| 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 | 36.8 | Very low | 34.3 | Very low | 248 Ų | 248 | 147.5 Ų | 147.5 | 100% | 1.222 | 86% | 0.855 | S | S | * | * | 0 | 151.4 | 0 | -125.6 | 165.5 | -176.5 | 0 | 0 | 107.9 | |||||
| 2 | R | 31.6 | Very low | 34 | Very low | 250 Ų | 250 | 141.8 Ų | 141.8 | 94% | 0.943 | 85% | 0.852 | S | S | * | * | trans | -68.3 | 154.5 | -147 | -71.4 | 169.5 | 176.3 | 172.3 | -1.8 | 117.7 | ||||
| 3 | L | 30.2 | Very low | 34.1 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 83% | 0.827 | 85% | 0.852 | S | S | * | * | trans | -46.8 | 169.6 | 164.2 | -79.1 | 147.2 | 0 | 0 | 0 | 119.2 | ||||
| 4 | N | 31.1 | Very low | 34.7 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 85% | 0.85 | S | S | * | * | trans | 95.1 | 113.3 | 151.7 | -78.4 | 6.9 | 0 | 0 | 0 | 117.8 | ||||
| 5 | S | 34.6 | Very low | 34.4 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 85% | 0.852 | S | S | * | * | 82.2 | 117.9 | 57.9 | 76 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 6 | S | 30.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | trans | 165.5 | 116 | 133.9 | 39.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 7 | T | 35.6 | Very low | 33.9 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 82% | 0.816 | 84% | 0.843 | S | S | * | * | trans | -78.3 | 169.1 | 137.7 | 43.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 8 | P | 44.2 | Very low | 34.5 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | cis | -149.8 | -178.5 | 33.7 | 38.7 | -15.3 | 0 | 0 | 0 | 116.9 | ||||
| 9 | G | 29.5 | Very low | 34.1 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 161.8 | 99.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 10 | T | 33.4 | Very low | 34 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -113.5 | 142.1 | 145.2 | 40.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 11 | P | 39.9 | Very low | 33.9 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | -151.8 | 158.9 | 100.5 | 36.2 | -18.2 | 0 | 0 | 0 | 114.7 | |||||
| 12 | G | 30.1 | Very low | 33.6 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 149.2 | 88.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 13 | T | 35.2 | Very low | 33.5 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -107 | 141.4 | 143.3 | 41.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 14 | P | 42.8 | Very low | 33.5 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -151.1 | 156.3 | 88 | 37.5 | -19.4 | 0 | 0 | 0 | 115 | |||||
| 15 | A | 30.6 | Very low | 33.4 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | 160.6 | 127.7 | 127.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 16 | A | 31.4 | Very low | 33.1 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -99.3 | 149.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 17 | D | 29.2 | Very low | 33.1 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | 71.2 | 164.2 | 139.3 | -95 | -2.3 | 0 | 0 | 0 | 120.8 | ||||
| 18 | P | 43.4 | Very low | 32.9 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 61% | 0.61 | 82% | 0.822 | S | S | * | * | cis | -146.2 | -169.7 | -5.3 | 23.9 | 4.4 | 0 | 0 | 0 | 115.3 | ||||
| 19 | F | 28.5 | Very low | 32.1 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | 102.4 | 102.4 | 151.1 | -88.6 | -101.4 | 0 | 0 | 0 | 122.5 | ||||
| 20 | Q | 31.4 | Very low | 32 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 70% | 0.696 | 82% | 0.816 | S | S | * | * | 67.7 | 115.6 | 118 | -83.6 | -172.1 | -10.8 | 0 | 0 | 122.4 | |||||
| 21 | R | 31.5 | Very low | 31.9 | Very low | 232 Ų | 232 | 133.2 Ų | 133.2 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | 166.4 | 128.5 | 99.8 | -103.8 | -178.7 | 178.5 | 140.3 | 1.4 | 106.9 | |||||
| 22 | A | 29.8 | Very low | 31.5 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | 126.3 | 129.1 | 34.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 23 | Q | 30.5 | Very low | 31.8 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -56.7 | 145.4 | 172.3 | -72.9 | 153.5 | -72.1 | 0 | 0 | 113.2 | ||||
| 24 | A | 30.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -162.7 | 137.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 25 | G | 27.7 | Very low | 30.9 | Very low | 79 Ų | 79 | 133.3 Ų | 133.3 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | cis | -164.1 | 154.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | L | 28.7 | Very low | 30.9 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -88.9 | 127.1 | 166.5 | -175 | 81.2 | 0 | 0 | 0 | 106.6 | ||||
| 27 | E | 31.7 | Very low | 30.9 | Very low | 201 Ų | 201 | 137.4 Ų | 137.4 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 153.4 | 159.7 | -87.2 | -127.2 | 140.8 | 0 | 0 | 110.1 | ||||
| 28 | A | 30.7 | Very low | 31.1 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -106 | 159.2 | -150.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 29 | G | 28 | Very low | 30.7 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 73.2 | 122.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 30 | L | 27 | Very low | 30.9 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | 177.6 | 123.5 | 107.2 | -110.5 | 96.7 | 0 | 0 | 0 | 112.9 | |||||
| 31 | L | 31.6 | Very low | 30.8 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | trans | 50.3 | 119.3 | 137.4 | -56.2 | 179.4 | 0 | 0 | 0 | 123 | ||||
| 32 | A | 31.9 | Very low | 30.9 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | -160.8 | 129.2 | 119.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 33 | P | 36.6 | Very low | 31.2 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | trans | -98.7 | 133.6 | 174.6 | 34.8 | -26.2 | 0 | 0 | 0 | 111.5 | ||||
| 34 | G | 28.4 | Very low | 31.4 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -121.7 | 92.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 35 | F | 29.9 | Very low | 31.4 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 82% | 0.82 | 82% | 0.823 | S | S | * | * | trans | -68.1 | 130.2 | 167.4 | -92.9 | -94.1 | 0 | 0 | 0 | 109.8 | ||||
| 36 | S | 29.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -148.3 | 99.5 | 156.3 | -66.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 37 | N | 31.2 | Very low | 32.2 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 124 | 165.9 | -95.6 | -16.9 | 0 | 0 | 0 | 109.4 | ||||
| 38 | A | 33.3 | Very low | 32.4 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -139.6 | 89.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | G40 | A38-G40 PolarHBondContact O-N 3.33Š| ||
| 39 | S | 36.9 | Very low | 33 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -62.7 | 112.8 | 159.2 | 47.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 40 | G | 31.5 | Very low | 33.4 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -158 | 100.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | A38 | A38-G40 PolarHBondContact O-N 3.33Š| ||
| 41 | N | 28.9 | Very low | 34.3 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | 31.7 | 103.7 | 160.4 | -67.4 | -7.7 | 0 | 0 | 0 | 117.8 | S43 | N41-S43 PolarHBondContact O-N 3.26Š| ||
| 42 | A | 34.2 | Very low | 35 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 93% | 0.934 | 77% | 0.773 | S | S | * | * | trans | -63.8 | 79.5 | 154 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 43 | S | 35.1 | Very low | 36.1 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -76 | 123.4 | 151.4 | -65.3 | 0 | 0 | 0 | 0 | 106.5 | N41 R45 | N41-S43 PolarHBondContact O-N 3.26Å; S43-R45 PolarHBondContact O-N 3.42Å | ||
| 44 | E | 35.8 | Very low | 37.2 | Very low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -34.6 | 106.4 | 169 | -82.1 | 164.5 | 110.2 | 0 | 0 | 110.5 | V46 | E44-V46 PolarHBondContact O-N 3.43Š| ||
| 45 | R | 30.8 | Very low | 38.9 | Very low | 237 Ų | 237 | 122.6 Ų | 122.6 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | -66.6 | 93.5 | 151.6 | -73.8 | -175.9 | -176.6 | 169.9 | 1.4 | 104.4 | S43 L47 | S43-R45 PolarHBondContact O-N 3.42Å; R45-L47 PolarHBondContact O-N 2.99Å | ||
| 46 | V | 37.6 | Very low | 40.8 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 76% | 0.758 | 70% | 0.701 | S | S | * | * | trans | -44.1 | 106.3 | 149.3 | 173.3 | 0 | 0 | 0 | 0 | 104.1 | E44 A48 | E44-V46 PolarHBondContact O-N 3.43Å; V46-A48 VanDerWaalsContact C-N 3.26Å; V46-A48 PolarHBondContact O-N 2.89Å | ||
| 47 | L | 35.8 | Very low | 42.8 | Very low | 163 Ų | 163 | 114.9 Ų | 114.9 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -52.7 | 104.2 | 168.3 | -99.9 | 129.2 | 0 | 0 | 0 | 104.3 | R45 A49 | R45-L47 PolarHBondContact O-N 2.99Å; L47-A49 PolarHBondContact O-N 3.26Å | ||
| 48 | A | 36.1 | Very low | 45.1 | Very low | 87 Ų | 87 | 108.1 Ų | 108.1 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | trans | -50.6 | 113.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | V46 | V46-A48 VanDerWaalsContact C-N 3.26Å; V46-A48 PolarHBondContact O-N 2.89Å | ||
| 49 | A | 41.8 | Very low | 47.7 | Very low | 81 Ų | 81 | 108.2 Ų | 108.2 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | trans | -48 | 139.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | L47 S51 | L47-A49 PolarHBondContact O-N 3.26Å; A49-S51 PolarHBondContact O-N 3.05Å | ||
| 50 | P | 37.9 | Very low | 50.4 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | trans | -53.9 | 114.1 | 176.1 | 23.4 | -31.4 | 0 | 0 | 0 | 106.9 | S52 | P50-S52 PolarHBondContact O-N 3.09Š| ||
| 51 | S | 44.3 | Very low | 53.3 | Low | 110 Ų | 110 | 113.4 Ų | 113.4 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -54.5 | 104.8 | -178.6 | 48.6 | 0 | 0 | 0 | 0 | 107.7 | A49 | A49-S51 PolarHBondContact O-N 3.05Š| ||
| 52 | S | 47.4 | Very low | 56.5 | Low | 48 Ų | 48 | 107.8 Ų | 107.8 | 34% | 0.336 | 60% | 0.604 | S | S | . | * | trans | -70.4 | 136.4 | -169.6 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | P50 L54 D55 | P50-S52 PolarHBondContact O-N 3.09Å; S52-L54 PolarHBondContact O-N 3.39Å; S52-D55 PolarHBondContact O-N 3.25Å | ||
| 53 | E | 54.2 | Low | 59.3 | Low | 200 Ų | 200 | 103.7 Ų | 103.7 | 94% | 0.935 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 2.9 | 171 | -65.1 | -178.4 | 149.6 | 0 | 0 | 114.8 | ||
| 54 | L | 60 | Low | 62.3 | Low | 31 Ų | 31 | 102.8 Ų | 102.8 | 16% | 0.162 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -98.5 | -8.3 | 179.2 | -65.1 | 166.2 | 0 | 0 | 0 | 113.3 | S52 V56 H132 R212 V223 | S52-L54 PolarHBondContact O-N 3.39Å; L54-V56 PolarHBondContact O-N 3.39Å; L54-H132 PolarHBondContact O-CD2 3.14Å; L54-R212 HydrophobicContact CD1-CB 4.44Å; L54-R212 HydrophobicContact CD2-CB 4.21Å; L54-V223 HydrophobicContact CD2-CG1 4.4Å |
| 55 | D | 63.9 | Low | 65.2 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | trans | -75.2 | 122.9 | -179.4 | -79.8 | -23.9 | 0 | 0 | 0 | 111.9 | S52 H132 | S52-D55 PolarHBondContact O-N 3.25Å; D55-H132 IonicContact OD1-CE1 3.35Å; D55-H132 PolarHBondContact OD1-CE1 3.43Å; D55-H132 IonicContact OD1-NE2 3.03Å; D55-H132 PolarHBondContact OD1-NE2 3.48Å | ||
| 56 | V | 69.7 | Low | 68.3 | Low | 21 Ų | 21 | 89.1 Ų | 89.1 | 13% | 0.127 | 51% | 0.506 | C | S | . | . | trans | -98.9 | 116.2 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L54 T58 Y339 H343 | L54-V56 PolarHBondContact O-N 3.39Å; V56-T58 VanDerWaalsContact C-N 3.32Å; V56-T58 HydrophobicContact CG1-CG2 3.78Å; V56-T58 PolarHBondContact O-N 3.45Å; V56-Y339 HydrophobicContact CG2-CE1 3.93Å; V56-H343 HydrophobicContact CG1-CB 3.7Å | ||
| 57 | N | 71.4 | Confident | 71.1 | Confident | 125 Ų | 125 | 84.1 Ų | 84.1 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | trans | -78.5 | 78.8 | 177.4 | -71.5 | -34.8 | 0 | 0 | 0 | 111 | ||||
| 58 | T | 80 | Confident | 74.1 | Confident | 17 Ų | 17 | 79.1 Ų | 79.1 | 10% | 0.104 | 46% | 0.458 | C | S | . | . | trans | -113 | 133.5 | 173.7 | 42.2 | 0 | 0 | 0 | 0 | 111.3 | V56 I60 K63 H343 Y344 M347 | V56-T58 VanDerWaalsContact C-N 3.32Å; V56-T58 HydrophobicContact CG1-CG2 3.78Å; V56-T58 PolarHBondContact O-N 3.45Å; T58-I60 PolarHBondContact O-N 3.22Å; T58-K63 WeakPolarHBondContact OG1-CE 3.35Å; T58-H343 HydrophobicContact CG2-CB 4Å; T58-Y344 HydrophobicContact CG2-CE1 4.29Å; T58-Y344 HydrophobicContact CG2-CE2 4.19Å; T58-M347 HydrophobicContact CG2-CE 3.73Å | ||
| 59 | D | 89.3 | Confident | 77 | Confident | 98 Ų | 98 | 77.8 Ų | 77.8 | 52% | 0.524 | 44% | 0.44 | S | S | . | . | trans | -60.8 | 130.9 | -178.4 | -68.7 | -37 | 0 | 0 | 0 | 111.2 | Y61 S62 K63 Y344 | D59-Y61 PolarHBondContact O-N 2.94Å; D59-S62 WeakPolarHBondContact O-CB 3.32Å; D59-S62 PolarHBondContact O-N 2.95Å; D59-K63 PolarHBondContact O-N 3.4Å; D59-Y344 PolarHBondContact N-OH 3.47Å; D59-Y344 PolarHBondContact OD2-OH 3.34Å | ||
| 60 | I | 91.9 | Very high | 79.7 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 54% | 0.544 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.6 | -35.2 | 177.8 | -169.7 | 167.9 | 0 | 0 | 0 | 112.1 | T58 S62 K63 V64 | T58-I60 PolarHBondContact O-N 3.22Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.41Å; I60-K63 WeakPolarHBondContact O-CB 3.4Å; I60-K63 PolarHBondContact O-N 3.08Å; I60-V64 WeakPolarHBondContact O-CG2 3.28Å; I60-V64 PolarHBondContact O-N 3.06Å |
| 61 | Y | 94 | Very high | 82.6 | Confident | 197 Ų | 197 | 73.6 Ų | 73.6 | 77% | 0.773 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 176.3 | -62.9 | -73.4 | 0 | 0 | 0 | 112.2 | D59 V64 L65 | D59-Y61 PolarHBondContact O-N 2.94Å; Y61-V64 PolarHBondContact O-N 3.3Å; Y61-L65 WeakPolarHBondContact O-CB 3.43Å; Y61-L65 PolarHBondContact O-N 3.4Å |
