.98Å; S287-G290 PolarHBondContact O-N 3.31Å; S287-G290 VanDerWaalsContact O-N 3.14Å; S287-L291 PolarHBondContact O-N 3.38Å |
| 288 | F | 95.1 | Very high | 92.3 | Very high | 116 Ų | 116 | 23.4 Ų | 23.4 | 51% | 0.509 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62 | -41.3 | 176.6 | -174.4 | -96.6 | 0 | 0 | 0 | 112.1 | I235 L284 C285 L291 S292 | I235-F288 HydrophobicContact CD1-CB 4.26Å; I235-F288 HydrophobicContact CD1-CD2 4.22Å; L284-F288 WeakPolarHBondContact O-CB 3.36Å; L284-F288 PolarHBondContact O-N 3.34Å; C285-F288 PolarHBondContact O-N 2.92Å; F288-L291 PolarHBondContact O-N 3.23Å; F288-S292 WeakPolarHBondContact O-CB 3.2Å; F288-S292 PolarHBondContact O-N 2.85Å; F288-S292 PolarHBondContact O-OG 2.85Å |
| 289 | M | 94.1 | Very high | 92 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 17% | 0.167 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 172.6 | -73.6 | -58.3 | -67.8 | 0 | 0 | 111.7 | V91 R94 C285 S287 L291 S292 Q293 | V91-M289 HydrophobicContact CG1-CE 4.11Å; V91-M289 HydrophobicContact CG1-SD 4.4Å; V91-M289 HydrophobicContact CG2-CG 4.19Å; V91-M289 HydrophobicContact CG2-SD 3.91Å; R94-M289 HydrophobicContact CB-CB 4.07Å; R94-M289 HydrophobicContact CB-CE 4.34Å; R94-M289 HydrophobicContact CB-CG 4.37Å; R94-M289 HydrophobicContact CG-CB 4.05Å; C285-M289 WeakPolarHBondContact O-CB 3.34Å; C285-M289 WeakPolarHBondContact O-CG 3.35Å; C285-M289 PolarHBondContact O-N 3.43Å; S287-M289 VanDerWaalsContact C-N 3.33Å; S287-M289 PolarHBondContact O-N 2.98Å; M289-L291 PolarHBondContact O-N 3.16Å; M289-S292 PolarHBondContact O-N 2.92Å; M289-Q293 WeakPolarHBondContact O-CB 3.29Å; M289-Q293 WeakPolarHBondContact O-CG 3.41Å; M289-Q293 PolarHBondContact O-N 3.35Å |
| 290 | G | 91.5 | Very high | 91.4 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S286 S287 N294 | S286-G290 PolarHBondContact O-N 3.01Å; S287-G290 PolarHBondContact O-N 3.31Å; S287-G290 VanDerWaalsContact O-N 3.14Å; G290-N294 WeakPolarHBondContact O-CB 3.13Å; G290-N294 PolarHBondContact O-N 2.85Å |
| 291 | L | 92.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 29.9 Ų | 29.9 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 173.2 | 177.9 | 60.1 | 0 | 0 | 0 | 111 | I235 I239 I242 S287 F288 M289 Q293 N294 L295 | I235-L291 HydrophobicContact CG2-CB 4.33Å; I235-L291 HydrophobicContact CG2-CD2 4.28Å; I239-L291 HydrophobicContact CD1-CB 4.06Å; I239-L291 HydrophobicContact CG1-CB 3.72Å; I239-L291 HydrophobicContact CG1-CD1 3.92Å; I239-L291 HydrophobicContact CG1-CG 4.36Å; I242-L291 HydrophobicContact CD1-CD1 3.62Å; S287-L291 PolarHBondContact O-N 3.38Å; F288-L291 PolarHBondContact O-N 3.23Å; M289-L291 PolarHBondContact O-N 3.16Å; L291-Q293 PolarHBondContact O-N 3.19Å; L291-N294 WeakPolarHBondContact O-CB 3.49Å; L291-N294 PolarHBondContact O-N 2.79Å; L291-N294 VanDerWaalsContact O-N 3.14Å; L291-L295 HydrophobicContact CD1-CD1 4.2Å; L291-L295 HydrophobicContact CD1-CG 4.25Å; L291-L295 HydrophobicContact CG-CD1 4.15Å; L291-L295 WeakPolarHBondContact O-CG 3.42Å; L291-L295 PolarHBondContact O-N 2.84Å |
| 292 | S | 92.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 31.6 Ų | 31.6 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 179 | -60 | 0 | 0 | 0 | 0 | 111.3 | F288 M289 N294 L295 L296 | F288-S292 WeakPolarHBondContact O-CB 3.2Å; F288-S292 PolarHBondContact O-N 2.85Å; F288-S292 PolarHBondContact O-OG 2.85Å; M289-S292 PolarHBondContact O-N 2.92Å; S292-N294 VanDerWaalsContact C-N 3.34Å; S292-N294 PolarHBondContact O-N 2.84Å; S292-L295 PolarHBondContact O-N 2.97Å; S292-L296 WeakPolarHBondContact O-CB 3.47Å; S292-L296 VanDerWaalsContact O-CG 3.23Å; S292-L296 WeakPolarHBondContact O-CG 3.29Å; S292-L296 PolarHBondContact O-N 3.21Å |