| 62 | S | 94.3 | Very high | 85.1 | Confident | 35 Ų | 35 | 71 Ų | 71 | 25% | 0.245 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 111 | D59 I60 V64 L65 V66 | D59-S62 WeakPolarHBondContact O-CB 3.32Å; D59-S62 PolarHBondContact O-N 2.95Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.41Å; S62-V64 PolarHBondContact O-N 3.01Å; S62-L65 PolarHBondContact O-N 3.34Å; S62-V66 WeakPolarHBondContact O-CB 3.4Å; S62-V66 WeakPolarHBondContact O-CG2 3.37Å; S62-V66 PolarHBondContact O-N 3.38Å |
| 63 | K | 94.3 | Very high | 87.5 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.8 | -62.9 | -173.2 | 179.6 | -154.4 | 0 | 112.3 | T58 D59 I60 V66 T67 I128 W129 M347 | T58-K63 WeakPolarHBondContact OG1-CE 3.35Å; D59-K63 PolarHBondContact O-N 3.4Å; I60-K63 WeakPolarHBondContact O-CB 3.4Å; I60-K63 PolarHBondContact O-N 3.08Å; K63-V66 PolarHBondContact O-N 3.09Å; K63-T67 WeakPolarHBondContact O-CB 3.42Å; K63-T67 PolarHBondContact O-N 2.86Å; K63-T67 PolarHBondContact O-OG1 3.17Å; K63-I128 HydrophobicContact CB-CG2 4.34Å; K63-I128 VanDerWaalsContact CD-O 3.31Å; K63-I128 WeakPolarHBondContact CD-O 3.48Å; K63-I128 VanDerWaalsContact CE-O 3.26Å; K63-I128 WeakPolarHBondContact CE-O 3.32Å; K63-I128 HydrophobicContact CG-CG2 4.36Å; K63-I128 PolarHBondContact NZ-O 2.88Å; K63-W129 PolarHBondContact NZ-O 3.32Å; K63-M347 HydrophobicContact CG-CE 4.23Å |
| 64 | V | 96.8 | Very high | 89.6 | Confident | 79 Ų | 79 | 63 Ų | 63 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | I60 Y61 S62 T67 A68 W129 | I60-V64 WeakPolarHBondContact O-CG2 3.28Å; I60-V64 PolarHBondContact O-N 3.06Å; Y61-V64 PolarHBondContact O-N 3.3Å; S62-V64 PolarHBondContact O-N 3.01Å; V64-T67 WeakPolarHBondContact O-CB 3.48Å; V64-T67 PolarHBondContact O-N 3.41Å; V64-A68 PolarHBondContact O-N 2.94Å; V64-W129 HydrophobicContact CG2-CH2 4.11Å; V64-W129 HydrophobicContact CG2-CZ2 4.37Å |
| 65 | L | 96.7 | Very high | 91.3 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.8 | -49.3 | 176.6 | 176.2 | 62.3 | 0 | 0 | 0 | 111.5 | Y61 S62 T67 A68 V69 | Y61-L65 WeakPolarHBondContact O-CB 3.43Å; Y61-L65 PolarHBondContact O-N 3.4Å; S62-L65 PolarHBondContact O-N 3.34Å; L65-T67 VanDerWaalsContact C-N 3.29Å; L65-T67 PolarHBondContact O-N 3.39Å; L65-A68 PolarHBondContact O-N 3.47Å; L65-V69 WeakPolarHBondContact O-CG2 3.3Å; L65-V69 PolarHBondContact O-N 2.9Å |
| 66 | V | 96.6 | Very high | 92.8 | Very high | 21 Ų | 21 | 65.3 Ų | 65.3 | 13% | 0.127 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 179.3 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | S62 K63 V69 Y70 I128 M347 | S62-V66 WeakPolarHBondContact O-CB 3.4Å; S62-V66 WeakPolarHBondContact O-CG2 3.37Å; S62-V66 PolarHBondContact O-N 3.38Å; K63-V66 PolarHBondContact O-N 3.09Å; V66-V69 PolarHBondContact O-N 3.23Å; V66-Y70 HydrophobicContact CG1-CD1 3.94Å; V66-Y70 HydrophobicContact CG1-CE1 3.61Å; V66-Y70 VanDerWaalsContact O-CD1 3.26Å; V66-Y70 WeakPolarHBondContact O-CD1 3.46Å; V66-Y70 PolarHBondContact O-N 3.44Å; V66-I128 HydrophobicContact CG1-CD1 4.32Å; V66-M347 HydrophobicContact CG1-CB 4.25Å; V66-M347 HydrophobicContact CG2-CB 3.82Å; V66-M347 HydrophobicContact CG2-CG 4.24Å; V66-M347 HydrophobicContact CG2-SD 3.97Å |
| 67 | T | 97.5 | Very high | 94 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | K63 V64 L65 V69 Y70 L71 L124 W129 | K63-T67 WeakPolarHBondContact O-CB 3.42Å; K63-T67 PolarHBondContact O-N 2.86Å; K63-T67 PolarHBondContact O-OG1 3.17Å; V64-T67 WeakPolarHBondContact O-CB 3.48Å; V64-T67 PolarHBondContact O-N 3.41Å; L65-T67 VanDerWaalsContact C-N 3.29Å; L65-T67 PolarHBondContact O-N 3.39Å; T67-V69 VanDerWaalsContact C-N 3.32Å; T67-V69 PolarHBondContact O-N 2.99Å; T67-Y70 PolarHBondContact O-N 3.22Å; T67-L71 HydrophobicContact CG2-CD1 4.15Å; T67-L71 HydrophobicContact CG2-CG 4.44Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.35Å; T67-L71 PolarHBondContact O-N 2.96Å; T67-L124 HydrophobicContact CG2-CD1 4.15Å; T67-L124 HydrophobicContact CG2-CD2 4.27Å; T67-W129 PolarHBondContact OG1-NE1 2.94Å |
| 68 | A | 98.1 | Very high | 95.2 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V64 L65 A72 | V64-A68 PolarHBondContact O-N 2.94Å; L65-A68 PolarHBondContact O-N 3.47Å; A68-A72 WeakPolarHBondContact O-CB 3.48Å; A68-A72 PolarHBondContact O-N 3.42Å |
| 69 | V | 97.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L65 V66 T67 L71 A72 L73 | L65-V69 WeakPolarHBondContact O-CG2 3.3Å; L65-V69 PolarHBondContact O-N 2.9Å; V66-V69 PolarHBondContact O-N 3.23Å; T67-V69 VanDerWaalsContact C-N 3.32Å; T67-V69 PolarHBondContact O-N 2.99Å; V69-L71 PolarHBondContact O-N 3.44Å; V69-A72 PolarHBondContact O-N 3.36Å; V69-L73 HydrophobicContact CG1-CD1 3.92Å; V69-L73 HydrophobicContact CG1-CG 4.35Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.2Å; V69-L73 PolarHBondContact O-N 2.97Å |
| 70 | Y | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | -179.2 | -82 | 30.8 | 0 | 0 | 0 | 111.2 | V66 T67 A72 L73 F74 M120 L124 M347 N350 A351 Y354 | V66-Y70 HydrophobicContact CG1-CD1 3.94Å; V66-Y70 HydrophobicContact CG1-CE1 3.61Å; V66-Y70 VanDerWaalsContact O-CD1 3.26Å; V66-Y70 WeakPolarHBondContact O-CD1 3.46Å; V66-Y70 PolarHBondContact O-N 3.44Å; T67-Y70 PolarHBondContact O-N 3.22Å; Y70-A72 PolarHBondContact O-N 3.44Å; Y70-L73 PolarHBondContact O-N 3.25Å; Y70-F74 VanDerWaalsContact O-CB 3.29Å; Y70-F74 WeakPolarHBondContact O-CB 3.32Å; Y70-F74 PolarHBondContact O-N 3.43Å; Y70-M120 HydrophobicContact CD2-CG 4.03Å; Y70-L124 HydrophobicContact CD2-CD1 4.18Å; Y70-M347 PolarHBondContact OH-O 3.22Å; Y70-N350 WeakPolarHBondContact OH-CB 3.25Å; Y70-A351 HydrophobicContact CE1-CB 3.85Å; Y70-A351 PolarHBondContact OH-N 3.44Å; Y70-Y354 HydrophobicContact CD2-CD2 4.36Å; Y70-Y354 HydrophobicContact CD2-CE2 4.3Å; Y70-Y354 HydrophobicContact CE1-CD2 4.38Å; Y70-Y354 AromaticContact CE2-CD2 3.98Å; Y70-Y354 HydrophobicContact CE2-CD2 3.98Å; Y70-Y354 AromaticContact CE2-CE2 3.75Å; Y70-Y354 HydrophobicContact CE2-CE2 3.75Å |
| 71 | L | 97.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.2 | -70.6 | 175.2 | 0 | 0 | 0 | 112 | T67 V69 F74 V75 | T67-L71 HydrophobicContact CG2-CD1 4.15Å; T67-L71 HydrophobicContact CG2-CG 4.44Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.35Å; T67-L71 PolarHBondContact O-N 2.96Å; V69-L71 PolarHBondContact O-N 3.44Å; L71-F74 PolarHBondContact O-N 2.96Å; L71-V75 WeakPolarHBondContact O-CG2 3.35Å; L71-V75 PolarHBondContact O-N 2.76Å |
| 72 | A | 97.7 | Very high | 96 | Very high | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A68 V69 Y70 V75 V76 | A68-A72 WeakPolarHBondContact O-CB 3.48Å; A68-A72 PolarHBondContact O-N 3.42Å; V69-A72 PolarHBondContact O-N 3.36Å; Y70-A72 PolarHBondContact O-N 3.44Å; A72-V75 PolarHBondContact O-N 2.88Å; A72-V76 WeakPolarHBondContact O-CB 3.24Å; A72-V76 VanDerWaalsContact O-CG2 3.27Å; A72-V76 WeakPolarHBondContact O-CG2 3.4Å; A72-V76 PolarHBondContact O-N 3.01Å |
| 73 | L | 97.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.7 | -67.8 | 174.6 | 0 | 0 | 0 | 112 | V69 Y70 G77 M120 V355 T358 | V69-L73 HydrophobicContact CG1-CD1 3.92Å; V69-L73 HydrophobicContact CG1-CG 4.35Å; V69-L73 VanDerWaalsContact O-CG 3.3Å; V69-L73 WeakPolarHBondContact O-CG 3.2Å; V69-L73 PolarHBondContact O-N 2.97Å; Y70-L73 PolarHBondContact O-N 3.25Å; L73-G77 WeakPolarHBondContact O-CA 3.32Å; L73-G77 PolarHBondContact O-N 2.88Å; L73-M120 HydrophobicContact CB-CE 4.36Å; L73-V355 HydrophobicContact CD1-CG2 3.94Å; L73-V355 HydrophobicContact CD2-CG2 3.73Å; L73-T358 HydrophobicContact CB-CG2 4.01Å; L73-T358 HydrophobicContact CD2-CG2 3.9Å; L73-T358 WeakPolarHBondContact O-CG2 3.38Å |
| 74 | F | 97.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 44.4 Ų | 44.4 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.2 | -51 | 176.9 | -173.4 | -101.2 | 0 | 0 | 0 | 111.1 | Y70 L71 T78 L116 L117 M120 | Y70-F74 VanDerWaalsContact O-CB 3.29Å; Y70-F74 WeakPolarHBondContact O-CB 3.32Å; Y70-F74 PolarHBondContact O-N 3.43Å; L71-F74 PolarHBondContact O-N 2.96Å; F74-T78 HydrophobicContact CD1-CG2 4.32Å; F74-T78 HydrophobicContact CD2-CG2 4.13Å; F74-T78 HydrophobicContact CE1-CG2 4.11Å; F74-T78 HydrophobicContact CE2-CG2 3.92Å; F74-T78 HydrophobicContact CG-CG2 4.34Å; F74-T78 HydrophobicContact CZ-CG2 3.91Å; F74-T78 VanDerWaalsContact O-CB 3.27Å; F74-T78 WeakPolarHBondContact O-CB 3.25Å; F74-T78 VanDerWaalsContact O-CG2 3.22Å; F74-T78 WeakPolarHBondContact O-CG2 3.42Å; F74-T78 PolarHBondContact O-N 3.3Å; F74-T78 PolarHBondContact O-OG1 2.82Å; F74-L116 HydrophobicContact CD2-CB 4.4Å; F74-L116 WeakPolarHBondContact CE2-O 3.48Å; F74-L117 HydrophobicContact CE2-CD2 4.02Å; F74-L117 HydrophobicContact CZ-CD2 3.8Å; F74-M120 HydrophobicContact CB-CE 4.43Å; F74-M120 HydrophobicContact CB-SD 3.59Å; F74-M120 VanDerWaalsContact CB-SD 3.59Å; F74-M120 HydrophobicContact CD2-SD 3.72Å; F74-M120 HydrophobicContact CG-SD 4.1Å |
| 75 | V | 96.3 | Very high | 95.1 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 53% | 0.527 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -49.1 | -179 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L71 A72 G77 T78 V79 | L71-V75 WeakPolarHBondContact O-CG2 3.35Å; L71-V75 PolarHBondContact O-N 2.76Å; A72-V75 PolarHBondContact O-N 2.88Å; V75-G77 PolarHBondContact O-N 3.42Å; V75-T78 PolarHBondContact O-OG1 3.34Å; V75-V79 HydrophobicContact CG1-CG2 4.5Å; V75-V79 WeakPolarHBondContact O-CB 3.47Å; V75-V79 VanDerWaalsContact O-CG2 3.24Å; V75-V79 WeakPolarHBondContact O-CG2 3.23Å; V75-V79 PolarHBondContact O-N 3.02Å; V75-V79 VanDerWaalsContact O-N 3.08Å |
| 76 | V | 95.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.4 | -45.6 | -179.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | A72 G80 | A72-V76 WeakPolarHBondContact O-CB 3.24Å; A72-V76 VanDerWaalsContact O-CG2 3.27Å; A72-V76 WeakPolarHBondContact O-CG2 3.4Å; A72-V76 PolarHBondContact O-N 3.01Å; V76-G80 WeakPolarHBondContact O-CA 3.48Å; V76-G80 PolarHBondContact O-N 3.03Å |
| 77 | G | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.6 | -46.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L73 V75 N81 L116 | L73-G77 WeakPolarHBondContact O-CA 3.32Å; L73-G77 PolarHBondContact O-N 2.88Å; V75-G77 PolarHBondContact O-N 3.42Å; G77-N81 VanDerWaalsContact O-CB 3.27Å; G77-N81 WeakPolarHBondContact O-CB 3.38Å; G77-N81 PolarHBondContact O-N 3.42Å; G77-N81 PolarHBondContact O-ND2 3.04Å; G77-L116 VanDerWaalsContact C-CD1 3.49Å |
| 78 | T | 95.9 | Very high | 93 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 13% | 0.129 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -50.5 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | F74 V75 G80 T82 L116 L117 | F74-T78 HydrophobicContact CD1-CG2 4.32Å; F74-T78 HydrophobicContact CD2-CG2 4.13Å; F74-T78 HydrophobicContact CE1-CG2 4.11Å; F74-T78 HydrophobicContact CE2-CG2 3.92Å; F74-T78 HydrophobicContact CG-CG2 4.34Å; F74-T78 HydrophobicContact CZ-CG2 3.91Å; F74-T78 VanDerWaalsContact O-CB 3.27Å; F74-T78 WeakPolarHBondContact O-CB 3.25Å; F74-T78 VanDerWaalsContact O-CG2 3.22Å; F74-T78 WeakPolarHBondContact O-CG2 3.42Å; F74-T78 PolarHBondContact O-N 3.3Å; F74-T78 PolarHBondContact O-OG1 2.82Å; V75-T78 PolarHBondContact O-OG1 3.34Å; T78-G80 PolarHBondContact O-N 3.22Å; T78-T82 VanDerWaalsContact O-CB 3.23Å; T78-T82 WeakPolarHBondContact O-CB 3.47Å; T78-T82 PolarHBondContact O-N 3.37Å; T78-T82 PolarHBondContact O-OG1 2.95Å; T78-L116 HydrophobicContact CG2-CB 4.28Å; T78-L116 HydrophobicContact CG2-CD1 4.47Å; T78-L117 HydrophobicContact CG2-CD2 3.9Å; T78-L117 HydrophobicContact CG2-CG 4.47Å |
| 79 | V | 93.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -49 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 111 | V75 N81 V83 L379 | V75-V79 HydrophobicContact CG1-CG2 4.5Å; V75-V79 WeakPolarHBondContact O-CB 3.47Å; V75-V79 VanDerWaalsContact O-CG2 3.24Å; V75-V79 WeakPolarHBondContact O-CG2 3.23Å; V75-V79 PolarHBondContact O-N 3.02Å; V75-V79 VanDerWaalsContact O-N 3.08Å; V79-N81 PolarHBondContact O-N 3.31Å; V79-V83 HydrophobicContact CG1-CG2 4.34Å; V79-V83 WeakPolarHBondContact O-CB 3.45Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 2.8Å; V79-L379 HydrophobicContact CG1-CD1 4.38Å |
| 80 | G | 92.1 | Very high | 91 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V76 T78 T84 | V76-G80 WeakPolarHBondContact O-CA 3.48Å; V76-G80 PolarHBondContact O-N 3.03Å; T78-G80 PolarHBondContact O-N 3.22Å; G80-T84 WeakPolarHBondContact O-CB 3.22Å; G80-T84 PolarHBondContact O-N 3.21Å; G80-T84 PolarHBondContact O-OG1 3.29Å |
| 81 | N | 94.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.4 | -36.5 | -178.9 | -70.2 | -57.5 | 0 | 0 | 0 | 112.3 | G77 V79 T84 A85 A109 L113 S357 P361 | G77-N81 VanDerWaalsContact O-CB 3.27Å; G77-N81 WeakPolarHBondContact O-CB 3.38Å; G77-N81 PolarHBondContact O-N 3.42Å; G77-N81 PolarHBondContact O-ND2 3.04Å; V79-N81 PolarHBondContact O-N 3.31Å; N81-T84 WeakPolarHBondContact O-CB 3.21Å; N81-T84 PolarHBondContact O-N 2.78Å; N81-A85 WeakPolarHBondContact O-CB 3.16Å; N81-A85 PolarHBondContact O-N 2.99Å; N81-A109 HydrophobicContact CB-CB 4.25Å; N81-L113 HydrophobicContact CB-CD1 4.16Å; N81-L113 HydrophobicContact CB-CD2 3.85Å; N81-L113 HydrophobicContact CB-CG 3.6Å; N81-S357 PolarHBondContact ND2-O 3.49Å; N81-P361 WeakPolarHBondContact OD1-CD 3.34Å; N81-P361 WeakPolarHBondContact OD1-CG 3.4Å |
| 82 | T | 92.8 | Very high | 87.4 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 47% | 0.466 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 174.2 | -61 | 0 | 0 | 0 | 0 | 111.6 | T78 T84 A85 F86 L113 | T78-T82 VanDerWaalsContact O-CB 3.23Å; T78-T82 WeakPolarHBondContact O-CB 3.47Å; T78-T82 PolarHBondContact O-N 3.37Å; T78-T82 PolarHBondContact O-OG1 2.95Å; T82-T84 VanDerWaalsContact C-N 3.29Å; T82-T84 PolarHBondContact O-N 2.97Å; T82-A85 PolarHBondContact O-N 3.01Å; T82-F86 WeakPolarHBondContact O-CB 3.05Å; T82-F86 PolarHBondContact O-N 2.9Å; T82-L113 WeakPolarHBondContact OG1-CD2 3.49Å |
| 83 | V | 89.6 | Confident | 84.9 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | V79 T87 F375 T378 L379 L382 | V79-V83 HydrophobicContact CG1-CG2 4.34Å; V79-V83 WeakPolarHBondContact O-CB 3.45Å; V79-V83 WeakPolarHBondContact O-CG2 3.42Å; V79-V83 PolarHBondContact O-N 2.8Å; V83-T87 WeakPolarHBondContact O-CB 3.33Å; V83-T87 PolarHBondContact O-N 2.88Å; V83-T87 PolarHBondContact O-OG1 2.97Å; V83-F375 HydrophobicContact CB-CD2 4.27Å; V83-F375 HydrophobicContact CB-CE2 3.64Å; V83-F375 HydrophobicContact CB-CZ 3.92Å; V83-F375 HydrophobicContact CG1-CD1 4.35Å; V83-F375 HydrophobicContact CG1-CD2 3.52Å; V83-F375 HydrophobicContact CG1-CE1 4.23Å; V83-F375 HydrophobicContact CG1-CE2 3.38Å; V83-F375 HydrophobicContact CG1-CG 4.01Å; V83-F375 HydrophobicContact CG1-CZ 3.75Å; V83-T378 HydrophobicContact CG1-CG2 3.96Å; V83-L379 HydrophobicContact CG2-CD1 4.38Å; V83-L382 HydrophobicContact CG2-CD1 4.12Å |
| 84 | T | 88.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.6 | -53 | 174 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | G80 N81 T82 F86 T87 L88 A109 F371 | G80-T84 WeakPolarHBondContact O-CB 3.22Å; G80-T84 PolarHBondContact O-N 3.21Å; G80-T84 PolarHBondContact O-OG1 3.29Å; N81-T84 WeakPolarHBondContact O-CB 3.21Å; N81-T84 PolarHBondContact O-N 2.78Å; T82-T84 VanDerWaalsContact C-N 3.29Å; T82-T84 PolarHBondContact O-N 2.97Å; T84-F86 PolarHBondContact O-N 3.05Å; T84-T87 PolarHBondContact O-N 2.9Å; T84-L88 HydrophobicContact CG2-CD1 3.85Å; T84-L88 WeakPolarHBondContact O-CG 3.27Å; T84-L88 PolarHBondContact O-N 2.78Å; T84-A109 HydrophobicContact CG2-CB 3.98Å; T84-F371 HydrophobicContact CG2-CZ 3.95Å |
| 85 | A | 88.4 | Confident | 80 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | N81 T82 L88 A89 | N81-A85 WeakPolarHBondContact O-CB 3.16Å; N81-A85 PolarHBondContact O-N 2.99Å; T82-A85 PolarHBondContact O-N 3.01Å; A85-L88 PolarHBondContact O-N 3.49Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 2.9Å |
| 86 | F | 85.6 | Confident | 77.7 | Confident | 81 Ų | 81 | 64.6 Ų | 64.6 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 178.3 | -178.2 | -93.4 | 0 | 0 | 0 | 112.5 | T82 T84 L88 A89 R90 T378 | T82-F86 WeakPolarHBondContact O-CB 3.05Å; T82-F86 PolarHBondContact O-N 2.9Å; T84-F86 PolarHBondContact O-N 3.05Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 3.15Å; F86-A89 PolarHBondContact O-N 3.42Å; F86-R90 HydrophobicContact CD1-CG 4.12Å; F86-R90 HydrophobicContact CE1-CG 3.72Å; F86-R90 HydrophobicContact CE2-CG 4.21Å; F86-R90 HydrophobicContact CZ-CG 3.79Å; F86-R90 WeakPolarHBondContact O-CG 3.33Å; F86-R90 PolarHBondContact O-N 3.32Å; F86-T378 HydrophobicContact CD1-CG2 3.55Å; F86-T378 HydrophobicContact CE1-CG2 3.89Å |
| 87 | T | 80.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 178.9 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | V83 T84 K91 F371 I374 T378 | V83-T87 WeakPolarHBondContact O-CB 3.33Å; V83-T87 PolarHBondContact O-N 2.88Å; V83-T87 PolarHBondContact O-OG1 2.97Å; T84-T87 PolarHBondContact O-N 2.9Å; T87-K91 PolarHBondContact O-N 3.33Å; T87-F371 HydrophobicContact CG2-CE2 4.35Å; T87-I374 HydrophobicContact CG2-CB 4.11Å; T87-I374 HydrophobicContact CG2-CG2 3.39Å; T87-T378 PolarHBondContact OG1-OG1 3.25Å |
| 88 | L | 80.7 | Confident | 73.6 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 177.8 | -64.6 | 170.2 | 0 | 0 | 0 | 112.1 | T84 A85 F86 H102 L105 F371 | T84-L88 HydrophobicContact CG2-CD1 3.85Å; T84-L88 WeakPolarHBondContact O-CG 3.27Å; T84-L88 PolarHBondContact O-N 2.78Å; A85-L88 PolarHBondContact O-N 3.49Å; F86-L88 VanDerWaalsContact C-N 3.31Å; F86-L88 PolarHBondContact O-N 3.15Å; L88-H102 HydrophobicContact CD2-CB 3.86Å; L88-H102 WeakPolarHBondContact CD2-ND1 3.27Å; L88-L105 HydrophobicContact CD1-CB 3.75Å; L88-F371 HydrophobicContact CD2-CE2 4.13Å; L88-F371 HydrophobicContact CG-CE2 4.47Å |
| 89 | A | 79.1 | Confident | 72.2 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A85 F86 | A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 2.9Å; F86-A89 PolarHBondContact O-N 3.42Å |
| 90 | R | 73.4 | Confident | 71.4 | Confident | 192 Ų | 192 | 69 Ų | 69 | 73% | 0.725 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -76.1 | -28.6 | -177.8 | -74.7 | -65.5 | -148.6 | 174.5 | 6.8 | 113.8 | F86 K92 | F86-R90 HydrophobicContact CD1-CG 4.12Å; F86-R90 HydrophobicContact CE1-CG 3.72Å; F86-R90 HydrophobicContact CE2-CG 4.21Å; F86-R90 HydrophobicContact CZ-CG 3.79Å; F86-R90 WeakPolarHBondContact O-CG 3.33Å; F86-R90 PolarHBondContact O-N 3.32Å; R90-K92 PolarHBondContact O-N 2.99Å |
| 91 | K | 66 | Low | 71 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 26% | 0.261 | 38% | 0.377 | S | S | . | . | trans | -82.9 | 41 | -171.7 | -144.9 | -165.8 | -175.6 | -168.2 | 0 | 114 | T87 S93 Q95 N370 I374 | T87-K91 PolarHBondContact O-N 3.33Å; K91-S93 PolarHBondContact O-N 2.86Å; K91-Q95 VanDerWaalsContact NZ-OE1 3.12Å; K91-N370 PolarHBondContact NZ-ND2 3.4Å; K91-I374 HydrophobicContact CD-CD1 3.8Å | ||
| 92 | K | 54.9 | Low | 70.6 | Confident | 206 Ų | 206 | 72.9 Ų | 72.9 | 90% | 0.896 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16 | -178.7 | -109.2 | -176.4 | 179.6 | 179.7 | 0 | 114.8 | R90 | R90-K92 PolarHBondContact O-N 2.99Š|
| 93 | S | 44.3 | Very low | 70.4 | Confident | 113 Ų | 113 | 73.7 Ų | 73.7 | 79% | 0.79 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -7.9 | -165.5 | -166.4 | 0 | 0 | 0 | 0 | 116.5 | K91 | K91-S93 PolarHBondContact O-N 2.86Š|
| 94 | L | 44.4 | Very low | 70.4 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -130 | 122.7 | -176.5 | -121.5 | 88.7 | 0 | 0 | 0 | 110.6 | ||
| 95 | Q | 49.7 | Very low | 70.5 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | trans | 98 | 94.8 | 161.8 | -54.5 | 168.3 | -58.4 | 0 | 0 | 117 | K91 L97 Q98 | K91-Q95 VanDerWaalsContact NZ-OE1 3.12Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.32Å; Q95-Q98 HydrophobicContact CB-CB 4.5Å; Q95-Q98 VanDerWaalsContact CD-OE1 3.31Å; Q95-Q98 VanDerWaalsContact OE1-OE1 3.13Å | ||
| 96 | S | 46.9 | Very low | 70.6 | Confident | 98 Ų | 98 | 73.3 Ų | 73.3 | 69% | 0.685 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -59.4 | -28.8 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 115 | ||
| 97 | L | 45.9 | Very low | 71.1 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 72% | 0.723 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -104.3 | -22.9 | -170.1 | -154.2 | 73.6 | 0 | 0 | 0 | 115.1 | Q95 S99 | Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.32Å; L97-S99 VanDerWaalsContact C-N 3.29Å |
| 98 | Q | 58.9 | Low | 71.7 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -85.6 | -1.9 | 176.2 | -71.6 | -177.2 | -37.4 | 0 | 0 | 113 | Q95 T100 H102 | Q95-Q98 HydrophobicContact CB-CB 4.5Å; Q95-Q98 VanDerWaalsContact CD-OE1 3.31Å; Q95-Q98 VanDerWaalsContact OE1-OE1 3.13Å; Q98-T100 PolarHBondContact O-N 3.04Å; Q98-H102 PolarHBondContact O-CD2 3.42Å; Q98-H102 PolarHBondContact O-N 2.97Å |
| 99 | S | 66 | Low | 72.4 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -31.8 | -169.6 | -179.8 | 0 | 0 | 0 | 0 | 114.5 | L97 Y103 R182 | L97-S99 VanDerWaalsContact C-N 3.29Å; S99-Y103 WeakPolarHBondContact O-CD2 3.33Å; S99-Y103 WeakPolarHBondContact O-CE2 3.37Å; S99-R182 PolarHBondContact OG-NE 2.84Å |
| 100 | T | 78.4 | Confident | 73.2 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -75.9 | -44.8 | -174.6 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | Q98 H102 Y103 H104 E165 T185 | Q98-T100 PolarHBondContact O-N 3.04Å; T100-H102 PolarHBondContact O-N 2.95Å; T100-Y103 WeakPolarHBondContact O-CB 3.22Å; T100-Y103 PolarHBondContact O-N 3.32Å; T100-H104 PolarHBondContact O-CD2 2.92Å; T100-H104 PolarHBondContact O-N 3.02Å; T100-E165 WeakPolarHBondContact CB-OE1 3.18Å; T100-E165 PolarHBondContact OG1-OE1 3.35Å; T100-T185 VanDerWaalsContact CG2-OG1 3.31Å; T100-T185 WeakPolarHBondContact CG2-OG1 3.28Å |
| 101 | V | 83 | Confident | 74.3 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.3 | -41.2 | 172.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | Y103 H104 L105 L162 E165 | V101-Y103 VanDerWaalsContact C-N 3.3Å; V101-Y103 PolarHBondContact O-N 3.21Å; V101-H104 WeakPolarHBondContact O-CB 3.5Å; V101-H104 PolarHBondContact O-N 3.41Å; V101-H104 VanDerWaalsContact O-N 3.11Å; V101-L105 HydrophobicContact CB-CD1 4.46Å; V101-L105 HydrophobicContact CG1-CD1 3.3Å; V101-L105 WeakPolarHBondContact O-CD1 3.48Å; V101-L105 PolarHBondContact O-N 3.47Å; V101-L162 HydrophobicContact CG1-CD1 4.08Å; V101-E165 HydrophobicContact CG2-CG 3.86Å |
| 102 | H | 84.9 | Confident | 75.8 | Confident | 53 Ų | 53 | 56.8 Ų | 56.8 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 176.6 | -70.2 | -45.2 | 0 | 0 | 0 | 114 | L88 Q98 T100 G106 | L88-H102 HydrophobicContact CD2-CB 3.86Å; L88-H102 WeakPolarHBondContact CD2-ND1 3.27Å; Q98-H102 PolarHBondContact O-CD2 3.42Å; Q98-H102 PolarHBondContact O-N 2.97Å; T100-H102 PolarHBondContact O-N 2.95Å; H102-G106 PolarHBondContact O-N 3.29Å |
| 103 | Y | 89 | Confident | 77.8 | Confident | 94 Ų | 94 | 47.9 Ų | 47.9 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 173.8 | -71.1 | -73.3 | 0 | 0 | 0 | 111.7 | S99 T100 V101 G106 S107 R182 T185 K186 I189 | S99-Y103 WeakPolarHBondContact O-CD2 3.33Å; S99-Y103 WeakPolarHBondContact O-CE2 3.37Å; T100-Y103 WeakPolarHBondContact O-CB 3.22Å; T100-Y103 PolarHBondContact O-N 3.32Å; V101-Y103 VanDerWaalsContact C-N 3.3Å; V101-Y103 PolarHBondContact O-N 3.21Å; Y103-G106 PolarHBondContact O-N 3.35Å; Y103-S107 WeakPolarHBondContact O-CB 3.17Å; Y103-S107 PolarHBondContact O-N 2.89Å; Y103-R182 HydrophobicContact CE2-CB 4.34Å; Y103-R182 HydrophobicContact CE2-CG 4.44Å; Y103-T185 HydrophobicContact CD2-CG2 4.5Å; Y103-K186 HydrophobicContact CD1-CG 4.2Å; Y103-K186 HydrophobicContact CE1-CD 4.12Å; Y103-K186 HydrophobicContact CE1-CG 4.05Å; Y103-I189 VanDerWaalsContact CB-CD1 3.5Å |
| 104 | H | 90.3 | Very high | 80.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.9 | -73.7 | -68.1 | 0 | 0 | 0 | 112.2 | T100 V101 G106 S107 L108 S161 L162 E165 | T100-H104 PolarHBondContact O-CD2 2.92Å; T100-H104 PolarHBondContact O-N 3.02Å; V101-H104 WeakPolarHBondContact O-CB 3.5Å; V101-H104 PolarHBondContact O-N 3.41Å; V101-H104 VanDerWaalsContact O-N 3.11Å; H104-G106 VanDerWaalsContact C-N 3.32Å; H104-G106 PolarHBondContact O-N 3.07Å; H104-S107 PolarHBondContact O-N 3.35Å; H104-L108 WeakPolarHBondContact O-CB 3.48Å; H104-L108 PolarHBondContact O-N 3.49Å; H104-S161 PolarHBondContact CE1-OG 2.86Å; H104-S161 PolarHBondContact ND1-OG 3.25Å; H104-L162 HydrophobicContact CB-CD1 4Å; H104-E165 IonicContact NE2-OE2 4Å |
| 105 | L | 89.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 174.9 | -82.9 | 89.7 | 0 | 0 | 0 | 112 | L88 V101 L108 A109 L162 Y364 | L88-L105 HydrophobicContact CD1-CB 3.75Å; V101-L105 HydrophobicContact CB-CD1 4.46Å; V101-L105 HydrophobicContact CG1-CD1 3.3Å; V101-L105 WeakPolarHBondContact O-CD1 3.48Å; V101-L105 PolarHBondContact O-N 3.47Å; L105-L108 PolarHBondContact O-N 3.4Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.29Å; L105-L162 HydrophobicContact CD1-CD1 4.2Å; L105-Y364 HydrophobicContact CD2-CD1 3.92Å; L105-Y364 HydrophobicContact CD2-CD2 3.47Å; L105-Y364 VanDerWaalsContact CD2-CD2 3.47Å; L105-Y364 HydrophobicContact CD2-CE1 4.19Å; L105-Y364 HydrophobicContact CD2-CE2 3.74Å; L105-Y364 HydrophobicContact CD2-CG 3.56Å; L105-Y364 HydrophobicContact CG-CD2 4.15Å; L105-Y364 HydrophobicContact CG-CE1 4.32Å; L105-Y364 HydrophobicContact CG-CE2 3.88Å; L105-Y364 HydrophobicContact CG-CG 4.46Å |
| 106 | G | 91.6 | Very high | 85.1 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H102 Y103 H104 A109 L110 | H102-G106 PolarHBondContact O-N 3.29Å; Y103-G106 PolarHBondContact O-N 3.35Å; H104-G106 VanDerWaalsContact C-N 3.32Å; H104-G106 PolarHBondContact O-N 3.07Å; G106-A109 PolarHBondContact O-N 2.65Å; G106-L110 WeakPolarHBondContact O-CB 3.12Å; G106-L110 PolarHBondContact O-N 2.9Å |
| 107 | S | 94.8 | Very high | 87.5 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 174.6 | -175 | 0 | 0 | 0 | 0 | 111.7 | Y103 H104 L110 S111 N158 I189 W193 | Y103-S107 WeakPolarHBondContact O-CB 3.17Å; Y103-S107 PolarHBondContact O-N 2.89Å; H104-S107 PolarHBondContact O-N 3.35Å; S107-L110 PolarHBondContact O-N 3.45Å; S107-S111 PolarHBondContact O-N 3.11Å; S107-N158 WeakPolarHBondContact CB-OD1 3.34Å; S107-N158 VanDerWaalsContact OG-CG 3.26Å; S107-N158 PolarHBondContact OG-ND2 3.31Å; S107-N158 PolarHBondContact OG-OD1 3.05Å; S107-I189 WeakPolarHBondContact OG-CG2 3.28Å; S107-W193 PolarHBondContact OG-NE1 3.01Å |
| 108 | L | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | 177.2 | -170.9 | 70.9 | 0 | 0 | 0 | 112.3 | H104 L105 L110 S111 D112 T155 N158 V159 N360 Y364 | H104-L108 WeakPolarHBondContact O-CB 3.48Å; H104-L108 PolarHBondContact O-N 3.49Å; L105-L108 PolarHBondContact O-N 3.4Å; L108-L110 PolarHBondContact O-N 3.47Å; L108-S111 PolarHBondContact O-N 2.8Å; L108-S111 VanDerWaalsContact O-N 3.16Å; L108-S111 PolarHBondContact O-OG 3.08Å; L108-D112 WeakPolarHBondContact O-CB 3.2Å; L108-D112 PolarHBondContact O-N 3.44Å; L108-T155 HydrophobicContact CD1-CG2 3.73Å; L108-N158 HydrophobicContact CB-CB 4.3Å; L108-N158 HydrophobicContact CD1-CB 3.81Å; L108-V159 HydrophobicContact CD1-CG2 3.69Å; L108-V159 HydrophobicContact CD2-CG2 4.08Å; L108-N360 HydrophobicContact CD2-CB 4.05Å; L108-Y364 HydrophobicContact CD2-CE2 4.24Å; L108-Y364 WeakPolarHBondContact CD2-OH 3.27Å |