| 293 | Q | 90.5 | Very high | 90.1 | Very high | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 174 | -73.3 | 171.5 | -10 | 0 | 0 | 111.8 | R94 T98 L99 M289 L291 L295 L296 L297 | R94-Q293 PolarHBondContact O-NE2 3.46Å; R94-Q293 VanDerWaalsContact O-NE2 3.14Å; T98-Q293 PolarHBondContact OG1-NE2 2.95Å; L99-Q293 HydrophobicContact CD1-CB 4.46Å; L99-Q293 HydrophobicContact CD1-CG 3.84Å; M289-Q293 WeakPolarHBondContact O-CB 3.29Å; M289-Q293 WeakPolarHBondContact O-CG 3.41Å; M289-Q293 PolarHBondContact O-N 3.35Å; L291-Q293 PolarHBondContact O-N 3.19Å; Q293-L295 VanDerWaalsContact C-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.42Å; Q293-L296 PolarHBondContact O-N 3.28Å; Q293-L297 WeakPolarHBondContact O-CB 3.29Å; Q293-L297 WeakPolarHBondContact O-CG 3.21Å; Q293-L297 PolarHBondContact O-N 3.5Å |
| 294 | N | 87.9 | Confident | 89.6 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 178.2 | -165.2 | -98.8 | 0 | 0 | 0 | 111.8 | G290 L291 S292 R298 | G290-N294 WeakPolarHBondContact O-CB 3.13Å; G290-N294 PolarHBondContact O-N 2.85Å; L291-N294 WeakPolarHBondContact O-CB 3.49Å; L291-N294 PolarHBondContact O-N 2.79Å; L291-N294 VanDerWaalsContact O-N 3.14Å; S292-N294 VanDerWaalsContact C-N 3.34Å; S292-N294 PolarHBondContact O-N 2.84Å; N294-R298 VanDerWaalsContact O-CD 3.3Å; N294-R298 WeakPolarHBondContact O-CD 3.38Å; N294-R298 WeakPolarHBondContact O-CG 3.48Å; N294-R298 PolarHBondContact O-N 2.94Å; N294-R298 PolarHBondContact O-NE 3.17Å; N294-R298 VanDerWaalsContact OD1-CZ 3.27Å; N294-R298 PolarHBondContact OD1-NE 2.89Å; N294-R298 PolarHBondContact OD1-NH2 3.27Å |
| 295 | L | 89.1 | Confident | 89.4 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.6 | -38.9 | 176.8 | -68 | 177 | 0 | 0 | 0 | 112.4 | I242 L291 S292 Q293 R298 S299 Y319 I322 | I242-L295 HydrophobicContact CG2-CD2 4.37Å; L291-L295 HydrophobicContact CD1-CD1 4.2Å; L291-L295 HydrophobicContact CD1-CG 4.25Å; L291-L295 HydrophobicContact CG-CD1 4.15Å; L291-L295 WeakPolarHBondContact O-CG 3.42Å; L291-L295 PolarHBondContact O-N 2.84Å; S292-L295 PolarHBondContact O-N 2.97Å; Q293-L295 VanDerWaalsContact C-N 3.31Å; Q293-L295 PolarHBondContact O-N 3.42Å; L295-R298 WeakPolarHBondContact O-CB 3.26Å; L295-R298 PolarHBondContact O-N 3.33Å; L295-S299 PolarHBondContact O-N 3.42Å; L295-Y319 HydrophobicContact CB-CE1 4.19Å; L295-Y319 HydrophobicContact CD2-CD1 4.47Å; L295-Y319 HydrophobicContact CD2-CE1 4.2Å; L295-Y319 PolarHBondContact O-OH 3.32Å; L295-I322 HydrophobicContact CD2-CD1 4.33Å |
| 296 | L | 89.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 42% | 0.419 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 177.7 | -76.1 | 170.3 | 0 | 0 | 0 | 111.2 | S292 Q293 R298 S299 F302 | S292-L296 WeakPolarHBondContact O-CB 3.47Å; S292-L296 VanDerWaalsContact O-CG 3.23Å; S292-L296 WeakPolarHBondContact O-CG 3.29Å; S292-L296 PolarHBondContact O-N 3.21Å; Q293-L296 PolarHBondContact O-N 3.28Å; L296-R298 PolarHBondContact O-N 2.9Å; L296-R298 VanDerWaalsContact O-N 3.13Å; L296-S299 WeakPolarHBondContact O-CB 3.47Å; L296-S299 PolarHBondContact O-N 3.18Å; L296-S299 PolarHBondContact O-OG 3.43Å; L296-F302 HydrophobicContact CB-CD1 4.48Å; L296-F302 WeakPolarHBondContact O-CB 3.35Å |
| 297 | L | 85.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.5 | 178.4 | -73.1 | 165.8 | 0 | 0 | 0 | 113.7 | A102 A103 Q293 F302 R303 I308 | A102-L297 HydrophobicContact CB-CD1 3.58Å; A103-L297 HydrophobicContact CB-CD2 3.87Å; Q293-L297 WeakPolarHBondContact O-CB 3.29Å; Q293-L297 WeakPolarHBondContact O-CG 3.21Å; Q293-L297 PolarHBondContact O-N 3.5Å; L297-F302 HydrophobicContact CD2-CD1 3.83Å; L297-F302 HydrophobicContact CD2-CE1 3.61Å; L297-F302 HydrophobicContact CG-CD1 4.32Å; L297-F302 HydrophobicContact CG-CE1 4.14Å; L297-R303 VanDerWaalsContact O-CD 3.26Å; L297-R303 WeakPolarHBondContact O-CD 3.43Å; L297-R303 WeakPolarHBondContact O-CG 3.26Å; L297-I308 HydrophobicContact CD2-CD1 3.94Å |