| 109 | A | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60 | -34.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N81 T84 L105 G106 L113 | N81-A109 HydrophobicContact CB-CB 4.25Å; T84-A109 HydrophobicContact CG2-CB 3.98Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.29Å; G106-A109 PolarHBondContact O-N 2.65Å; A109-L113 WeakPolarHBondContact O-CB 3.28Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.24Å; A109-L113 PolarHBondContact O-N 2.86Å |
| 110 | L | 96 | Very high | 93.1 | Very high | 85 Ų | 85 | 27.4 Ų | 27.4 | 45% | 0.445 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -68.2 | -45.6 | 174.3 | -179.1 | 62 | 0 | 0 | 0 | 112 | G106 S107 L108 D112 L113 L114 W193 | G106-L110 WeakPolarHBondContact O-CB 3.12Å; G106-L110 PolarHBondContact O-N 2.9Å; S107-L110 PolarHBondContact O-N 3.45Å; L108-L110 PolarHBondContact O-N 3.47Å; L110-D112 VanDerWaalsContact C-N 3.32Å; L110-D112 PolarHBondContact O-N 3.05Å; L110-L113 PolarHBondContact O-N 3.32Å; L110-L114 HydrophobicContact CD1-CG 4.38Å; L110-L114 HydrophobicContact CG-CD1 4.44Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.98Å; L110-W193 HydrophobicContact CB-CZ2 4.23Å; L110-W193 HydrophobicContact CD2-CH2 4.11Å; L110-W193 HydrophobicContact CD2-CZ2 3.86Å; L110-W193 HydrophobicContact CG-CH2 4Å; L110-W193 HydrophobicContact CG-CZ2 4Å |
| 111 | S | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 178.5 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | S107 L108 L114 T115 T155 | S107-S111 PolarHBondContact O-N 3.11Å; L108-S111 PolarHBondContact O-N 2.8Å; L108-S111 VanDerWaalsContact O-N 3.16Å; L108-S111 PolarHBondContact O-OG 3.08Å; S111-L114 PolarHBondContact O-N 3.43Å; S111-T115 WeakPolarHBondContact O-CB 3.04Å; S111-T115 PolarHBondContact O-N 2.99Å; S111-T115 PolarHBondContact O-OG1 3.27Å; S111-T155 WeakPolarHBondContact CB-OG1 3.31Å; S111-T155 PolarHBondContact OG-OG1 3.23Å |
| 112 | D | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 174 | -73.9 | -31.5 | 0 | 0 | 0 | 111.8 | L108 L110 T115 L116 S357 N360 | L108-D112 WeakPolarHBondContact O-CB 3.2Å; L108-D112 PolarHBondContact O-N 3.44Å; L110-D112 VanDerWaalsContact C-N 3.32Å; L110-D112 PolarHBondContact O-N 3.05Å; D112-T115 PolarHBondContact O-N 3.29Å; D112-L116 VanDerWaalsContact O-CG 3.29Å; D112-L116 WeakPolarHBondContact O-CG 3.4Å; D112-L116 PolarHBondContact O-N 2.92Å; D112-S357 VanDerWaalsContact OD1-CA 3.3Å; D112-S357 WeakPolarHBondContact OD1-CA 3.45Å; D112-S357 VanDerWaalsContact OD1-CB 3.31Å; D112-S357 WeakPolarHBondContact OD1-CB 3.46Å; D112-S357 PolarHBondContact OD1-OG 3.29Å; D112-N360 PolarHBondContact OD2-ND2 3.23Å |
| 113 | L | 97.2 | Very high | 95.1 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 174.5 | -78.8 | 168.2 | 0 | 0 | 0 | 112 | N81 T82 A109 L110 T115 L116 L117 | N81-L113 HydrophobicContact CB-CD1 4.16Å; N81-L113 HydrophobicContact CB-CD2 3.85Å; N81-L113 HydrophobicContact CB-CG 3.6Å; T82-L113 WeakPolarHBondContact OG1-CD2 3.49Å; A109-L113 WeakPolarHBondContact O-CB 3.28Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.24Å; A109-L113 PolarHBondContact O-N 2.86Å; L110-L113 PolarHBondContact O-N 3.32Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.11Å; L113-L116 PolarHBondContact O-N 2.92Å; L113-L117 VanDerWaalsContact O-CB 3.28Å; L113-L117 WeakPolarHBondContact O-CB 3.49Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 3.43Å |
| 114 | L | 97 | Very high | 95.5 | Very high | 51 Ų | 51 | 23.8 Ų | 23.8 | 27% | 0.267 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.2 | -68.3 | 178.5 | 0 | 0 | 0 | 111.3 | L110 S111 L116 L117 L118 W193 | L110-L114 HydrophobicContact CD1-CG 4.38Å; L110-L114 HydrophobicContact CG-CD1 4.44Å; L110-L114 WeakPolarHBondContact O-CG 3.47Å; L110-L114 PolarHBondContact O-N 2.98Å; S111-L114 PolarHBondContact O-N 3.43Å; L114-L116 PolarHBondContact O-N 3.22Å; L114-L117 PolarHBondContact O-N 3.07Å; L114-L118 HydrophobicContact CB-CD1 4.27Å; L114-L118 HydrophobicContact CD2-CD1 4.05Å; L114-L118 WeakPolarHBondContact O-CB 3.42Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 3.33Å; L114-W193 HydrophobicContact CD1-CH2 3.76Å; L114-W193 HydrophobicContact CD1-CZ3 3.85Å |
| 115 | T | 97.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -57.7 | -50.3 | 174.9 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | S111 D112 L113 A119 C151 F353 Y354 | S111-T115 WeakPolarHBondContact O-CB 3.04Å; S111-T115 PolarHBondContact O-N 2.99Å; S111-T115 PolarHBondContact O-OG1 3.27Å; D112-T115 PolarHBondContact O-N 3.29Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.11Å; T115-A119 VanDerWaalsContact O-CB 3.22Å; T115-A119 WeakPolarHBondContact O-CB 3Å; T115-A119 PolarHBondContact O-N 3.22Å; T115-C151 WeakPolarHBondContact OG1-CB 3.36Å; T115-F353 HydrophobicContact CG2-CE1 3.68Å; T115-F353 HydrophobicContact CG2-CZ 4.09Å; T115-Y354 HydrophobicContact CG2-CD1 4.29Å; T115-Y354 HydrophobicContact CG2-CE1 4.01Å |
| 116 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -67.3 | -42.4 | -178.2 | -67.2 | 169.8 | 0 | 0 | 0 | 112.4 | F74 G77 T78 D112 L113 L114 M120 Y354 | F74-L116 HydrophobicContact CD2-CB 4.4Å; F74-L116 WeakPolarHBondContact CE2-O 3.48Å; G77-L116 VanDerWaalsContact C-CD1 3.49Å; T78-L116 HydrophobicContact CG2-CB 4.28Å; T78-L116 HydrophobicContact CG2-CD1 4.47Å; D112-L116 VanDerWaalsContact O-CG 3.29Å; D112-L116 WeakPolarHBondContact O-CG 3.4Å; D112-L116 PolarHBondContact O-N 2.92Å; L113-L116 PolarHBondContact O-N 2.92Å; L114-L116 PolarHBondContact O-N 3.22Å; L116-M120 HydrophobicContact CD2-CE 3.49Å; L116-M120 VanDerWaalsContact CD2-CE 3.49Å; L116-M120 VanDerWaalsContact O-CB 3.28Å; L116-M120 WeakPolarHBondContact O-CB 3.36Å; L116-Y354 HydrophobicContact CD2-CD1 4.1Å |
| 117 | L | 97.7 | Very high | 96.1 | Very high | 91 Ų | 91 | 28.9 Ų | 28.9 | 48% | 0.476 | 15% | 0.15 | S | C | . | . | I | π-helix | trans | -78.5 | -33.2 | -174.7 | -66.4 | 174.1 | 0 | 0 | 0 | 113.3 | F74 T78 L113 L114 P121 | F74-L117 HydrophobicContact CE2-CD2 4.02Å; F74-L117 HydrophobicContact CZ-CD2 3.8Å; T78-L117 HydrophobicContact CG2-CD2 3.9Å; T78-L117 HydrophobicContact CG2-CG 4.47Å; L113-L117 VanDerWaalsContact O-CB 3.28Å; L113-L117 WeakPolarHBondContact O-CB 3.49Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 3.07Å; L117-P121 WeakPolarHBondContact O-CG 3.43Å |
| 118 | L | 95.5 | Very high | 96 | Very high | 75 Ų | 75 | 28.5 Ų | 28.5 | 39% | 0.393 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -99 | -42.6 | -174.3 | -55.7 | 177.9 | 0 | 0 | 0 | 112.5 | L114 L147 | L114-L118 HydrophobicContact CB-CD1 4.27Å; L114-L118 HydrophobicContact CD2-CD1 4.05Å; L114-L118 WeakPolarHBondContact O-CB 3.42Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 3.33Å; L118-L147 HydrophobicContact CD1-CD1 4.4Å |
| 119 | A | 95.4 | Very high | 96 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -85.4 | -44.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T115 E123 Y144 | T115-A119 VanDerWaalsContact O-CB 3.22Å; T115-A119 WeakPolarHBondContact O-CB 3Å; T115-A119 PolarHBondContact O-N 3.22Å; A119-E123 VanDerWaalsContact O-CB 3.24Å; A119-E123 WeakPolarHBondContact O-CB 3.39Å; A119-E123 PolarHBondContact O-N 3.5Å; A119-Y144 HydrophobicContact CB-CE2 4.3Å |
| 120 | M | 96.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | -171.3 | -169 | -175.3 | -77.2 | 0 | 0 | 114.3 | Y70 L73 F74 L116 E123 L124 Y354 | Y70-M120 HydrophobicContact CD2-CG 4.03Å; L73-M120 HydrophobicContact CB-CE 4.36Å; F74-M120 HydrophobicContact CB-CE 4.43Å; F74-M120 HydrophobicContact CB-SD 3.59Å; F74-M120 VanDerWaalsContact CB-SD 3.59Å; F74-M120 HydrophobicContact CD2-SD 3.72Å; F74-M120 HydrophobicContact CG-SD 4.1Å; L116-M120 HydrophobicContact CD2-CE 3.49Å; L116-M120 VanDerWaalsContact CD2-CE 3.49Å; L116-M120 VanDerWaalsContact O-CB 3.28Å; L116-M120 WeakPolarHBondContact O-CB 3.36Å; M120-E123 PolarHBondContact O-N 3.5Å; M120-L124 VanDerWaalsContact O-CB 3.28Å; M120-L124 WeakPolarHBondContact O-CB 3.31Å; M120-L124 PolarHBondContact O-N 2.83Å; M120-Y354 WeakPolarHBondContact CA-OH 3.39Å; M120-Y354 HydrophobicContact CB-CE1 4.04Å; M120-Y354 HydrophobicContact CB-CE2 4.48Å; M120-Y354 HydrophobicContact CE-CD1 3.63Å; M120-Y354 HydrophobicContact CE-CD2 3.8Å; M120-Y354 HydrophobicContact CE-CE1 4.14Å; M120-Y354 HydrophobicContact CE-CE2 4.32Å; M120-Y354 HydrophobicContact CE-CG 3.45Å; M120-Y354 VanDerWaalsContact CE-CG 3.45Å; M120-Y354 HydrophobicContact CG-CE2 4.25Å; M120-Y354 PolarHBondContact N-OH 3.34Å |
| 121 | P | 96.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 42% | 0.422 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.9 | -44.9 | -178 | -22.9 | 35.2 | 0 | 0 | 0 | 112.7 | L117 E123 L124 Y125 | L117-P121 WeakPolarHBondContact O-CG 3.43Å; P121-E123 VanDerWaalsContact C-N 3.28Å; P121-E123 PolarHBondContact O-N 3.34Å; P121-L124 PolarHBondContact O-N 3.09Å; P121-Y125 PolarHBondContact O-N 3.45Å; P121-Y125 VanDerWaalsContact O-N 3.09Å |
| 122 | V | 96.5 | Very high | 95 | Very high | 28 Ų | 28 | 36.2 Ų | 36.2 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | Y125 N126 W134 F136 Y144 | V122-Y125 PolarHBondContact O-N 2.93Å; V122-N126 PolarHBondContact O-N 3.36Å; V122-W134 HydrophobicContact CG1-CH2 3.68Å; V122-W134 HydrophobicContact CG1-CZ3 4.07Å; V122-F136 HydrophobicContact CB-CE2 4.34Å; V122-F136 HydrophobicContact CG1-CD2 4.01Å; V122-F136 HydrophobicContact CG1-CE2 3.73Å; V122-F136 HydrophobicContact CG1-CZ 4.42Å; V122-F136 HydrophobicContact CG2-CE2 4.31Å; V122-F136 HydrophobicContact CG2-CZ 4.2Å; V122-Y144 HydrophobicContact CB-CD2 3.8Å; V122-Y144 HydrophobicContact CB-CE2 3.75Å; V122-Y144 HydrophobicContact CG1-CD2 3.49Å; V122-Y144 VanDerWaalsContact CG1-CD2 3.49Å; V122-Y144 HydrophobicContact CG1-CE2 3.65Å; V122-Y144 HydrophobicContact CG1-CG 4.11Å; V122-Y144 HydrophobicContact CG2-CD2 4.31Å |
| 123 | E | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -45.3 | 179.5 | 179.5 | 171 | 156.5 | 0 | 0 | 113.7 | A119 M120 P121 Y125 F127 I128 Y144 R148 Y346 N350 Y354 | A119-E123 VanDerWaalsContact O-CB 3.24Å; A119-E123 WeakPolarHBondContact O-CB 3.39Å; A119-E123 PolarHBondContact O-N 3.5Å; M120-E123 PolarHBondContact O-N 3.5Å; P121-E123 VanDerWaalsContact C-N 3.28Å; P121-E123 PolarHBondContact O-N 3.34Å; E123-Y125 VanDerWaalsContact C-N 3.25Å; E123-Y125 PolarHBondContact O-N 3.47Å; E123-F127 HydrophobicContact CB-CD2 4.06Å; E123-F127 HydrophobicContact CG-CB 4.09Å; E123-F127 HydrophobicContact CG-CD2 3.96Å; E123-F127 CarbonylContact O-C 3.59Å; E123-F127 WeakPolarHBondContact O-CA 2.97Å; E123-F127 WeakPolarHBondContact O-CB 3.24Å; E123-F127 PolarHBondContact O-N 3.01Å; E123-I128 PolarHBondContact O-N 3.36Å; E123-Y144 PolarHBondContact OE2-OH 3.32Å; E123-R148 IonicContact OE2-CZ 2.84Å; E123-R148 IonicContact OE2-NH1 3.46Å; E123-R148 PolarHBondContact OE2-NH1 2.86Å; E123-R148 IonicContact OE2-NH2 3.57Å; E123-R148 PolarHBondContact OE2-NH2 2.93Å; E123-Y346 HydrophobicContact CG-CE1 4.24Å; E123-N350 WeakPolarHBondContact OE1-CB 3.33Å; E123-N350 PolarHBondContact OE1-ND2 3.27Å; E123-Y354 PolarHBondContact OE2-OH 3.45Å |
| 124 | L | 96.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 38.3 Ų | 38.3 | 15% | 0.152 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -59.1 | -42.6 | 177.3 | -177.4 | 62 | 0 | 0 | 0 | 110.6 | T67 Y70 M120 P121 I128 W129 | T67-L124 HydrophobicContact CG2-CD1 4.15Å; T67-L124 HydrophobicContact CG2-CD2 4.27Å; Y70-L124 HydrophobicContact CD2-CD1 4.18Å; M120-L124 VanDerWaalsContact O-CB 3.28Å; M120-L124 WeakPolarHBondContact O-CB 3.31Å; M120-L124 PolarHBondContact O-N 2.83Å; P121-L124 PolarHBondContact O-N 3.09Å; L124-I128 HydrophobicContact CD1-CB 4.36Å; L124-I128 HydrophobicContact CD1-CG1 4.38Å; L124-I128 WeakPolarHBondContact O-CB 2.97Å; L124-W129 VanDerWaalsContact O-CD1 3.31Å; L124-W129 PolarHBondContact O-N 3.02Å |
| 125 | Y | 96.1 | Very high | 94.6 | Very high | 110 Ų | 110 | 38.8 Ų | 38.8 | 43% | 0.431 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -70.7 | -62.4 | 179.3 | -177.9 | -103.9 | 0 | 0 | 0 | 112.4 | P121 V122 E123 W129 V130 A135 F136 | P121-Y125 PolarHBondContact O-N 3.45Å; P121-Y125 VanDerWaalsContact O-N 3.09Å; V122-Y125 PolarHBondContact O-N 2.93Å; E123-Y125 VanDerWaalsContact C-N 3.25Å; E123-Y125 PolarHBondContact O-N 3.47Å; Y125-W129 PolarHBondContact O-N 3.46Å; Y125-V130 HydrophobicContact CE2-CG2 4.19Å; Y125-V130 PolarHBondContact O-N 2.94Å; Y125-A135 HydrophobicContact CE1-CB 3.93Å; Y125-F136 HydrophobicContact CD1-CE2 4.12Å; Y125-F136 HydrophobicContact CD1-CZ 4.13Å |
| 126 | N | 94.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -90 | -12.8 | -168.7 | -90.2 | -12.3 | 0 | 0 | 0 | 115.5 | V122 V130 H131 W134 A135 F136 | V122-N126 PolarHBondContact O-N 3.36Å; N126-V130 CarbonylContact C-O 3.55Å; N126-V130 VanDerWaalsContact CA-O 3.22Å; N126-V130 WeakPolarHBondContact CA-O 3.4Å; N126-V130 VanDerWaalsContact O-O 3.06Å; N126-V130 PolarHBondContact OD1-O 3.47Å; N126-H131 WeakPolarHBondContact O-CA 2.94Å; N126-W134 HydrophobicContact CB-CE3 3.85Å; N126-W134 HydrophobicContact CB-CZ3 3.8Å; N126-W134 VanDerWaalsContact ND2-CZ3 3.35Å; N126-W134 WeakPolarHBondContact ND2-CZ3 3.15Å; N126-A135 PolarHBondContact ND2-N 3.32Å; N126-F136 HydrophobicContact CB-CE2 4.42Å; N126-F136 WeakPolarHBondContact ND2-CD2 3.5Å; N126-F136 WeakPolarHBondContact ND2-CE2 3.42Å |
| 127 | F | 93.8 | Very high | 94.4 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 13% | 0.127 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -114.9 | -5.8 | 179.1 | -60.6 | -62.8 | 0 | 0 | 0 | 113.7 | E123 H131 W134 Y144 Y145 Y346 | E123-F127 HydrophobicContact CB-CD2 4.06Å; E123-F127 HydrophobicContact CG-CB 4.09Å; E123-F127 HydrophobicContact CG-CD2 3.96Å; E123-F127 CarbonylContact O-C 3.59Å; E123-F127 WeakPolarHBondContact O-CA 2.97Å; E123-F127 WeakPolarHBondContact O-CB 3.24Å; E123-F127 PolarHBondContact O-N 3.01Å; F127-H131 PolarHBondContact O-CE1 3.35Å; F127-H131 PolarHBondContact O-ND1 3.33Å; F127-W134 HydrophobicContact CE2-CZ3 4.3Å; F127-W134 HydrophobicContact CZ-CZ3 4.05Å; F127-Y144 HydrophobicContact CD2-CE1 4.5Å; F127-Y144 HydrophobicContact CE2-CD1 4.26Å; F127-Y144 AromaticContact CE2-CE1 3.5Å; F127-Y144 HydrophobicContact CE2-CE1 3.5Å; F127-Y144 VanDerWaalsContact CE2-CE1 3.5Å; F127-Y144 AromaticContact CE2-CZ 3.71Å; F127-Y144 HydrophobicContact CZ-CE1 4.1Å; F127-Y145 HydrophobicContact CZ-CE2 4.42Å; F127-Y346 HydrophobicContact CB-CE1 3.63Å; F127-Y346 VanDerWaalsContact CB-OH 3.25Å; F127-Y346 WeakPolarHBondContact CB-OH 3.48Å; F127-Y346 VanDerWaalsContact CD2-OH 3.26Å; F127-Y346 WeakPolarHBondContact CD2-OH 3.44Å; F127-Y346 HydrophobicContact CG-CE1 4.45Å; F127-Y346 AromaticContact CG-CZ 3.95Å; F127-Y346 WeakPolarHBondContact CG-OH 3.35Å |
| 128 | I | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -119.6 | -50.2 | 176 | -51.2 | -66.6 | 0 | 0 | 0 | 111.1 | K63 V66 E123 L124 Y346 M347 | K63-I128 HydrophobicContact CB-CG2 4.34Å; K63-I128 VanDerWaalsContact CD-O 3.31Å; K63-I128 WeakPolarHBondContact CD-O 3.48Å; K63-I128 VanDerWaalsContact CE-O 3.26Å; K63-I128 WeakPolarHBondContact CE-O 3.32Å; K63-I128 HydrophobicContact CG-CG2 4.36Å; K63-I128 PolarHBondContact NZ-O 2.88Å; V66-I128 HydrophobicContact CG1-CD1 4.32Å; E123-I128 PolarHBondContact O-N 3.36Å; L124-I128 HydrophobicContact CD1-CB 4.36Å; L124-I128 HydrophobicContact CD1-CG1 4.38Å; L124-I128 WeakPolarHBondContact O-CB 2.97Å; I128-Y346 HydrophobicContact CD1-CD1 4.17Å; I128-Y346 HydrophobicContact CD1-CE1 4.14Å; I128-M347 HydrophobicContact CD1-CG 3.94Å |
| 129 | W | 93.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 41% | 0.405 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -88.2 | -56.9 | -174.9 | -79.3 | 92.2 | 0 | 0 | 0 | 112.9 | K63 V64 T67 L124 Y125 | K63-W129 PolarHBondContact NZ-O 3.32Å; V64-W129 HydrophobicContact CG2-CH2 4.11Å; V64-W129 HydrophobicContact CG2-CZ2 4.37Å; T67-W129 PolarHBondContact OG1-NE1 2.94Å; L124-W129 VanDerWaalsContact O-CD1 3.31Å; L124-W129 PolarHBondContact O-N 3.02Å; Y125-W129 PolarHBondContact O-N 3.46Å |
| 130 | V | 92.4 | Very high | 94.5 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 30% | 0.297 | 25% | 0.252 | S | S | . | . | trans | -122.4 | 87.3 | -172.1 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | Y125 N126 H132 | Y125-V130 HydrophobicContact CE2-CG2 4.19Å; Y125-V130 PolarHBondContact O-N 2.94Å; N126-V130 CarbonylContact C-O 3.55Å; N126-V130 VanDerWaalsContact CA-O 3.22Å; N126-V130 WeakPolarHBondContact CA-O 3.4Å; N126-V130 VanDerWaalsContact O-O 3.06Å; N126-V130 PolarHBondContact OD1-O 3.47Å; V130-H132 VanDerWaalsContact CG1-O 3.22Å; V130-H132 WeakPolarHBondContact CG1-O 3.35Å; V130-H132 PolarHBondContact O-N 3.11Å | ||
| 131 | H | 88.6 | Confident | 94.6 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | trans | -65.6 | -28.9 | -177.2 | -66.5 | -81.4 | 0 | 0 | 0 | 113.4 | N126 F127 | N126-H131 WeakPolarHBondContact O-CA 2.94Å; F127-H131 PolarHBondContact O-CE1 3.35Å; F127-H131 PolarHBondContact O-ND1 3.33Å | ||
| 132 | H | 86.5 | Confident | 94.7 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -146.7 | 146.4 | 177.1 | 60.3 | 80.9 | 0 | 0 | 0 | 108.9 | L54 D55 V130 V223 | L54-H132 PolarHBondContact O-CD2 3.14Å; D55-H132 IonicContact OD1-CE1 3.35Å; D55-H132 PolarHBondContact OD1-CE1 3.43Å; D55-H132 IonicContact OD1-NE2 3.03Å; D55-H132 PolarHBondContact OD1-NE2 3.48Å; V130-H132 VanDerWaalsContact CG1-O 3.22Å; V130-H132 WeakPolarHBondContact CG1-O 3.35Å; V130-H132 PolarHBondContact O-N 3.11Å; H132-V223 HydrophobicContact CB-CG1 4.12Å |
| 133 | P | 92.3 | Very high | 94.7 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 34% | 0.344 | 25% | 0.246 | S | C | . | . | S | Bend | cis | -77.2 | 155.7 | -8.5 | 32.1 | -34.3 | 0 | 0 | 0 | 113.2 | A135 A219 L222 | P133-A135 PolarHBondContact O-N 3.23Å; P133-A135 VanDerWaalsContact O-N 3.15Å; P133-A219 WeakPolarHBondContact CB-O 3.46Å; P133-L222 CarbonylContact C-O 3.46Å; P133-L222 VanDerWaalsContact CA-O 3.27Å; P133-L222 WeakPolarHBondContact CA-O 3.12Å; P133-L222 HydrophobicContact CB-CB 4.27Å |
| 134 | W | 94.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | trans | -65.7 | 109 | 170.1 | 173.5 | -103.4 | 0 | 0 | 0 | 111 | V122 N126 F127 F136 G137 C141 Y144 L222 C224 | V122-W134 HydrophobicContact CG1-CH2 3.68Å; V122-W134 HydrophobicContact CG1-CZ3 4.07Å; N126-W134 HydrophobicContact CB-CE3 3.85Å; N126-W134 HydrophobicContact CB-CZ3 3.8Å; N126-W134 VanDerWaalsContact ND2-CZ3 3.35Å; N126-W134 WeakPolarHBondContact ND2-CZ3 3.15Å; F127-W134 HydrophobicContact CE2-CZ3 4.3Å; F127-W134 HydrophobicContact CZ-CZ3 4.05Å; W134-F136 HydrophobicContact CD2-CD2 4.34Å; W134-F136 HydrophobicContact CE3-CD2 4.28Å; W134-F136 HydrophobicContact CH2-CB 4.38Å; W134-F136 AromaticContact CH2-CD2 3.65Å; W134-F136 HydrophobicContact CH2-CD2 3.65Å; W134-F136 HydrophobicContact CH2-CE2 4.46Å; W134-F136 HydrophobicContact CH2-CG 4.42Å; W134-F136 HydrophobicContact CZ2-CB 3.59Å; W134-F136 AromaticContact CZ2-CD2 3.71Å; W134-F136 HydrophobicContact CZ2-CD2 3.71Å; W134-F136 HydrophobicContact CZ2-CG 4.1Å; W134-F136 AromaticContact CZ3-CD2 3.94Å; W134-F136 HydrophobicContact CZ3-CD2 3.94Å; W134-F136 PolarHBondContact O-N 2.9Å; W134-G137 VanDerWaalsContact NE1-N 3.2Å; W134-G137 PolarHBondContact NE1-O 3.47Å; W134-C141 HydrophobicContact CZ2-CB 4.03Å; W134-Y144 HydrophobicContact CH2-CG 4.48Å; W134-L222 PolarHBondContact N-O 2.53Å; W134-C224 HydrophobicContact CB-CB 4.33Å; W134-C224 HydrophobicContact CD2-CB 3.47Å; W134-C224 VanDerWaalsContact CD2-CB 3.47Å; W134-C224 HydrophobicContact CE3-CB 3.6Å; W134-C224 HydrophobicContact CG-CB 3.79Å; W134-C224 HydrophobicContact CH2-CB 4.49Å; W134-C224 HydrophobicContact CZ2-CB 4.38Å; W134-C224 HydrophobicContact CZ3-CB 4.13Å | ||
| 135 | A | 94.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y125 N126 P133 | Y125-A135 HydrophobicContact CE1-CB 3.93Å; N126-A135 PolarHBondContact ND2-N 3.32Å; P133-A135 PolarHBondContact O-N 3.23Å; P133-A135 VanDerWaalsContact O-N 3.15Å |
| 136 | F | 95.8 | Very high | 95.1 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 5.4 | -170.7 | -53.2 | -80.3 | 0 | 0 | 0 | 114.5 | V122 Y125 N126 W134 G140 | V122-F136 HydrophobicContact CB-CE2 4.34Å; V122-F136 HydrophobicContact CG1-CD2 4.01Å; V122-F136 HydrophobicContact CG1-CE2 3.73Å; V122-F136 HydrophobicContact CG1-CZ 4.42Å; V122-F136 HydrophobicContact CG2-CE2 4.31Å; V122-F136 HydrophobicContact CG2-CZ 4.2Å; Y125-F136 HydrophobicContact CD1-CE2 4.12Å; Y125-F136 HydrophobicContact CD1-CZ 4.13Å; N126-F136 HydrophobicContact CB-CE2 4.42Å; N126-F136 WeakPolarHBondContact ND2-CD2 3.5Å; N126-F136 WeakPolarHBondContact ND2-CE2 3.42Å; W134-F136 HydrophobicContact CD2-CD2 4.34Å; W134-F136 HydrophobicContact CE3-CD2 4.28Å; W134-F136 HydrophobicContact CH2-CB 4.38Å; W134-F136 AromaticContact CH2-CD2 3.65Å; W134-F136 HydrophobicContact CH2-CD2 3.65Å; W134-F136 HydrophobicContact CH2-CE2 4.46Å; W134-F136 HydrophobicContact CH2-CG 4.42Å; W134-F136 HydrophobicContact CZ2-CB 3.59Å; W134-F136 AromaticContact CZ2-CD2 3.71Å; W134-F136 HydrophobicContact CZ2-CD2 3.71Å; W134-F136 HydrophobicContact CZ2-CG 4.1Å; W134-F136 AromaticContact CZ3-CD2 3.94Å; W134-F136 HydrophobicContact CZ3-CD2 3.94Å; W134-F136 PolarHBondContact O-N 2.9Å; F136-G140 WeakPolarHBondContact O-CA 3.31Å; F136-G140 PolarHBondContact O-N 3.37Å |
| 137 | G | 95.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | 64.6 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | W134 A139 G140 C141 E209 | W134-G137 VanDerWaalsContact NE1-N 3.2Å; W134-G137 PolarHBondContact NE1-O 3.47Å; G137-A139 PolarHBondContact O-N 3.17Å; G137-G140 WeakPolarHBondContact O-CA 3.45Å; G137-G140 PolarHBondContact O-N 3.14Å; G137-G140 VanDerWaalsContact O-N 3.12Å; G137-C141 PolarHBondContact O-N 3.29Å; G137-E209 VanDerWaalsContact C-OE2 3.31Å; G137-E209 WeakPolarHBondContact CA-OE2 3.15Å |
| 138 | D | 96.7 | Very high | 95.4 | Very high | 58 Ų | 58 | 44.4 Ų | 44.4 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -47.4 | -175.4 | -176.9 | 70.7 | 0 | 0 | 0 | 113.7 | G140 C141 R142 G208 E209 | D138-G140 VanDerWaalsContact C-N 3.26Å; D138-G140 PolarHBondContact O-N 3.42Å; D138-C141 WeakPolarHBondContact O-CB 3.44Å; D138-C141 PolarHBondContact O-N 2.9Å; D138-C141 VanDerWaalsContact O-N 3.1Å; D138-R142 PolarHBondContact O-N 2.93Å; D138-R142 IonicContact OD1-CZ 3.35Å; D138-R142 IonicContact OD1-NE 3.34Å; D138-R142 PolarHBondContact OD1-NE 3.37Å; D138-R142 IonicContact OD1-NH2 2.85Å; D138-R142 PolarHBondContact OD1-NH2 3.44Å; D138-R142 VanDerWaalsContact OD1-NH2 3.08Å; D138-R142 IonicContact OD2-CZ 3.39Å; D138-R142 IonicContact OD2-NE 3.08Å; D138-R142 PolarHBondContact OD2-NE 3.28Å; D138-R142 IonicContact OD2-NH2 3.62Å; D138-R142 PolarHBondContact OD2-NH2 3.03Å; D138-G208 WeakPolarHBondContact OD1-CA 3.32Å; D138-E209 HydrophobicContact CB-CB 3.78Å; D138-E209 PolarHBondContact N-OE2 3.5Å; D138-E209 PolarHBondContact OD1-N 3.36Å |
| 139 | A | 97.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G137 G143 | G137-A139 PolarHBondContact O-N 3.17Å; A139-G143 PolarHBondContact O-N 3.46Å |
| 140 | G | 97.1 | Very high | 95.8 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F136 G137 D138 Y144 | F136-G140 WeakPolarHBondContact O-CA 3.31Å; F136-G140 PolarHBondContact O-N 3.37Å; G137-G140 WeakPolarHBondContact O-CA 3.45Å; G137-G140 PolarHBondContact O-N 3.14Å; G137-G140 VanDerWaalsContact O-N 3.12Å; D138-G140 VanDerWaalsContact C-N 3.26Å; D138-G140 PolarHBondContact O-N 3.42Å; G140-Y144 WeakPolarHBondContact O-CB 3.47Å; G140-Y144 PolarHBondContact O-N 3.24Å |
| 141 | C | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -52.1 | 177.4 | 177.9 | 0 | 0 | 0 | 0 | 111.6 | W134 G137 D138 Y144 Y145 G208 C224 | W134-C141 HydrophobicContact CZ2-CB 4.03Å; G137-C141 PolarHBondContact O-N 3.29Å; D138-C141 WeakPolarHBondContact O-CB 3.44Å; D138-C141 PolarHBondContact O-N 2.9Å; D138-C141 VanDerWaalsContact O-N 3.1Å; C141-Y144 PolarHBondContact O-N 3.1Å; C141-Y145 WeakPolarHBondContact O-CD2 3.35Å; C141-Y145 PolarHBondContact O-N 3.45Å; C141-G208 PolarHBondContact SG-O 3.13Å; C141-G208 VanDerWaalsContact SG-O 3.35Å; C141-C224 WeakPolarHBondContact CA-SG 3.29Å; C141-C224 HydrophobicContact CB-CB 3.79Å; C141-C224 WeakPolarHBondContact CB-SG 3.18Å; C141-C224 VanDerWaalsContact SG-CA 3.51Å; C141-C224 WeakPolarHBondContact SG-CB 3.23Å; C141-C224 CovalentContact SG-SG 2.02Å; C141-C224 PolarHBondContact SG-SG 3.44Å |
| 142 | R | 98.3 | Very high | 96.4 | Very high | 69 Ų | 69 | 35.8 Ų | 35.8 | 26% | 0.26 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.6 | -49 | 177.5 | -66.9 | 176.4 | -166.8 | -75.3 | -13.5 | 111.6 | D138 Y144 Y145 F146 L204 M207 | D138-R142 PolarHBondContact O-N 2.93Å; D138-R142 IonicContact OD1-CZ 3.35Å; D138-R142 IonicContact OD1-NE 3.34Å; D138-R142 PolarHBondContact OD1-NE 3.37Å; D138-R142 IonicContact OD1-NH2 2.85Å; D138-R142 PolarHBondContact OD1-NH2 3.44Å; D138-R142 VanDerWaalsContact OD1-NH2 3.08Å; D138-R142 IonicContact OD2-CZ 3.39Å; D138-R142 IonicContact OD2-NE 3.08Å; D138-R142 PolarHBondContact OD2-NE 3.28Å; D138-R142 IonicContact OD2-NH2 3.62Å; D138-R142 PolarHBondContact OD2-NH2 3.03Å; R142-Y144 PolarHBondContact O-N 2.86Å; R142-Y145 PolarHBondContact O-N 3.15Å; R142-F146 WeakPolarHBondContact O-CB 3.5Å; R142-F146 PolarHBondContact O-N 2.86Å; R142-L204 HydrophobicContact CB-CD2 4.12Å; R142-L204 WeakPolarHBondContact CD-O 3.38Å; R142-L204 PolarHBondContact NH1-O 2.85Å; R142-M207 WeakPolarHBondContact CG-O 3.4Å; R142-M207 PolarHBondContact NH1-O 2.99Å |
| 143 | G | 98 | Very high | 97 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A139 F146 L147 | A139-G143 PolarHBondContact O-N 3.46Å; G143-F146 PolarHBondContact O-N 3.37Å; G143-L147 WeakPolarHBondContact O-CB 3.5Å; G143-L147 VanDerWaalsContact O-CG 3.26Å; G143-L147 WeakPolarHBondContact O-CG 3.49Å; G143-L147 PolarHBondContact O-N 3.07Å |
| 144 | Y | 98.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | 177.3 | 169.4 | -96.8 | 0 | 0 | 0 | 111.7 | A119 V122 E123 F127 W134 G140 C141 R142 F146 L147 R148 | A119-Y144 HydrophobicContact CB-CE2 4.3Å; V122-Y144 HydrophobicContact CB-CD2 3.8Å; V122-Y144 HydrophobicContact CB-CE2 3.75Å; V122-Y144 HydrophobicContact CG1-CD2 3.49Å; V122-Y144 VanDerWaalsContact CG1-CD2 3.49Å; V122-Y144 HydrophobicContact CG1-CE2 3.65Å; V122-Y144 HydrophobicContact CG1-CG 4.11Å; V122-Y144 HydrophobicContact CG2-CD2 4.31Å; E123-Y144 PolarHBondContact OE2-OH 3.32Å; F127-Y144 HydrophobicContact CD2-CE1 4.5Å; F127-Y144 HydrophobicContact CE2-CD1 4.26Å; F127-Y144 AromaticContact CE2-CE1 3.5Å; F127-Y144 HydrophobicContact CE2-CE1 3.5Å; F127-Y144 VanDerWaalsContact CE2-CE1 3.5Å; F127-Y144 AromaticContact CE2-CZ 3.71Å; F127-Y144 HydrophobicContact CZ-CE1 4.1Å; W134-Y144 HydrophobicContact CH2-CG 4.48Å; G140-Y144 WeakPolarHBondContact O-CB 3.47Å; G140-Y144 PolarHBondContact O-N 3.24Å; C141-Y144 PolarHBondContact O-N 3.1Å; R142-Y144 PolarHBondContact O-N 2.86Å; Y144-F146 VanDerWaalsContact C-N 3.35Å; Y144-F146 PolarHBondContact O-N 2.77Å; Y144-L147 PolarHBondContact O-N 3.04Å; Y144-R148 VanDerWaalsContact O-CB 3.23Å; Y144-R148 WeakPolarHBondContact O-CB 3.34Å; Y144-R148 PolarHBondContact O-N 3.26Å; Y144-R148 PolarHBondContact OH-NH1 3.44Å |