| 298 | R | 81.9 | Confident | 88.2 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 4% | 0.038 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -25.1 | 169 | -74.3 | 167.1 | -171.3 | -118.9 | -5.9 | 113 | I242 Q246 N294 L295 L296 P318 | I242-R298 PolarHBondContact O-NH1 3.22Å; I242-R298 VanDerWaalsContact O-NH1 3.14Å; I242-R298 PolarHBondContact O-NH2 3.31Å; Q246-R298 VanDerWaalsContact CD-CZ 3.48Å; Q246-R298 VanDerWaalsContact OE1-NH2 3.13Å; N294-R298 VanDerWaalsContact O-CD 3.3Å; N294-R298 WeakPolarHBondContact O-CD 3.38Å; N294-R298 WeakPolarHBondContact O-CG 3.48Å; N294-R298 PolarHBondContact O-N 2.94Å; N294-R298 PolarHBondContact O-NE 3.17Å; N294-R298 VanDerWaalsContact OD1-CZ 3.27Å; N294-R298 PolarHBondContact OD1-NE 2.89Å; N294-R298 PolarHBondContact OD1-NH2 3.27Å; L295-R298 WeakPolarHBondContact O-CB 3.26Å; L295-R298 PolarHBondContact O-N 3.33Å; L296-R298 PolarHBondContact O-N 2.9Å; L296-R298 VanDerWaalsContact O-N 3.13Å; R298-P318 HydrophobicContact CB-CB 4.37Å |
| 299 | S | 86.3 | Confident | 87.6 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -64.8 | 132.9 | -178.4 | 72.2 | 0 | 0 | 0 | 0 | 110.4 | L295 L296 G301 F302 R303 Y319 | L295-S299 PolarHBondContact O-N 3.42Å; L296-S299 WeakPolarHBondContact O-CB 3.47Å; L296-S299 PolarHBondContact O-N 3.18Å; L296-S299 PolarHBondContact O-OG 3.43Å; S299-G301 VanDerWaalsContact C-N 3.26Å; S299-G301 PolarHBondContact O-N 3.06Å; S299-F302 PolarHBondContact O-N 2.91Å; S299-F302 WeakPolarHBondContact OG-CB 3.36Å; S299-F302 PolarHBondContact OG-N 2.81Å; S299-R303 VanDerWaalsContact O-CG 3.3Å; S299-R303 WeakPolarHBondContact O-CG 3.19Å; S299-R303 PolarHBondContact O-N 2.86Å; S299-Y319 WeakPolarHBondContact CB-OH 3.14Å |
| 300 | P | 82.4 | Confident | 87 | Confident | 71 Ų | 71 | 55 Ų | 55 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -37.3 | -179.1 | 22.2 | -32.1 | 0 | 0 | 0 | 111.7 | R303 Q304 | P300-R303 PolarHBondContact O-N 3.16Å; P300-Q304 WeakPolarHBondContact O-CB 3.37Å; P300-Q304 PolarHBondContact O-N 3.46Å |
| 301 | G | 85 | Confident | 86.5 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S299 R303 Q304 L305 | S299-G301 VanDerWaalsContact C-N 3.26Å; S299-G301 PolarHBondContact O-N 3.06Å; G301-R303 VanDerWaalsContact C-N 3.34Å; G301-R303 PolarHBondContact O-N 3.1Å; G301-Q304 PolarHBondContact O-N 2.97Å; G301-L305 PolarHBondContact O-N 3.3Å |
| 302 | F | 85.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 21% | 0.211 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.4 | -32.8 | 178.4 | -166.7 | -102 | 0 | 0 | 0 | 111.9 | L99 L296 L297 S299 Q304 L305 C306 | L99-F302 HydrophobicContact CD1-CE1 4.35Å; L99-F302 HydrophobicContact CD1-CZ 4.22Å; L99-F302 HydrophobicContact CD2-CZ 4.45Å; L296-F302 HydrophobicContact CB-CD1 4.48Å; L296-F302 WeakPolarHBondContact O-CB 3.35Å; L297-F302 HydrophobicContact CD2-CD1 3.83Å; L297-F302 HydrophobicContact CD2-CE1 3.61Å; L297-F302 HydrophobicContact CG-CD1 4.32Å; L297-F302 HydrophobicContact CG-CE1 4.14Å; S299-F302 PolarHBondContact O-N 2.91Å; S299-F302 WeakPolarHBondContact OG-CB 3.36Å; S299-F302 PolarHBondContact OG-N 2.81Å; F302-Q304 VanDerWaalsContact C-N 3.34Å; F302-L305 HydrophobicContact CD2-CD2 4Å; F302-L305 HydrophobicContact CE2-CD2 4.13Å; F302-L305 WeakPolarHBondContact O-CB 3.44Å; F302-L305 PolarHBondContact O-N 3.21Å; F302-C306 WeakPolarHBondContact CE1-SG 3.45Å; F302-C306 WeakPolarHBondContact O-CB 3.49Å; F302-C306 PolarHBondContact O-N 2.89Å; F302-C306 PolarHBondContact O-SG 3.09Å |