| 145 | Y | 98 | Very high | 97.4 | Very high | 35 Ų | 35 | 30.9 Ų | 30.9 | 14% | 0.137 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | -178.7 | -82.8 | -72.4 | 0 | 0 | 0 | 112.4 | F127 C141 R142 D149 M207 C224 | F127-Y145 HydrophobicContact CZ-CE2 4.42Å; C141-Y145 WeakPolarHBondContact O-CD2 3.35Å; C141-Y145 PolarHBondContact O-N 3.45Å; R142-Y145 PolarHBondContact O-N 3.15Å; Y145-D149 WeakPolarHBondContact O-CB 3.43Å; Y145-D149 PolarHBondContact O-N 3.03Å; Y145-M207 HydrophobicContact CD1-CE 3.84Å; Y145-M207 HydrophobicContact CD1-CG 4.29Å; Y145-M207 HydrophobicContact CD2-CB 3.77Å; Y145-M207 HydrophobicContact CD2-CE 4.25Å; Y145-M207 HydrophobicContact CD2-CG 3.54Å; Y145-M207 HydrophobicContact CD2-SD 3.95Å; Y145-M207 HydrophobicContact CE1-CE 3.65Å; Y145-M207 HydrophobicContact CE2-CB 4.44Å; Y145-M207 HydrophobicContact CE2-CE 4.04Å; Y145-M207 HydrophobicContact CE2-CG 4.07Å; Y145-M207 HydrophobicContact CE2-SD 3.83Å; Y145-M207 HydrophobicContact CG-CB 4.23Å; Y145-M207 HydrophobicContact CG-CE 4.14Å; Y145-M207 HydrophobicContact CG-CG 3.65Å; Y145-M207 HydrophobicContact CG-SD 4.32Å; Y145-C224 WeakPolarHBondContact CE2-SG 3.42Å |
| 146 | F | 98.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 28 Ų | 28 | 21% | 0.206 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -52.7 | 171.7 | 170.5 | -99.5 | 0 | 0 | 0 | 112 | R142 G143 Y144 R148 D149 A150 A197 A200 V201 L204 | R142-F146 WeakPolarHBondContact O-CB 3.5Å; R142-F146 PolarHBondContact O-N 2.86Å; G143-F146 PolarHBondContact O-N 3.37Å; Y144-F146 VanDerWaalsContact C-N 3.35Å; Y144-F146 PolarHBondContact O-N 2.77Å; F146-R148 PolarHBondContact O-N 3.48Å; F146-D149 PolarHBondContact O-N 3.3Å; F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 2.77Å; F146-A197 WeakPolarHBondContact CE2-O 3.49Å; F146-A197 HydrophobicContact CZ-CB 4.44Å; F146-A200 HydrophobicContact CD2-CB 3.85Å; F146-A200 HydrophobicContact CE2-CB 3.99Å; F146-V201 HydrophobicContact CE2-CG2 4.35Å; F146-L204 HydrophobicContact CB-CD2 3.52Å; F146-L204 HydrophobicContact CB-CG 3.87Å; F146-L204 HydrophobicContact CD2-CD1 3.86Å; F146-L204 HydrophobicContact CD2-CD2 4.25Å; F146-L204 HydrophobicContact CD2-CG 3.83Å; F146-L204 HydrophobicContact CE2-CD1 4.26Å; F146-L204 HydrophobicContact CG-CD1 4.27Å; F146-L204 HydrophobicContact CG-CD2 3.89Å; F146-L204 HydrophobicContact CG-CG 3.99Å |
| 147 | L | 97.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 24.9 Ų | 24.9 | 40% | 0.398 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.3 | -42.1 | -178.5 | -72.3 | 169.8 | 0 | 0 | 0 | 111.5 | L118 G143 Y144 A150 C151 | L118-L147 HydrophobicContact CD1-CD1 4.4Å; G143-L147 WeakPolarHBondContact O-CB 3.5Å; G143-L147 VanDerWaalsContact O-CG 3.26Å; G143-L147 WeakPolarHBondContact O-CG 3.49Å; G143-L147 PolarHBondContact O-N 3.07Å; Y144-L147 PolarHBondContact O-N 3.04Å; L147-A150 PolarHBondContact O-N 3.29Å; L147-C151 WeakPolarHBondContact O-CB 3.32Å; L147-C151 PolarHBondContact O-N 3.47Å; L147-C151 PolarHBondContact O-SG 3.43Å |
| 148 | R | 97.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -51.2 | 176.9 | 178.6 | 177.9 | 177.2 | 138.1 | 16.1 | 111.4 | E123 Y144 F146 C151 T152 Y319 N350 | E123-R148 IonicContact OE2-CZ 2.84Å; E123-R148 IonicContact OE2-NH1 3.46Å; E123-R148 PolarHBondContact OE2-NH1 2.86Å; E123-R148 IonicContact OE2-NH2 3.57Å; E123-R148 PolarHBondContact OE2-NH2 2.93Å; Y144-R148 VanDerWaalsContact O-CB 3.23Å; Y144-R148 WeakPolarHBondContact O-CB 3.34Å; Y144-R148 PolarHBondContact O-N 3.26Å; Y144-R148 PolarHBondContact OH-NH1 3.44Å; F146-R148 PolarHBondContact O-N 3.48Å; R148-C151 PolarHBondContact O-N 2.89Å; R148-T152 WeakPolarHBondContact O-CB 3.33Å; R148-T152 PolarHBondContact O-N 3.28Å; R148-T152 PolarHBondContact O-OG1 3.34Å; R148-Y319 PolarHBondContact NE-OH 2.99Å; R148-Y319 VanDerWaalsContact NE-OH 3.15Å; R148-N350 PolarHBondContact NH2-OD1 2.86Å |
| 149 | D | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.6 | -35 | -178.6 | -84.1 | -8.7 | 0 | 0 | 0 | 111.9 | Y145 F146 C151 T152 Y153 A200 M203 N240 R323 | Y145-D149 WeakPolarHBondContact O-CB 3.43Å; Y145-D149 PolarHBondContact O-N 3.03Å; F146-D149 PolarHBondContact O-N 3.3Å; D149-C151 PolarHBondContact O-N 3.26Å; D149-T152 WeakPolarHBondContact O-CB 3.28Å; D149-T152 PolarHBondContact O-N 3.07Å; D149-Y153 HydrophobicContact CB-CE2 4.32Å; D149-Y153 WeakPolarHBondContact O-CD2 3.28Å; D149-Y153 PolarHBondContact O-N 3.13Å; D149-A200 HydrophobicContact CB-CB 4.26Å; D149-M203 HydrophobicContact CB-CG 4.15Å; D149-M203 WeakPolarHBondContact OD2-CE 3.31Å; D149-M203 VanDerWaalsContact OD2-CG 3.28Å; D149-M203 WeakPolarHBondContact OD2-CG 3.29Å; D149-N240 PolarHBondContact OD2-ND2 3.39Å; D149-N240 VanDerWaalsContact OD2-ND2 3.11Å; D149-R323 IonicContact OD1-CZ 2.77Å; D149-R323 IonicContact OD1-NH1 2.83Å; D149-R323 PolarHBondContact OD1-NH1 3.39Å; D149-R323 IonicContact OD1-NH2 3.59Å; D149-R323 IonicContact OD2-CZ 3.36Å; D149-R323 IonicContact OD2-NH1 2.67Å; D149-R323 PolarHBondContact OD2-NH1 3.15Å; D149-R323 IonicContact OD2-NH2 3.46Å; D149-R323 PolarHBondContact OD2-NH2 3.27Å |
| 150 | A | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 17.9 Ų | 17.9 | 11% | 0.107 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F146 L147 T152 Y153 A154 A200 | F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 2.77Å; L147-A150 PolarHBondContact O-N 3.29Å; A150-T152 VanDerWaalsContact C-N 3.33Å; A150-Y153 PolarHBondContact O-N 2.97Å; A150-A154 WeakPolarHBondContact O-CB 3.3Å; A150-A154 PolarHBondContact O-N 2.82Å; A150-A200 HydrophobicContact CB-CB 3.73Å |
| 151 | C | 97.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 17 Ų | 17 | 5% | 0.047 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.5 | -34.1 | 176.6 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | T115 L147 R148 D149 A154 T155 | T115-C151 WeakPolarHBondContact OG1-CB 3.36Å; L147-C151 WeakPolarHBondContact O-CB 3.32Å; L147-C151 PolarHBondContact O-N 3.47Å; L147-C151 PolarHBondContact O-SG 3.43Å; R148-C151 PolarHBondContact O-N 2.89Å; D149-C151 PolarHBondContact O-N 3.26Å; C151-A154 PolarHBondContact O-N 3.17Å; C151-T155 WeakPolarHBondContact O-CB 3.22Å; C151-T155 PolarHBondContact O-N 3.03Å; C151-T155 PolarHBondContact O-OG1 3.3Å |
| 152 | T | 97 | Very high | 97 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -51.9 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | R148 D149 A150 A154 T155 A156 W316 F353 | R148-T152 WeakPolarHBondContact O-CB 3.33Å; R148-T152 PolarHBondContact O-N 3.28Å; R148-T152 PolarHBondContact O-OG1 3.34Å; D149-T152 WeakPolarHBondContact O-CB 3.28Å; D149-T152 PolarHBondContact O-N 3.07Å; A150-T152 VanDerWaalsContact C-N 3.33Å; T152-A154 VanDerWaalsContact C-N 3.34Å; T152-A154 PolarHBondContact O-N 3.44Å; T152-T155 PolarHBondContact O-N 3.1Å; T152-A156 PolarHBondContact O-N 3.39Å; T152-W316 HydrophobicContact CG2-CE3 4.39Å; T152-W316 HydrophobicContact CG2-CH2 3.72Å; T152-W316 HydrophobicContact CG2-CZ3 3.49Å; T152-W316 VanDerWaalsContact CG2-CZ3 3.49Å; T152-W316 VanDerWaalsContact O-CH2 3.29Å; T152-W316 WeakPolarHBondContact O-CH2 3.35Å; T152-F353 HydrophobicContact CG2-CE2 4.1Å; T152-F353 WeakPolarHBondContact OG1-CZ 3.43Å |
| 153 | Y | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 2% | 0.02 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 175.1 | -71.8 | -60 | 0 | 0 | 0 | 112.2 | D149 A150 T155 A156 L157 L199 A200 N240 M243 | D149-Y153 HydrophobicContact CB-CE2 4.32Å; D149-Y153 WeakPolarHBondContact O-CD2 3.28Å; D149-Y153 PolarHBondContact O-N 3.13Å; A150-Y153 PolarHBondContact O-N 2.97Å; Y153-T155 VanDerWaalsContact C-N 3.32Å; Y153-T155 PolarHBondContact O-N 3.39Å; Y153-A156 PolarHBondContact O-N 3.06Å; Y153-L157 WeakPolarHBondContact O-CB 3.44Å; Y153-L157 VanDerWaalsContact O-CG 3.31Å; Y153-L157 WeakPolarHBondContact O-CG 3.32Å; Y153-L157 PolarHBondContact O-N 3.14Å; Y153-L199 HydrophobicContact CD1-CB 4.34Å; Y153-L199 HydrophobicContact CD1-CD1 4.03Å; Y153-L199 HydrophobicContact CD2-CB 3.75Å; Y153-L199 HydrophobicContact CE1-CB 4.16Å; Y153-L199 HydrophobicContact CE1-CD1 4.17Å; Y153-L199 HydrophobicContact CE2-CB 3.57Å; Y153-L199 WeakPolarHBondContact CE2-O 3.44Å; Y153-L199 HydrophobicContact CG-CB 4.14Å; Y153-L199 HydrophobicContact CG-CD1 4.34Å; Y153-A200 HydrophobicContact CD2-CB 4.3Å; Y153-A200 HydrophobicContact CE2-CB 4.36Å; Y153-N240 VanDerWaalsContact CZ-ND2 3.31Å; Y153-N240 VanDerWaalsContact OH-CA 3.23Å; Y153-N240 WeakPolarHBondContact OH-CA 3.47Å; Y153-N240 WeakPolarHBondContact OH-CB 3.27Å; Y153-N240 PolarHBondContact OH-ND2 3.29Å; Y153-M243 HydrophobicContact CE1-CB 3.82Å |
| 154 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -45.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | A150 C151 T152 N158 W193 S196 | A150-A154 WeakPolarHBondContact O-CB 3.3Å; A150-A154 PolarHBondContact O-N 2.82Å; C151-A154 PolarHBondContact O-N 3.17Å; T152-A154 VanDerWaalsContact C-N 3.34Å; T152-A154 PolarHBondContact O-N 3.44Å; A154-N158 WeakPolarHBondContact O-CB 3.49Å; A154-N158 PolarHBondContact O-N 2.97Å; A154-N158 PolarHBondContact O-ND2 3.11Å; A154-W193 HydrophobicContact CB-CE3 4.38Å; A154-W193 HydrophobicContact CB-CH2 4.47Å; A154-W193 HydrophobicContact CB-CZ3 4.34Å; A154-S196 WeakPolarHBondContact CA-OG 3.39Å; A154-S196 PolarHBondContact N-OG 3.19Å; A154-S196 VanDerWaalsContact N-OG 3.14Å |
| 155 | T | 96.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63 | -50 | 178.4 | -57 | 0 | 0 | 0 | 0 | 110.8 | L108 S111 C151 T152 Y153 L157 N158 V159 W316 | L108-T155 HydrophobicContact CD1-CG2 3.73Å; S111-T155 WeakPolarHBondContact CB-OG1 3.31Å; S111-T155 PolarHBondContact OG-OG1 3.23Å; C151-T155 WeakPolarHBondContact O-CB 3.22Å; C151-T155 PolarHBondContact O-N 3.03Å; C151-T155 PolarHBondContact O-OG1 3.3Å; T152-T155 PolarHBondContact O-N 3.1Å; Y153-T155 VanDerWaalsContact C-N 3.32Å; Y153-T155 PolarHBondContact O-N 3.39Å; T155-L157 PolarHBondContact O-N 3.47Å; T155-N158 PolarHBondContact O-N 3.46Å; T155-V159 WeakPolarHBondContact O-CG2 2.91Å; T155-V159 PolarHBondContact O-N 2.94Å; T155-W316 HydrophobicContact CG2-CH2 4.3Å; T155-W316 HydrophobicContact CG2-CZ2 3.84Å |
| 156 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.6 | -47.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T152 Y153 V159 A160 S244 P248 W316 | T152-A156 PolarHBondContact O-N 3.39Å; Y153-A156 PolarHBondContact O-N 3.06Å; A156-V159 PolarHBondContact O-N 3.37Å; A156-A160 WeakPolarHBondContact O-CB 3.2Å; A156-A160 PolarHBondContact O-N 2.94Å; A156-S244 VanDerWaalsContact CB-O 3.24Å; A156-S244 WeakPolarHBondContact CB-O 3.31Å; A156-P248 HydrophobicContact CB-CB 4.21Å; A156-P248 HydrophobicContact CB-CG 3.85Å; A156-W316 HydrophobicContact CB-CH2 3.71Å; A156-W316 HydrophobicContact CB-CZ3 3.6Å |
| 157 | L | 97.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 17.5 Ų | 17.5 | 15% | 0.147 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.1 | -34.4 | 179.7 | -67.4 | 177.1 | 0 | 0 | 0 | 111.9 | Y153 T155 S161 I192 F247 | Y153-L157 WeakPolarHBondContact O-CB 3.44Å; Y153-L157 VanDerWaalsContact O-CG 3.31Å; Y153-L157 WeakPolarHBondContact O-CG 3.32Å; Y153-L157 PolarHBondContact O-N 3.14Å; T155-L157 PolarHBondContact O-N 3.47Å; L157-S161 WeakPolarHBondContact O-CB 3.5Å; L157-S161 PolarHBondContact O-N 3.34Å; L157-I192 HydrophobicContact CB-CG2 3.59Å; L157-I192 HydrophobicContact CD1-CG2 4.3Å; L157-F247 HydrophobicContact CD2-CD1 4.34Å; L157-F247 HydrophobicContact CD2-CE1 4.04Å |
| 158 | N | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 172.9 | -82.5 | -53.1 | 0 | 0 | 0 | 111.8 | S107 L108 A154 T155 S161 L162 | S107-N158 WeakPolarHBondContact CB-OD1 3.34Å; S107-N158 VanDerWaalsContact OG-CG 3.26Å; S107-N158 PolarHBondContact OG-ND2 3.31Å; S107-N158 PolarHBondContact OG-OD1 3.05Å; L108-N158 HydrophobicContact CB-CB 4.3Å; L108-N158 HydrophobicContact CD1-CB 3.81Å; A154-N158 WeakPolarHBondContact O-CB 3.49Å; A154-N158 PolarHBondContact O-N 2.97Å; A154-N158 PolarHBondContact O-ND2 3.11Å; T155-N158 PolarHBondContact O-N 3.46Å; N158-S161 PolarHBondContact O-N 3.04Å; N158-L162 WeakPolarHBondContact O-CB 3.44Å; N158-L162 PolarHBondContact O-N 3.01Å |
| 159 | V | 94.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 17.7 Ų | 17.7 | 9% | 0.085 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | L108 T155 A156 L162 S163 I252 V308 | L108-V159 HydrophobicContact CD1-CG2 3.69Å; L108-V159 HydrophobicContact CD2-CG2 4.08Å; T155-V159 WeakPolarHBondContact O-CG2 2.91Å; T155-V159 PolarHBondContact O-N 2.94Å; A156-V159 PolarHBondContact O-N 3.37Å; V159-L162 PolarHBondContact O-N 3.49Å; V159-S163 PolarHBondContact O-N 3.1Å; V159-S163 VanDerWaalsContact O-N 3.1Å; V159-S163 PolarHBondContact O-OG 2.98Å; V159-S163 VanDerWaalsContact O-OG 3.05Å; V159-I252 HydrophobicContact CB-CD1 4.12Å; V159-I252 HydrophobicContact CG1-CD1 3.55Å; V159-I252 HydrophobicContact CG1-CG1 4.14Å; V159-V308 HydrophobicContact CG1-CG1 4.5Å |
| 160 | A | 96.1 | Very high | 94.5 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A156 L162 S163 V164 P248 V251 I252 | A156-A160 WeakPolarHBondContact O-CB 3.2Å; A156-A160 PolarHBondContact O-N 2.94Å; A160-L162 VanDerWaalsContact C-N 3.33Å; A160-L162 PolarHBondContact O-N 3.32Å; A160-S163 WeakPolarHBondContact O-CA 3.48Å; A160-S163 WeakPolarHBondContact O-CB 3.23Å; A160-S163 PolarHBondContact O-N 2.78Å; A160-V164 PolarHBondContact O-N 3Å; A160-P248 HydrophobicContact CB-CB 4.29Å; A160-V251 HydrophobicContact CB-CB 4.47Å; A160-V251 HydrophobicContact CB-CG1 4.14Å; A160-I252 HydrophobicContact CB-CG1 4.23Å |