| 303 | R | 86.9 | Confident | 84.6 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 172.7 | -73.4 | 179.9 | 69.7 | 163.1 | -0.6 | 112.3 | L297 S299 P300 G301 C306 R307 I308 P309 D314 | L297-R303 VanDerWaalsContact O-CD 3.26Å; L297-R303 WeakPolarHBondContact O-CD 3.43Å; L297-R303 WeakPolarHBondContact O-CG 3.26Å; S299-R303 VanDerWaalsContact O-CG 3.3Å; S299-R303 WeakPolarHBondContact O-CG 3.19Å; S299-R303 PolarHBondContact O-N 2.86Å; P300-R303 PolarHBondContact O-N 3.16Å; G301-R303 VanDerWaalsContact C-N 3.34Å; G301-R303 PolarHBondContact O-N 3.1Å; R303-C306 CarbonylContact O-C 3.5Å; R303-C306 PolarHBondContact O-N 3.26Å; R303-R307 PolarHBondContact O-N 3.43Å; R303-I308 HydrophobicContact CB-CB 4.16Å; R303-I308 HydrophobicContact CG-CB 4.41Å; R303-I308 HydrophobicContact CG-CD1 4.17Å; R303-I308 PolarHBondContact O-N 3.01Å; R303-P309 PolarHBondContact NH2-O 3.2Å; R303-P309 VanDerWaalsContact NH2-O 3.14Å; R303-D314 VanDerWaalsContact CZ-CG 3.43Å; R303-D314 IonicContact CZ-OD1 2.99Å; R303-D314 VanDerWaalsContact CZ-OD1 3.23Å; R303-D314 IonicContact CZ-OD2 3.98Å; R303-D314 IonicContact NH1-OD1 2.84Å; R303-D314 PolarHBondContact NH1-OD1 3.08Å; R303-D314 IonicContact NH1-OD2 3.11Å; R303-D314 PolarHBondContact NH1-OD2 3.42Å; R303-D314 IonicContact NH2-OD1 3.07Å; R303-D314 PolarHBondContact NH2-OD1 2.88Å; R303-D314 VanDerWaalsContact NH2-OD1 3.07Å; R303-D314 IonicContact NH2-OD2 2.68Å; R303-D314 PolarHBondContact NH2-OD2 3.27Å |
| 304 | Q | 86.8 | Confident | 83.8 | Confident | 158 Ų | 158 | 65.5 Ų | 65.5 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 174.4 | -169.4 | 174 | 15 | 0 | 0 | 111.1 | P300 G301 F302 C306 R307 | P300-Q304 WeakPolarHBondContact O-CB 3.37Å; P300-Q304 PolarHBondContact O-N 3.46Å; G301-Q304 PolarHBondContact O-N 2.97Å; F302-Q304 VanDerWaalsContact C-N 3.34Å; Q304-C306 VanDerWaalsContact C-N 3.33Å; Q304-C306 PolarHBondContact O-N 3.13Å; Q304-R307 PolarHBondContact O-N 3.38Å |
| 305 | L | 89.4 | Confident | 83.2 | Confident | 132 Ų | 132 | 66.1 Ų | 66.1 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.5 | -44.9 | 174.4 | -176.9 | 65.1 | 0 | 0 | 0 | 111.8 | G301 F302 R307 | G301-L305 PolarHBondContact O-N 3.3Å; F302-L305 HydrophobicContact CD2-CD2 4Å; F302-L305 HydrophobicContact CE2-CD2 4.13Å; F302-L305 WeakPolarHBondContact O-CB 3.44Å; F302-L305 PolarHBondContact O-N 3.21Å; L305-R307 VanDerWaalsContact C-N 3.25Å; L305-R307 PolarHBondContact O-N 3.03Å |
| 306 | C | 86.1 | Confident | 82.5 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 29% | 0.291 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.5 | 176.9 | -65.8 | 0 | 0 | 0 | 0 | 114.3 | A103 F302 R303 Q304 I308 | A103-C306 HydrophobicContact CB-CB 4.3Å; F302-C306 WeakPolarHBondContact CE1-SG 3.45Å; F302-C306 WeakPolarHBondContact O-CB 3.49Å; F302-C306 PolarHBondContact O-N 2.89Å; F302-C306 PolarHBondContact O-SG 3.09Å; R303-C306 CarbonylContact O-C 3.5Å; R303-C306 PolarHBondContact O-N 3.26Å; Q304-C306 VanDerWaalsContact C-N 3.33Å; Q304-C306 PolarHBondContact O-N 3.13Å; C306-I308 HydrophobicContact CB-CD1 3.92Å; C306-I308 HydrophobicContact CB-CG1 3.91Å; C306-I308 PolarHBondContact O-N 3.46Å |
| 307 | R | 87.3 | Confident | 82.1 | Confident | 217 Ų | 217 | 71.4 Ų | 71.4 | 82% | 0.819 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.8 | -177.6 | -57.3 | -179.4 | 176.2 | 173 | -1.5 | 113.8 | Y107 R303 Q304 L305 | Y107-R307 WeakPolarHBondContact CD2-O 3.31Å; Y107-R307 WeakPolarHBondContact CE2-O 3.29Å; R303-R307 PolarHBondContact O-N 3.43Å; Q304-R307 PolarHBondContact O-N 3.38Å; L305-R307 VanDerWaalsContact C-N 3.25Å; L305-R307 PolarHBondContact O-N 3.03Å |
| 308 | I | 86.8 | Confident | 81.8 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 125.9 | 175.7 | -62.8 | 171.5 | 0 | 0 | 0 | 108.3 | H106 A110 L297 R303 C306 | H106-I308 HydrophobicContact CB-CD1 3.96Å; A110-I308 HydrophobicContact CB-CG2 3.95Å; L297-I308 HydrophobicContact CD2-CD1 3.94Å; R303-I308 HydrophobicContact CB-CB 4.16Å; R303-I308 HydrophobicContact CG-CB 4.41Å; R303-I308 HydrophobicContact CG-CD1 4.17Å; R303-I308 PolarHBondContact O-N 3.01Å; C306-I308 HydrophobicContact CB-CD1 3.92Å; C306-I308 HydrophobicContact CB-CG1 3.91Å; C306-I308 PolarHBondContact O-N 3.46Å |
| 309 | P | 82.8 | Confident | 81.9 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 142.5 | 177.3 | -24.3 | 33 | 0 | 0 | 0 | 111.7 | Y107 A110 K111 R303 | Y107-P309 HydrophobicContact CD2-CG 4.41Å; Y107-P309 HydrophobicContact CE2-CG 4.18Å; A110-P309 HydrophobicContact CB-CB 4.43Å; K111-P309 HydrophobicContact CG-CG 4.18Å; R303-P309 PolarHBondContact NH2-O 3.2Å; R303-P309 VanDerWaalsContact NH2-O 3.14Å |
| 310 | S | 81.5 | Confident | 81.7 | Confident | 92 Ų | 92 | 82.8 Ų | 82.8 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 138.7 | 169.6 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | N114 D314 | N114-S310 PolarHBondContact ND2-O 3.48Å; N114-S310 PolarHBondContact OD1-O 3.26Å; S310-D314 WeakPolarHBondContact CA-OD2 3.43Å |
| 311 | T | 80.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 82.9 Ų | 82.9 | 4% | 0.043 | 42% | 0.421 | C | S | . | . | trans | -119.7 | 160.9 | 176.1 | 75.4 | 0 | 0 | 0 | 0 | 110.3 | A110 E113 N114 S313 D314 | A110-T311 HydrophobicContact CB-CG2 3.61Å; A110-T311 WeakPolarHBondContact O-CG2 3.39Å; E113-T311 HydrophobicContact CB-CG2 4.14Å; E113-T311 VanDerWaalsContact CD-CB 3.45Å; E113-T311 VanDerWaalsContact CD-OG1 3.28Å; E113-T311 HydrophobicContact CG-CG2 4.49Å; E113-T311 WeakPolarHBondContact OE1-CB 3.23Å; E113-T311 PolarHBondContact OE1-OG1 3.08Å; E113-T311 WeakPolarHBondContact OE2-CB 3.27Å; E113-T311 PolarHBondContact OE2-OG1 3.49Å; N114-T311 WeakPolarHBondContact OD1-CA 3.41Å; T311-S313 PolarHBondContact O-N 2.86Å; T311-D314 PolarHBondContact N-OD2 2.87Å; T311-D314 VanDerWaalsContact O-CB 3.28Å; T311-D314 WeakPolarHBondContact O-CB 3.28Å; T311-D314 PolarHBondContact O-N 2.83Å; T311-D314 VanDerWaalsContact O-N 3.07Å; T311-D314 PolarHBondContact OG1-OD1 3.09Å | ||
| 312 | K | 72.1 | Confident | 81.5 | Confident | 184 Ų | 184 | 82 Ų | 82 | 80% | 0.8 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.5 | -179.7 | -65.2 | -174.9 | 179.3 | -174.2 | 0 | 113.5 | D314 | K312-D314 VanDerWaalsContact C-N 3.29Š|
| 313 | S | 72 | Confident | 81.4 | Confident | 62 Ų | 62 | 86.2 Ų | 86.2 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0.3 | 176.4 | -51.4 | 0 | 0 | 0 | 0 | 112.8 | E113 T311 | E113-S313 WeakPolarHBondContact OE1-CB 3.43Å; E113-S313 PolarHBondContact OE1-N 3.05Å; E113-S313 PolarHBondContact OE1-OG 3.24Å; T311-S313 PolarHBondContact O-N 2.86Å |
| 314 | D | 75 | Confident | 81.2 | Confident | 48 Ų | 48 | 87.1 Ų | 87.1 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | trans | -79.2 | 126.4 | 178.9 | -62.6 | -19.5 | 0 | 0 | 0 | 110.7 | R303 S310 T311 K312 | R303-D314 VanDerWaalsContact CZ-CG 3.43Å; R303-D314 IonicContact CZ-OD1 2.99Å; R303-D314 VanDerWaalsContact CZ-OD1 3.23Å; R303-D314 IonicContact CZ-OD2 3.98Å; R303-D314 IonicContact NH1-OD1 2.84Å; R303-D314 PolarHBondContact NH1-OD1 3.08Å; R303-D314 IonicContact NH1-OD2 3.11Å; R303-D314 PolarHBondContact NH1-OD2 3.42Å; R303-D314 IonicContact NH2-OD1 3.07Å; R303-D314 PolarHBondContact NH2-OD1 2.88Å; R303-D314 VanDerWaalsContact NH2-OD1 3.07Å; R303-D314 IonicContact NH2-OD2 2.68Å; R303-D314 PolarHBondContact NH2-OD2 3.27Å; S310-D314 WeakPolarHBondContact CA-OD2 3.43Å; T311-D314 PolarHBondContact N-OD2 2.87Å; T311-D314 VanDerWaalsContact O-CB 3.28Å; T311-D314 WeakPolarHBondContact O-CB 3.28Å; T311-D314 PolarHBondContact O-N 2.83Å; T311-D314 VanDerWaalsContact O-N 3.07Å; T311-D314 PolarHBondContact OG1-OD1 3.09Å; K312-D314 VanDerWaalsContact C-N 3.29Å | ||