| 161 | S | 94.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 20.9 Ų | 20.9 | 6% | 0.056 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | H104 L157 N158 S163 V164 E165 F188 | H104-S161 PolarHBondContact CE1-OG 2.86Å; H104-S161 PolarHBondContact ND1-OG 3.25Å; L157-S161 WeakPolarHBondContact O-CB 3.5Å; L157-S161 PolarHBondContact O-N 3.34Å; N158-S161 PolarHBondContact O-N 3.04Å; S161-S163 PolarHBondContact O-N 2.91Å; S161-V164 PolarHBondContact O-N 3.48Å; S161-E165 WeakPolarHBondContact O-CB 3.44Å; S161-E165 PolarHBondContact O-N 3.47Å; S161-F188 WeakPolarHBondContact OG-CE1 3.43Å |
| 162 | L | 91.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.6 | -32.4 | 176.4 | -179 | 63.3 | 0 | 0 | 0 | 111.6 | V101 H104 L105 N158 V159 A160 R166 Y364 | V101-L162 HydrophobicContact CG1-CD1 4.08Å; H104-L162 HydrophobicContact CB-CD1 4Å; L105-L162 HydrophobicContact CD1-CD1 4.2Å; N158-L162 WeakPolarHBondContact O-CB 3.44Å; N158-L162 PolarHBondContact O-N 3.01Å; V159-L162 PolarHBondContact O-N 3.49Å; A160-L162 VanDerWaalsContact C-N 3.33Å; A160-L162 PolarHBondContact O-N 3.32Å; L162-R166 WeakPolarHBondContact O-CB 3.32Å; L162-R166 VanDerWaalsContact O-CG 3.23Å; L162-R166 WeakPolarHBondContact O-CG 3.34Å; L162-R166 PolarHBondContact O-N 3.01Å; L162-R166 VanDerWaalsContact O-N 3.07Å; L162-Y364 HydrophobicContact CD2-CE1 4.07Å; L162-Y364 WeakPolarHBondContact CD2-OH 3.45Å |
| 163 | S | 93.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.5 | -40.6 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | V159 A160 S161 R166 Y167 N256 | V159-S163 PolarHBondContact O-N 3.1Å; V159-S163 VanDerWaalsContact O-N 3.1Å; V159-S163 PolarHBondContact O-OG 2.98Å; V159-S163 VanDerWaalsContact O-OG 3.05Å; A160-S163 WeakPolarHBondContact O-CA 3.48Å; A160-S163 WeakPolarHBondContact O-CB 3.23Å; A160-S163 PolarHBondContact O-N 2.78Å; S161-S163 PolarHBondContact O-N 2.91Å; S163-R166 PolarHBondContact O-N 3.5Å; S163-Y167 WeakPolarHBondContact O-CB 3.43Å; S163-Y167 PolarHBondContact O-N 2.81Å; S163-N256 PolarHBondContact OG-ND2 3.29Å |
| 164 | V | 93.9 | Very high | 92.8 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 33% | 0.333 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 173.1 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | A160 S161 R166 Y167 L168 V251 L255 | A160-V164 PolarHBondContact O-N 3Å; S161-V164 PolarHBondContact O-N 3.48Å; V164-R166 VanDerWaalsContact C-N 3.35Å; V164-R166 PolarHBondContact O-N 2.97Å; V164-Y167 WeakPolarHBondContact O-CB 3.25Å; V164-Y167 PolarHBondContact O-N 2.93Å; V164-Y167 VanDerWaalsContact O-N 3.17Å; V164-L168 HydrophobicContact CG1-CD1 4.23Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.27Å; V164-V251 HydrophobicContact CG2-CG1 4.12Å; V164-L255 HydrophobicContact CB-CD1 4.2Å; V164-L255 HydrophobicContact CG2-CD1 3.49Å; V164-L255 VanDerWaalsContact CG2-CD1 3.49Å |
| 165 | E | 91.1 | Very high | 92.3 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.5 | -49.4 | 176.8 | 179.4 | 78.6 | 174.6 | 0 | 0 | 111.5 | T100 V101 H104 S161 L168 A169 M180 | T100-E165 WeakPolarHBondContact CB-OE1 3.18Å; T100-E165 PolarHBondContact OG1-OE1 3.35Å; V101-E165 HydrophobicContact CG2-CG 3.86Å; H104-E165 IonicContact NE2-OE2 4Å; S161-E165 WeakPolarHBondContact O-CB 3.44Å; S161-E165 PolarHBondContact O-N 3.47Å; E165-L168 PolarHBondContact O-N 3.16Å; E165-A169 WeakPolarHBondContact O-CB 3.5Å; E165-A169 PolarHBondContact O-N 3.03Å; E165-M180 HydrophobicContact CG-CE 3.81Å; E165-M180 WeakPolarHBondContact OE1-CE 3.37Å; E165-M180 WeakPolarHBondContact OE2-CE 3.4Å |
| 166 | R | 90.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 40.3 Ų | 40.3 | 23% | 0.226 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.3 | -74.7 | 172.9 | 179.1 | -111.2 | 1.7 | 112.1 | L162 S163 V164 A169 I170 I259 | L162-R166 WeakPolarHBondContact O-CB 3.32Å; L162-R166 VanDerWaalsContact O-CG 3.23Å; L162-R166 WeakPolarHBondContact O-CG 3.34Å; L162-R166 PolarHBondContact O-N 3.01Å; L162-R166 VanDerWaalsContact O-N 3.07Å; S163-R166 PolarHBondContact O-N 3.5Å; V164-R166 VanDerWaalsContact C-N 3.35Å; V164-R166 PolarHBondContact O-N 2.97Å; R166-A169 PolarHBondContact O-N 2.78Å; R166-I170 WeakPolarHBondContact O-CB 3.22Å; R166-I170 WeakPolarHBondContact O-CG1 3.49Å; R166-I170 PolarHBondContact O-N 3.31Å; R166-I259 HydrophobicContact CB-CD1 3.97Å |
| 167 | Y | 93.1 | Very high | 91.1 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 176.6 | 168 | -104.7 | 0 | 0 | 0 | 111.2 | S163 V164 A169 I170 C171 H172 L255 I258 I259 | S163-Y167 WeakPolarHBondContact O-CB 3.43Å; S163-Y167 PolarHBondContact O-N 2.81Å; V164-Y167 WeakPolarHBondContact O-CB 3.25Å; V164-Y167 PolarHBondContact O-N 2.93Å; V164-Y167 VanDerWaalsContact O-N 3.17Å; Y167-A169 PolarHBondContact O-N 3.05Å; Y167-I170 PolarHBondContact O-N 3.46Å; Y167-C171 HydrophobicContact CD2-CB 3.88Å; Y167-C171 HydrophobicContact CE2-CB 3.64Å; Y167-C171 VanDerWaalsContact O-CB 3.25Å; Y167-C171 WeakPolarHBondContact O-CB 3.34Å; Y167-C171 PolarHBondContact O-N 2.96Å; Y167-H172 AromaticContact CE1-CD2 3.81Å; Y167-H172 AromaticContact CZ-CD2 3.69Å; Y167-H172 AromaticContact CZ-NE2 3.59Å; Y167-H172 PolarHBondContact OH-NE2 3.16Å; Y167-L255 HydrophobicContact CD1-CD2 4.09Å; Y167-L255 HydrophobicContact CD2-CD2 4.17Å; Y167-L255 HydrophobicContact CG-CD2 3.89Å; Y167-I258 HydrophobicContact CD2-CG2 4.26Å; Y167-I258 HydrophobicContact CE2-CG2 3.84Å; Y167-I259 HydrophobicContact CD2-CG1 4.38Å |
| 168 | L | 92 | Very high | 90.4 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177.4 | -69 | 175.4 | 0 | 0 | 0 | 111.3 | V164 E165 I170 H172 A176 M180 | V164-L168 HydrophobicContact CG1-CD1 4.23Å; V164-L168 WeakPolarHBondContact O-CG 3.36Å; V164-L168 PolarHBondContact O-N 3.27Å; E165-L168 PolarHBondContact O-N 3.16Å; L168-I170 PolarHBondContact O-N 2.81Å; L168-H172 CarbonylContact O-C 3.03Å; L168-H172 WeakPolarHBondContact O-CA 3.37Å; L168-H172 PolarHBondContact O-N 2.94Å; L168-H172 VanDerWaalsContact O-O 3.06Å; L168-A176 HydrophobicContact CB-CB 4.43Å; L168-M180 HydrophobicContact CB-SD 3.59Å; L168-M180 VanDerWaalsContact CB-SD 3.59Å; L168-M180 HydrophobicContact CD1-CG 4.48Å; L168-M180 HydrophobicContact CD1-SD 3.85Å; L168-M180 HydrophobicContact CG-SD 4.39Å |
| 169 | A | 88.6 | Confident | 89.8 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E165 R166 Y167 | E165-A169 WeakPolarHBondContact O-CB 3.5Å; E165-A169 PolarHBondContact O-N 3.03Å; R166-A169 PolarHBondContact O-N 2.78Å; Y167-A169 PolarHBondContact O-N 3.05Å |
| 170 | I | 88.9 | Confident | 89.2 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -92 | -45.3 | -174.8 | -63.9 | 168.2 | 0 | 0 | 0 | 111.7 | R166 Y167 L168 I259 K262 L263 | R166-I170 WeakPolarHBondContact O-CB 3.22Å; R166-I170 WeakPolarHBondContact O-CG1 3.49Å; R166-I170 PolarHBondContact O-N 3.31Å; Y167-I170 PolarHBondContact O-N 3.46Å; L168-I170 PolarHBondContact O-N 2.81Å; I170-I259 HydrophobicContact CD1-CG2 3.55Å; I170-I259 HydrophobicContact CG2-CG2 4.41Å; I170-K262 HydrophobicContact CG2-CG 4.36Å; I170-L263 HydrophobicContact CG2-CD2 4.22Å |
| 171 | C | 90.9 | Very high | 88.7 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -88.4 | -27.2 | -173.8 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | Y167 | Y167-C171 HydrophobicContact CD2-CB 3.88Å; Y167-C171 HydrophobicContact CE2-CB 3.64Å; Y167-C171 VanDerWaalsContact O-CB 3.25Å; Y167-C171 WeakPolarHBondContact O-CB 3.34Å; Y167-C171 PolarHBondContact O-N 2.96Å |
| 172 | H | 90.1 | Very high | 88.2 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 29% | 0.292 | 32% | 0.321 | S | S | . | . | trans | -135.2 | 60.2 | -175.4 | -61.9 | -78.9 | 0 | 0 | 0 | 112.5 | Y167 L168 F174 K175 A176 | Y167-H172 AromaticContact CE1-CD2 3.81Å; Y167-H172 AromaticContact CZ-CD2 3.69Å; Y167-H172 AromaticContact CZ-NE2 3.59Å; Y167-H172 PolarHBondContact OH-NE2 3.16Å; L168-H172 CarbonylContact O-C 3.03Å; L168-H172 WeakPolarHBondContact O-CA 3.37Å; L168-H172 PolarHBondContact O-N 2.94Å; L168-H172 VanDerWaalsContact O-O 3.06Å; H172-F174 VanDerWaalsContact C-N 3.31Å; H172-F174 PolarHBondContact O-N 2.86Å; H172-F174 VanDerWaalsContact O-N 3.17Å; H172-K175 HydrophobicContact CB-CB 4.02Å; H172-K175 HydrophobicContact CB-CD 4.21Å; H172-K175 HydrophobicContact CB-CG 4.38Å; H172-K175 WeakPolarHBondContact O-CB 3.4Å; H172-K175 PolarHBondContact O-N 3.4Å; H172-A176 PolarHBondContact O-N 3.37Å | ||
| 173 | P | 87.1 | Confident | 88 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 40% | 0.403 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -33.7 | -168.4 | 23.7 | -35.1 | 0 | 0 | 0 | 114.3 | K177 | P173-K177 WeakPolarHBondContact O-CG 3.48Å; P173-K177 PolarHBondContact O-N 3.07Å |
| 174 | F | 88.2 | Confident | 87.8 | Confident | 165 Ų | 165 | 73 Ų | 73 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.8 | -38.3 | 176.9 | -61.2 | -67.9 | 0 | 0 | 0 | 112.4 | H172 K177 T178 | H172-F174 VanDerWaalsContact C-N 3.31Å; H172-F174 PolarHBondContact O-N 2.86Å; H172-F174 VanDerWaalsContact O-N 3.17Å; F174-K177 PolarHBondContact O-N 3.45Å; F174-T178 PolarHBondContact O-N 2.91Å |
| 175 | K | 87.5 | Confident | 87.7 | Confident | 121 Ų | 121 | 70.6 Ų | 70.6 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 173.8 | -69.3 | -173.5 | 180 | 176.7 | 0 | 111 | H172 K177 T178 L179 | H172-K175 HydrophobicContact CB-CB 4.02Å; H172-K175 HydrophobicContact CB-CD 4.21Å; H172-K175 HydrophobicContact CB-CG 4.38Å; H172-K175 WeakPolarHBondContact O-CB 3.4Å; H172-K175 PolarHBondContact O-N 3.4Å; K175-K177 VanDerWaalsContact C-N 3.31Å; K175-K177 PolarHBondContact O-N 3.42Å; K175-T178 PolarHBondContact O-N 3.25Å; K175-T178 VanDerWaalsContact O-N 3.15Å; K175-T178 PolarHBondContact O-OG1 3.47Å; K175-L179 HydrophobicContact CB-CD1 3.93Å; K175-L179 VanDerWaalsContact O-CB 3.3Å; K175-L179 WeakPolarHBondContact O-CB 3.3Å; K175-L179 WeakPolarHBondContact O-CD1 3.47Å; K175-L179 PolarHBondContact O-N 3.41Å |
| 176 | A | 86 | Confident | 87.7 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 10% | 0.099 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L168 H172 T178 M180 | L168-A176 HydrophobicContact CB-CB 4.43Å; H172-A176 PolarHBondContact O-N 3.37Å; A176-T178 VanDerWaalsContact C-N 3.3Å; A176-T178 PolarHBondContact O-N 3.47Å; A176-M180 HydrophobicContact CB-CE 4.42Å; A176-M180 HydrophobicContact CB-SD 3.66Å; A176-M180 VanDerWaalsContact O-CB 3.24Å; A176-M180 WeakPolarHBondContact O-CB 3.33Å; A176-M180 PolarHBondContact O-N 3.23Å |
| 177 | K | 82 | Confident | 87.9 | Confident | 146 Ų | 146 | 79.8 Ų | 79.8 | 64% | 0.635 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.8 | -34.7 | 177.3 | -72.3 | 179.5 | -179 | -176.7 | 0 | 113.6 | P173 F174 K175 | P173-K177 WeakPolarHBondContact O-CG 3.48Å; P173-K177 PolarHBondContact O-N 3.07Å; F174-K177 PolarHBondContact O-N 3.45Å; K175-K177 VanDerWaalsContact C-N 3.31Å; K175-K177 PolarHBondContact O-N 3.42Å |
| 178 | T | 83.3 | Confident | 88 | Confident | 101 Ų | 101 | 82.2 Ų | 82.2 | 62% | 0.62 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -88.8 | -32.9 | -178 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | F174 K175 A176 R184 | F174-T178 PolarHBondContact O-N 2.91Å; K175-T178 PolarHBondContact O-N 3.25Å; K175-T178 VanDerWaalsContact O-N 3.15Å; K175-T178 PolarHBondContact O-OG1 3.47Å; A176-T178 VanDerWaalsContact C-N 3.3Å; A176-T178 PolarHBondContact O-N 3.47Å; T178-R184 PolarHBondContact O-NH1 3.38Å |
| 179 | L | 81.7 | Confident | 88.2 | Confident | 93 Ų | 93 | 81.1 Ų | 81.1 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -87.6 | -43.4 | -177.4 | -78.8 | 145.6 | 0 | 0 | 0 | 112.7 | K175 S181 R184 | K175-L179 HydrophobicContact CB-CD1 3.93Å; K175-L179 VanDerWaalsContact O-CB 3.3Å; K175-L179 WeakPolarHBondContact O-CB 3.3Å; K175-L179 WeakPolarHBondContact O-CD1 3.47Å; K175-L179 PolarHBondContact O-N 3.41Å; L179-S181 PolarHBondContact O-N 3.41Å; L179-R184 WeakPolarHBondContact O-CD 3.37Å; L179-R184 PolarHBondContact O-NH1 3.02Å; L179-R184 VanDerWaalsContact O-NH1 3.1Å |
| 180 | M | 82 | Confident | 88.6 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 17% | 0.172 | 41% | 0.406 | C | S | . | . | trans | -94 | 83.8 | -167.1 | -63 | 159.8 | 48.2 | 0 | 0 | 111.5 | E165 L168 A176 | E165-M180 HydrophobicContact CG-CE 3.81Å; E165-M180 WeakPolarHBondContact OE1-CE 3.37Å; E165-M180 WeakPolarHBondContact OE2-CE 3.4Å; L168-M180 HydrophobicContact CB-SD 3.59Å; L168-M180 VanDerWaalsContact CB-SD 3.59Å; L168-M180 HydrophobicContact CD1-CG 4.48Å; L168-M180 HydrophobicContact CD1-SD 3.85Å; L168-M180 HydrophobicContact CG-SD 4.39Å; A176-M180 HydrophobicContact CB-CE 4.42Å; A176-M180 HydrophobicContact CB-SD 3.66Å; A176-M180 VanDerWaalsContact O-CB 3.24Å; A176-M180 WeakPolarHBondContact O-CB 3.33Å; A176-M180 PolarHBondContact O-N 3.23Å | ||
| 181 | S | 85.6 | Confident | 89 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 33% | 0.329 | 41% | 0.412 | S | S | . | . | trans | -101.8 | 154.1 | 172 | 79.9 | 0 | 0 | 0 | 0 | 111.4 | L179 S183 R184 T185 | L179-S181 PolarHBondContact O-N 3.41Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.42Å; S181-R184 PolarHBondContact O-N 3.17Å; S181-R184 VanDerWaalsContact O-N 3.07Å; S181-R184 WeakPolarHBondContact OG-CG 3.3Å; S181-R184 PolarHBondContact OG-N 2.91Å; S181-T185 PolarHBondContact O-N 3.01Å; S181-T185 PolarHBondContact O-OG1 3.02Å | ||
| 182 | R | 84.6 | Confident | 89.4 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.2 | -40.8 | -179.3 | -59 | -178.2 | -162.8 | 166.5 | 5.8 | 112.9 | S99 Y103 K186 | S99-R182 PolarHBondContact OG-NE 2.84Å; Y103-R182 HydrophobicContact CE2-CB 4.34Å; Y103-R182 HydrophobicContact CE2-CG 4.44Å; R182-K186 WeakPolarHBondContact O-CG 3.3Å; R182-K186 PolarHBondContact O-N 2.92Å |
| 183 | S | 87.9 | Confident | 89.8 | Confident | 71 Ų | 71 | 82 Ų | 82 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | S181 K186 K187 | S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 3.42Å; S183-K186 PolarHBondContact O-N 3.04Å; S183-K187 WeakPolarHBondContact O-CG 3.26Å; S183-K187 PolarHBondContact O-N 2.98Å |