| 315 | S | 75.7 | Confident | 80.9 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | trans | -96.6 | 145.7 | 171 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | T317 D321 | S315-T317 PolarHBondContact O-N 3.5Å; S315-T317 PolarHBondContact OG-N 3.45Å; S315-T317 VanDerWaalsContact OG-N 3.11Å; S315-D321 WeakPolarHBondContact CB-OD2 3.37Å; S315-D321 VanDerWaalsContact OG-CG 3.29Å; S315-D321 PolarHBondContact OG-OD2 2.96Å | ||
| 316 | E | 72.9 | Confident | 80.6 | Confident | 180 Ų | 180 | 78.8 Ų | 78.8 | 84% | 0.841 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -67 | -24.8 | 170.9 | -62.2 | -167.6 | 152.4 | 0 | 0 | 112 | P318 | E316-P318 VanDerWaalsContact C-CD 3.47Å; E316-P318 WeakPolarHBondContact O-CD 3.33Å |
| 317 | T | 80.5 | Confident | 80.5 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 36% | 0.362 | 40% | 0.398 | S | S | . | . | trans | -122.9 | 62.2 | -179.1 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | S315 Y319 K320 D321 | S315-T317 PolarHBondContact O-N 3.5Å; S315-T317 PolarHBondContact OG-N 3.45Å; S315-T317 VanDerWaalsContact OG-N 3.11Å; T317-Y319 VanDerWaalsContact C-N 3.25Å; T317-Y319 PolarHBondContact O-N 2.68Å; T317-Y319 VanDerWaalsContact O-N 3.08Å; T317-K320 HydrophobicContact CG2-CD 4.22Å; T317-K320 PolarHBondContact O-N 3.03Å; T317-D321 PolarHBondContact O-N 3.45Å; T317-D321 VanDerWaalsContact O-N 3.11Å; T317-D321 VanDerWaalsContact O-OD1 3.12Å; T317-D321 PolarHBondContact OG1-OD1 3.02Å | ||
| 318 | P | 80 | Confident | 80.3 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -33.3 | -169.2 | 24.9 | -35.3 | 0 | 0 | 0 | 113.6 | R298 E316 I322 | R298-P318 HydrophobicContact CB-CB 4.37Å; E316-P318 VanDerWaalsContact C-CD 3.47Å; E316-P318 WeakPolarHBondContact O-CD 3.33Å; P318-I322 WeakPolarHBondContact O-CD1 3.49Å; P318-I322 WeakPolarHBondContact O-CG1 3.21Å; P318-I322 PolarHBondContact O-N 2.8Å; P318-I322 VanDerWaalsContact O-N 3.12Å |
| 319 | Y | 84.1 | Confident | 80 | Confident | 109 Ų | 109 | 75.2 Ų | 75.2 | 43% | 0.427 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.9 | -37.1 | 179.7 | -54.5 | -60.5 | 0 | 0 | 0 | 113 | L295 S299 T317 D321 I322 F323 | L295-Y319 HydrophobicContact CB-CE1 4.19Å; L295-Y319 HydrophobicContact CD2-CD1 4.47Å; L295-Y319 HydrophobicContact CD2-CE1 4.2Å; L295-Y319 PolarHBondContact O-OH 3.32Å; S299-Y319 WeakPolarHBondContact CB-OH 3.14Å; T317-Y319 VanDerWaalsContact C-N 3.25Å; T317-Y319 PolarHBondContact O-N 2.68Å; T317-Y319 VanDerWaalsContact O-N 3.08Å; Y319-D321 VanDerWaalsContact C-N 3.31Å; Y319-I322 PolarHBondContact O-N 3.13Å; Y319-F323 PolarHBondContact O-N 3.45Å; Y319-F323 VanDerWaalsContact O-N 3.08Å |
| 320 | K | 81.6 | Confident | 79.9 | Confident | 151 Ų | 151 | 78.5 Ų | 78.5 | 66% | 0.657 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | 175.8 | -66.4 | -173.8 | 179.8 | 178.1 | 0 | 110.3 | T317 F323 A324 | T317-K320 HydrophobicContact CG2-CD 4.22Å; T317-K320 PolarHBondContact O-N 3.03Å; K320-F323 PolarHBondContact O-N 2.83Å; K320-A324 WeakPolarHBondContact O-CB 3.49Å; K320-A324 PolarHBondContact O-N 3.32Å |
| 321 | D | 81.1 | Confident | 79.6 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 179.3 | -66.6 | 16.2 | 0 | 0 | 0 | 111.8 | S315 T317 Y319 F323 A324 A325 | S315-D321 WeakPolarHBondContact CB-OD2 3.37Å; S315-D321 VanDerWaalsContact OG-CG 3.29Å; S315-D321 PolarHBondContact OG-OD2 2.96Å; T317-D321 PolarHBondContact O-N 3.45Å; T317-D321 VanDerWaalsContact O-N 3.11Å; T317-D321 VanDerWaalsContact O-OD1 3.12Å; T317-D321 PolarHBondContact OG1-OD1 3.02Å; Y319-D321 VanDerWaalsContact C-N 3.31Å; D321-F323 VanDerWaalsContact C-N 3.33Å; D321-F323 PolarHBondContact O-N 3.24Å; D321-A324 PolarHBondContact O-N 2.88Å; D321-A325 WeakPolarHBondContact O-CB 3.27Å; D321-A325 PolarHBondContact O-N 3.19Å |
| 322 | I | 82.7 | Confident | 78.7 | Confident | 28 Ų | 28 | 83.2 Ų | 83.2 | 14% | 0.144 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 172.9 | -70 | 163.2 | 0 | 0 | 0 | 110.1 | I242 L295 P318 Y319 A325 F326 | I242-I322 HydrophobicContact CG1-CG2 4.34Å; I242-I322 HydrophobicContact CG2-CD1 4.24Å; L295-I322 HydrophobicContact CD2-CD1 4.33Å; P318-I322 WeakPolarHBondContact O-CD1 3.49Å; P318-I322 WeakPolarHBondContact O-CG1 3.21Å; P318-I322 PolarHBondContact O-N 2.8Å; P318-I322 VanDerWaalsContact O-N 3.12Å; Y319-I322 PolarHBondContact O-N 3.13Å; I322-A325 PolarHBondContact O-N 2.92Å; I322-F326 WeakPolarHBondContact O-CB 3.22Å; I322-F326 PolarHBondContact O-N 3.41Å |
| 323 | F | 82.9 | Confident | 77.9 | Confident | 138 Ų | 138 | 84.8 Ų | 84.8 | 61% | 0.605 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 180 | -174.9 | -105.1 | 0 | 0 | 0 | 112 | Y319 K320 D321 F326 N327 | Y319-F323 PolarHBondContact O-N 3.45Å; Y319-F323 VanDerWaalsContact O-N 3.08Å; K320-F323 PolarHBondContact O-N 2.83Å; D321-F323 VanDerWaalsContact C-N 3.33Å; D321-F323 PolarHBondContact O-N 3.24Å; F323-F326 PolarHBondContact O-N 3.03Å; F323-N327 WeakPolarHBondContact CD1-ND2 3.26Å; F323-N327 WeakPolarHBondContact CE1-ND2 3.49Å; F323-N327 VanDerWaalsContact CZ-ND2 3.27Å; F323-N327 WeakPolarHBondContact CZ-ND2 3.12Å; F323-N327 WeakPolarHBondContact O-CB 3.46Å; F323-N327 VanDerWaalsContact O-CG 3.28Å; F323-N327 PolarHBondContact O-N 3.04Å; F323-N327 PolarHBondContact O-ND2 3.4Å |
| 324 | A | 82.7 | Confident | 76.7 | Confident | 51 Ų | 51 | 93.8 Ų | 93.8 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K320 D321 N327 T328 | K320-A324 WeakPolarHBondContact O-CB 3.49Å; K320-A324 PolarHBondContact O-N 3.32Å; D321-A324 PolarHBondContact O-N 2.88Å; A324-N327 PolarHBondContact O-N 3.42Å; A324-T328 WeakPolarHBondContact O-CB 3.26Å; A324-T328 PolarHBondContact O-N 2.91Å; A324-T328 PolarHBondContact O-OG1 3.2Å |
| 325 | A | 82.3 | Confident | 76.7 | Confident | 37 Ų | 37 | 96.1 Ų | 96.1 | 31% | 0.306 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L245 D321 I322 K329 | L245-A325 HydrophobicContact CD1-CB 4.34Å; L245-A325 HydrophobicContact CD2-CB 4.1Å; D321-A325 WeakPolarHBondContact O-CB 3.27Å; D321-A325 PolarHBondContact O-N 3.19Å; I322-A325 PolarHBondContact O-N 2.92Å; A325-K329 VanDerWaalsContact O-CB 3.26Å; A325-K329 WeakPolarHBondContact O-CB 3.4Å; A325-K329 PolarHBondContact O-N 3.25Å |
| 326 | F | 83.2 | Confident | 76.8 | Confident | 77 Ų | 77 | 99.2 Ų | 99.2 | 34% | 0.338 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 174.7 | -173.2 | -89.8 | 0 | 0 | 0 | 111.3 | I322 F323 T328 K329 F330 | I322-F326 WeakPolarHBondContact O-CB 3.22Å; I322-F326 PolarHBondContact O-N 3.41Å; F323-F326 PolarHBondContact O-N 3.03Å; F326-T328 VanDerWaalsContact C-N 3.34Å; F326-T328 PolarHBondContact O-N 2.94Å; F326-K329 PolarHBondContact O-N 2.82Å; F326-F330 HydrophobicContact CD1-CD2 4.28Å; F326-F330 AromaticContact CD2-CD2 3.66Å; F326-F330 HydrophobicContact CD2-CD2 3.66Å; F326-F330 AromaticContact CD2-CE2 3.75Å; F326-F330 HydrophobicContact CD2-CE2 3.75Å; F326-F330 HydrophobicContact CE1-CD2 4.14Å; F326-F330 AromaticContact CE2-CD2 3.51Å; F326-F330 HydrophobicContact CE2-CD2 3.51Å; F326-F330 AromaticContact CE2-CE2 3.51Å; F326-F330 HydrophobicContact CE2-CE2 3.51Å; F326-F330 HydrophobicContact CG-CD2 4.05Å; F326-F330 AromaticContact CZ-CD2 3.76Å; F326-F330 HydrophobicContact CZ-CD2 3.76Å; F326-F330 HydrophobicContact CZ-CE2 4.15Å; F326-F330 HydrophobicContact CZ-CG 4.39Å; F326-F330 WeakPolarHBondContact O-CD2 3.3Å; F326-F330 PolarHBondContact O-N 3.15Å |
| 327 | N | 82.6 | Confident | 77 | Confident | 42 Ų | 42 | 94.7 Ų | 94.7 | 23% | 0.225 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.5 | -72 | -14.4 | 0 | 0 | 0 | 111.7 | F323 A324 K329 I331 S332 | F323-N327 WeakPolarHBondContact CD1-ND2 3.26Å; F323-N327 WeakPolarHBondContact CE1-ND2 3.49Å; F323-N327 VanDerWaalsContact CZ-ND2 3.27Å; F323-N327 WeakPolarHBondContact CZ-ND2 3.12Å; F323-N327 WeakPolarHBondContact O-CB 3.46Å; F323-N327 VanDerWaalsContact O-CG 3.28Å; F323-N327 PolarHBondContact O-N 3.04Å; F323-N327 PolarHBondContact O-ND2 3.4Å; A324-N327 PolarHBondContact O-N 3.42Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 PolarHBondContact O-N 2.95Å; N327-I331 HydrophobicContact CB-CD1 4.21Å; N327-I331 WeakPolarHBondContact O-CA 3.42Å; N327-I331 VanDerWaalsContact O-CB 3.25Å; N327-I331 WeakPolarHBondContact O-CB 3.25Å; N327-I331 PolarHBondContact O-N 2.72Å; N327-I331 VanDerWaalsContact OD1-CD1 3.25Å; N327-I331 WeakPolarHBondContact OD1-CD1 3.36Å; N327-S332 PolarHBondContact O-N 2.92Å |
| 328 | T | 83.3 | Confident | 76.8 | Confident | 91 Ų | 91 | 96.8 Ų | 96.8 | 56% | 0.558 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | A324 F326 | A324-T328 WeakPolarHBondContact O-CB 3.26Å; A324-T328 PolarHBondContact O-N 2.91Å; A324-T328 PolarHBondContact O-OG1 3.2Å; F326-T328 VanDerWaalsContact C-N 3.34Å; F326-T328 PolarHBondContact O-N 2.94Å |
| 329 | K | 80.6 | Confident | 76.6 | Confident | 66 Ų | 66 | 102 Ų | 102 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.4 | -40.4 | -176.3 | -175.5 | 176.7 | 176.3 | -176.3 | 0 | 113.3 | E241 L245 A325 F326 N327 | E241-K329 IonicContact OE2-NZ 3.85Å; E241-K329 PolarHBondContact OE2-NZ 3.06Å; L245-K329 HydrophobicContact CD2-CD 4.02Å; A325-K329 VanDerWaalsContact O-CB 3.26Å; A325-K329 WeakPolarHBondContact O-CB 3.4Å; A325-K329 PolarHBondContact O-N 3.25Å; F326-K329 PolarHBondContact O-N 2.82Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 PolarHBondContact O-N 2.95Å |
| 330 | F | 79.8 | Confident | 76.1 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 45% | 0.452 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -107.8 | -29.4 | -170.3 | -70 | -73.6 | 0 | 0 | 0 | 114.5 | F326 | F326-F330 HydrophobicContact CD1-CD2 4.28Å; F326-F330 AromaticContact CD2-CD2 3.66Å; F326-F330 HydrophobicContact CD2-CD2 3.66Å; F326-F330 AromaticContact CD2-CE2 3.75Å; F326-F330 HydrophobicContact CD2-CE2 3.75Å; F326-F330 HydrophobicContact CE1-CD2 4.14Å; F326-F330 AromaticContact CE2-CD2 3.51Å; F326-F330 HydrophobicContact CE2-CD2 3.51Å; F326-F330 AromaticContact CE2-CE2 3.51Å; F326-F330 HydrophobicContact CE2-CE2 3.51Å; F326-F330 HydrophobicContact CG-CD2 4.05Å; F326-F330 AromaticContact CZ-CD2 3.76Å; F326-F330 HydrophobicContact CZ-CD2 3.76Å; F326-F330 HydrophobicContact CZ-CE2 4.15Å; F326-F330 HydrophobicContact CZ-CG 4.39Å; F326-F330 WeakPolarHBondContact O-CD2 3.3Å; F326-F330 PolarHBondContact O-N 3.15Å |
| 331 | I | 76.2 | Confident | 75.7 | Confident | 109 Ų | 109 | 98 Ų | 98 | 56% | 0.559 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -46.2 | -175.3 | -55.3 | 179.8 | 0 | 0 | 0 | 111 | N327 R333 | N327-I331 HydrophobicContact CB-CD1 4.21Å; N327-I331 WeakPolarHBondContact O-CA 3.42Å; N327-I331 VanDerWaalsContact O-CB 3.25Å; N327-I331 WeakPolarHBondContact O-CB 3.25Å; N327-I331 PolarHBondContact O-N 2.72Å; N327-I331 VanDerWaalsContact OD1-CD1 3.25Å; N327-I331 WeakPolarHBondContact OD1-CD1 3.36Å; I331-R333 PolarHBondContact O-N 2.97Å |
| 332 | S | 60.6 | Low | 75.3 | Confident | 89 Ų | 89 | 100 Ų | 100 | 62% | 0.622 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1.8 | -174.7 | -162.4 | 0 | 0 | 0 | 0 | 114.8 | N327 | N327-S332 PolarHBondContact O-N 2.92Š|
| 333 | R | 56.8 | Low | 74.7 | Confident | 217 Ų | 217 | 106 Ų | 106 | 82% | 0.819 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7 | 177.8 | -114.2 | -176.3 | -179 | -166.1 | -1.2 | 113.9 | I331 | I331-R333 PolarHBondContact O-N 2.97Š|
| 334 | K | 45.3 | Very low | 73.9 | Confident | 252 Ų | 252 | 103.1 Ų | 103.1 | 100% | 1.096 | 52% | 0.517 | S | S | * | . | trans | -98 | 0 | 164.8 | -88.5 | -174.8 | 172.3 | -175.3 | 0 | 109.4 |
Retrieved 334 of 334 residues in 2056.2 ms
(Link to these results)