| 184 | R | 90.1 | Very high | 90.3 | Very high | 137 Ų | 137 | 84.3 Ų | 84.3 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 177.7 | -70.4 | 175.5 | -176.9 | 166.7 | 1.8 | 111.7 | T178 L179 S181 K186 K187 F188 | T178-R184 PolarHBondContact O-NH1 3.38Å; L179-R184 WeakPolarHBondContact O-CD 3.37Å; L179-R184 PolarHBondContact O-NH1 3.02Å; L179-R184 VanDerWaalsContact O-NH1 3.1Å; S181-R184 PolarHBondContact O-N 3.17Å; S181-R184 VanDerWaalsContact O-N 3.07Å; S181-R184 WeakPolarHBondContact OG-CG 3.3Å; S181-R184 PolarHBondContact OG-N 2.91Å; R184-K186 PolarHBondContact O-N 3.3Å; R184-K187 PolarHBondContact O-N 3.42Å; R184-F188 WeakPolarHBondContact O-CB 3.38Å; R184-F188 PolarHBondContact O-N 3.02Å |
| 185 | T | 90.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | T100 Y103 S181 F188 I189 | T100-T185 VanDerWaalsContact CG2-OG1 3.31Å; T100-T185 WeakPolarHBondContact CG2-OG1 3.28Å; Y103-T185 HydrophobicContact CD2-CG2 4.5Å; S181-T185 PolarHBondContact O-N 3.01Å; S181-T185 PolarHBondContact O-OG1 3.02Å; T185-F188 PolarHBondContact O-N 3.42Å; T185-I189 HydrophobicContact CG2-CD1 3.91Å; T185-I189 WeakPolarHBondContact O-CG1 3.47Å; T185-I189 PolarHBondContact O-N 3.37Å |
| 186 | K | 91 | Very high | 91.3 | Very high | 115 Ų | 115 | 72.6 Ų | 72.6 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 175.7 | -74.6 | 177.5 | 65.8 | 179.3 | 0 | 111.9 | Y103 R182 S183 R184 F188 I189 S190 | Y103-K186 HydrophobicContact CD1-CG 4.2Å; Y103-K186 HydrophobicContact CE1-CD 4.12Å; Y103-K186 HydrophobicContact CE1-CG 4.05Å; R182-K186 WeakPolarHBondContact O-CG 3.3Å; R182-K186 PolarHBondContact O-N 2.92Å; S183-K186 PolarHBondContact O-N 3.04Å; R184-K186 PolarHBondContact O-N 3.3Å; K186-F188 VanDerWaalsContact C-N 3.31Å; K186-F188 PolarHBondContact O-N 2.86Å; K186-I189 PolarHBondContact O-N 2.94Å; K186-S190 PolarHBondContact O-N 3.03Å; K186-S190 PolarHBondContact O-OG 3.37Å; K186-S190 VanDerWaalsContact O-OG 3.14Å |
| 187 | K | 94.7 | Very high | 91.9 | Very high | 151 Ų | 151 | 73.7 Ų | 73.7 | 66% | 0.657 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 176.1 | -72.4 | -179.6 | -178.1 | -172.7 | 0 | 111.7 | S183 R184 S190 A191 | S183-K187 WeakPolarHBondContact O-CG 3.26Å; S183-K187 PolarHBondContact O-N 2.98Å; R184-K187 PolarHBondContact O-N 3.42Å; K187-S190 PolarHBondContact O-N 2.93Å; K187-A191 PolarHBondContact O-N 2.96Å |
| 188 | F | 95.2 | Very high | 92.7 | Very high | 108 Ų | 108 | 71.9 Ų | 71.9 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 178.8 | -173.5 | -120.8 | 0 | 0 | 0 | 112.1 | S161 R184 T185 K186 A191 I192 | S161-F188 WeakPolarHBondContact OG-CE1 3.43Å; R184-F188 WeakPolarHBondContact O-CB 3.38Å; R184-F188 PolarHBondContact O-N 3.02Å; T185-F188 PolarHBondContact O-N 3.42Å; K186-F188 VanDerWaalsContact C-N 3.31Å; K186-F188 PolarHBondContact O-N 2.86Å; F188-A191 WeakPolarHBondContact O-CB 3.37Å; F188-A191 PolarHBondContact O-N 3.32Å; F188-A191 VanDerWaalsContact O-N 3.16Å; F188-I192 HydrophobicContact CD1-CD1 4.15Å; F188-I192 HydrophobicContact CE1-CD1 3.93Å; F188-I192 HydrophobicContact CZ-CD1 4.36Å; F188-I192 WeakPolarHBondContact O-CG1 3.38Å; F188-I192 PolarHBondContact O-N 2.88Å |
| 189 | I | 96 | Very high | 93.4 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 173.9 | -71 | 167.3 | 0 | 0 | 0 | 110.7 | Y103 S107 T185 K186 A191 I192 W193 | Y103-I189 VanDerWaalsContact CB-CD1 3.5Å; S107-I189 WeakPolarHBondContact OG-CG2 3.28Å; T185-I189 HydrophobicContact CG2-CD1 3.91Å; T185-I189 WeakPolarHBondContact O-CG1 3.47Å; T185-I189 PolarHBondContact O-N 3.37Å; K186-I189 PolarHBondContact O-N 2.94Å; I189-A191 PolarHBondContact O-N 2.95Å; I189-I192 WeakPolarHBondContact O-CA 3.17Å; I189-I192 WeakPolarHBondContact O-CB 3.46Å; I189-I192 PolarHBondContact O-N 3.16Å; I189-W193 VanDerWaalsContact O-CD1 3.27Å; I189-W193 PolarHBondContact O-N 2.71Å |
| 190 | S | 97.3 | Very high | 94.2 | Very high | 78 Ų | 78 | 65.1 Ų | 65.1 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.7 | -38.1 | 174.6 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | K186 K187 W193 L194 | K186-S190 PolarHBondContact O-N 3.03Å; K186-S190 PolarHBondContact O-OG 3.37Å; K186-S190 VanDerWaalsContact O-OG 3.14Å; K187-S190 PolarHBondContact O-N 2.93Å; S190-W193 PolarHBondContact O-N 2.89Å; S190-L194 PolarHBondContact O-N 3.41Å |
| 191 | A | 98 | Very high | 95 | Very high | 51 Ų | 51 | 66 Ų | 66 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K187 F188 I189 L194 A195 | K187-A191 PolarHBondContact O-N 2.96Å; F188-A191 WeakPolarHBondContact O-CB 3.37Å; F188-A191 PolarHBondContact O-N 3.32Å; F188-A191 VanDerWaalsContact O-N 3.16Å; I189-A191 PolarHBondContact O-N 2.95Å; A191-L194 PolarHBondContact O-N 3.23Å; A191-A195 VanDerWaalsContact O-CB 3.27Å; A191-A195 WeakPolarHBondContact O-CB 3.46Å; A191-A195 PolarHBondContact O-N 2.84Å |
| 192 | I | 98.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 172.9 | -69.8 | 168.3 | 0 | 0 | 0 | 110.6 | L157 F188 I189 A195 S196 | L157-I192 HydrophobicContact CB-CG2 3.59Å; L157-I192 HydrophobicContact CD1-CG2 4.3Å; F188-I192 HydrophobicContact CD1-CD1 4.15Å; F188-I192 HydrophobicContact CE1-CD1 3.93Å; F188-I192 HydrophobicContact CZ-CD1 4.36Å; F188-I192 WeakPolarHBondContact O-CG1 3.38Å; F188-I192 PolarHBondContact O-N 2.88Å; I189-I192 WeakPolarHBondContact O-CA 3.17Å; I189-I192 WeakPolarHBondContact O-CB 3.46Å; I189-I192 PolarHBondContact O-N 3.16Å; I192-A195 PolarHBondContact O-N 3.2Å; I192-S196 VanDerWaalsContact O-CB 3.31Å; I192-S196 WeakPolarHBondContact O-CB 3.07Å; I192-S196 PolarHBondContact O-N 3.47Å; I192-S196 PolarHBondContact O-OG 3.27Å |
| 193 | W | 98.5 | Very high | 96.2 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 178.3 | -80 | 90.3 | 0 | 0 | 0 | 112.1 | S107 L110 L114 A154 I189 S190 S196 A197 | S107-W193 PolarHBondContact OG-NE1 3.01Å; L110-W193 HydrophobicContact CB-CZ2 4.23Å; L110-W193 HydrophobicContact CD2-CH2 4.11Å; L110-W193 HydrophobicContact CD2-CZ2 3.86Å; L110-W193 HydrophobicContact CG-CH2 4Å; L110-W193 HydrophobicContact CG-CZ2 4Å; L114-W193 HydrophobicContact CD1-CH2 3.76Å; L114-W193 HydrophobicContact CD1-CZ3 3.85Å; A154-W193 HydrophobicContact CB-CE3 4.38Å; A154-W193 HydrophobicContact CB-CH2 4.47Å; A154-W193 HydrophobicContact CB-CZ3 4.34Å; I189-W193 VanDerWaalsContact O-CD1 3.27Å; I189-W193 PolarHBondContact O-N 2.71Å; S190-W193 PolarHBondContact O-N 2.89Å; W193-S196 PolarHBondContact O-N 2.93Å; W193-A197 PolarHBondContact O-N 2.97Å |
| 194 | L | 98.5 | Very high | 96.6 | Very high | 110 Ų | 110 | 59.7 Ų | 59.7 | 58% | 0.576 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 176.1 | -179.8 | 61.4 | 0 | 0 | 0 | 111.5 | S190 A191 S196 A197 L198 | S190-L194 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 3.23Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 3.42Å; L194-A197 PolarHBondContact O-N 2.9Å; L194-L198 HydrophobicContact CD1-CD1 4.18Å; L194-L198 HydrophobicContact CD1-CG 4.24Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 HydrophobicContact CG-CG 4.45Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 VanDerWaalsContact O-CG 3.27Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 3.29Å |
| 195 | A | 98.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 59.7 Ų | 59.7 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A191 I192 L198 L199 | A191-A195 VanDerWaalsContact O-CB 3.27Å; A191-A195 WeakPolarHBondContact O-CB 3.46Å; A191-A195 PolarHBondContact O-N 2.84Å; I192-A195 PolarHBondContact O-N 3.2Å; A195-L198 PolarHBondContact O-N 2.9Å; A195-L199 WeakPolarHBondContact O-CB 3.3Å; A195-L199 VanDerWaalsContact O-CG 3.23Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 3.27Å |
| 196 | S | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | A154 I192 W193 L194 A200 | A154-S196 WeakPolarHBondContact CA-OG 3.39Å; A154-S196 PolarHBondContact N-OG 3.19Å; A154-S196 VanDerWaalsContact N-OG 3.14Å; I192-S196 VanDerWaalsContact O-CB 3.31Å; I192-S196 WeakPolarHBondContact O-CB 3.07Å; I192-S196 PolarHBondContact O-N 3.47Å; I192-S196 PolarHBondContact O-OG 3.27Å; W193-S196 PolarHBondContact O-N 2.93Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 3.42Å; S196-A200 WeakPolarHBondContact O-CB 3.18Å; S196-A200 PolarHBondContact O-N 2.98Å |
| 197 | A | 98.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 55.2 Ų | 55.2 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F146 W193 L194 L199 A200 V201 | F146-A197 WeakPolarHBondContact CE2-O 3.49Å; F146-A197 HydrophobicContact CZ-CB 4.44Å; W193-A197 PolarHBondContact O-N 2.97Å; L194-A197 PolarHBondContact O-N 2.9Å; A197-L199 PolarHBondContact O-N 3.27Å; A197-A200 PolarHBondContact O-N 3.28Å; A197-A200 VanDerWaalsContact O-N 3.15Å; A197-V201 PolarHBondContact O-N 3.48Å |
| 198 | L | 98.5 | Very high | 97.6 | Very high | 107 Ų | 107 | 48 Ų | 48 | 56% | 0.56 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 179 | -70.5 | 173.5 | 0 | 0 | 0 | 112.4 | L194 A195 A200 V201 | L194-L198 HydrophobicContact CD1-CD1 4.18Å; L194-L198 HydrophobicContact CD1-CG 4.24Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 HydrophobicContact CG-CG 4.45Å; L194-L198 WeakPolarHBondContact O-CB 3.49Å; L194-L198 VanDerWaalsContact O-CG 3.27Å; L194-L198 WeakPolarHBondContact O-CG 3.48Å; L194-L198 PolarHBondContact O-N 3.29Å; A195-L198 PolarHBondContact O-N 2.9Å; L198-A200 PolarHBondContact O-N 3.48Å; L198-V201 WeakPolarHBondContact O-CB 3.06Å; L198-V201 PolarHBondContact O-N 3.08Å |
| 199 | L | 98.1 | Very high | 97.6 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.6 | -24.3 | 176.3 | -73.2 | 171 | 0 | 0 | 0 | 112.8 | Y153 A195 A197 P202 M243 | Y153-L199 HydrophobicContact CD1-CB 4.34Å; Y153-L199 HydrophobicContact CD1-CD1 4.03Å; Y153-L199 HydrophobicContact CD2-CB 3.75Å; Y153-L199 HydrophobicContact CE1-CB 4.16Å; Y153-L199 HydrophobicContact CE1-CD1 4.17Å; Y153-L199 HydrophobicContact CE2-CB 3.57Å; Y153-L199 WeakPolarHBondContact CE2-O 3.44Å; Y153-L199 HydrophobicContact CG-CB 4.14Å; Y153-L199 HydrophobicContact CG-CD1 4.34Å; A195-L199 WeakPolarHBondContact O-CB 3.3Å; A195-L199 VanDerWaalsContact O-CG 3.23Å; A195-L199 WeakPolarHBondContact O-CG 3.49Å; A195-L199 PolarHBondContact O-N 3.27Å; A197-L199 PolarHBondContact O-N 3.27Å; L199-P202 WeakPolarHBondContact O-CD 3.33Å; L199-M243 HydrophobicContact CD1-CB 4.48Å; L199-M243 HydrophobicContact CD2-CG 4.44Å |
| 200 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -85.9 | -14.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F146 D149 A150 Y153 S196 A197 L198 P202 M203 | F146-A200 HydrophobicContact CD2-CB 3.85Å; F146-A200 HydrophobicContact CE2-CB 3.99Å; D149-A200 HydrophobicContact CB-CB 4.26Å; A150-A200 HydrophobicContact CB-CB 3.73Å; Y153-A200 HydrophobicContact CD2-CB 4.3Å; Y153-A200 HydrophobicContact CE2-CB 4.36Å; S196-A200 WeakPolarHBondContact O-CB 3.18Å; S196-A200 PolarHBondContact O-N 2.98Å; A197-A200 PolarHBondContact O-N 3.28Å; A197-A200 VanDerWaalsContact O-N 3.15Å; L198-A200 PolarHBondContact O-N 3.48Å; A200-P202 VanDerWaalsContact C-N 3.33Å; A200-M203 WeakPolarHBondContact O-CB 3.4Å; A200-M203 PolarHBondContact O-N 2.86Å |
| 201 | V | 98.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -41.6 | -179.9 | 170.7 | 0 | 0 | 0 | 0 | 113.7 | F146 A197 L198 M203 L204 F205 | F146-V201 HydrophobicContact CE2-CG2 4.35Å; A197-V201 PolarHBondContact O-N 3.48Å; L198-V201 WeakPolarHBondContact O-CB 3.06Å; L198-V201 PolarHBondContact O-N 3.08Å; V201-M203 PolarHBondContact O-N 2.96Å; V201-L204 WeakPolarHBondContact O-CB 3.08Å; V201-L204 PolarHBondContact O-N 3.42Å; V201-F205 HydrophobicContact CG1-CD2 4.32Å; V201-F205 HydrophobicContact CG1-CE2 3.72Å |
| 202 | P | 97.7 | Very high | 96.8 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 34% | 0.338 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.1 | -29.9 | 177.6 | -28.3 | 36.9 | 0 | 0 | 0 | 114 | L199 A200 L204 F205 T206 V236 | L199-P202 WeakPolarHBondContact O-CD 3.33Å; A200-P202 VanDerWaalsContact C-N 3.33Å; P202-L204 VanDerWaalsContact C-N 3.25Å; P202-L204 PolarHBondContact O-N 3.13Å; P202-F205 PolarHBondContact O-N 2.88Å; P202-T206 WeakPolarHBondContact O-CG2 3.35Å; P202-T206 PolarHBondContact O-N 3.46Å; P202-T206 PolarHBondContact O-OG1 3.33Å; P202-V236 HydrophobicContact CB-CG1 4.07Å; P202-V236 HydrophobicContact CB-CG2 4.25Å |
| 203 | M | 96.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -26.5 | 179.3 | -63.3 | -61.5 | 156.1 | 0 | 0 | 113.4 | D149 A200 V201 F205 T206 M207 V236 N240 | D149-M203 HydrophobicContact CB-CG 4.15Å; D149-M203 WeakPolarHBondContact OD2-CE 3.31Å; D149-M203 VanDerWaalsContact OD2-CG 3.28Å; D149-M203 WeakPolarHBondContact OD2-CG 3.29Å; A200-M203 WeakPolarHBondContact O-CB 3.4Å; A200-M203 PolarHBondContact O-N 2.86Å; V201-M203 PolarHBondContact O-N 2.96Å; M203-F205 PolarHBondContact O-N 3.31Å; M203-T206 WeakPolarHBondContact CA-OG1 3.38Å; M203-M207 WeakPolarHBondContact O-CB 3.36Å; M203-M207 PolarHBondContact O-N 2.72Å; M203-V236 HydrophobicContact CE-CG1 3.31Å; M203-V236 HydrophobicContact SD-CG1 4.22Å; M203-N240 HydrophobicContact CE-CB 4.31Å |
| 204 | L | 97.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 52 Ų | 52 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -26.6 | 174 | -67.1 | 170.5 | 0 | 0 | 0 | 112.2 | R142 F146 V201 P202 | R142-L204 HydrophobicContact CB-CD2 4.12Å; R142-L204 WeakPolarHBondContact CD-O 3.38Å; R142-L204 PolarHBondContact NH1-O 2.85Å; F146-L204 HydrophobicContact CB-CD2 3.52Å; F146-L204 HydrophobicContact CB-CG 3.87Å; F146-L204 HydrophobicContact CD2-CD1 3.86Å; F146-L204 HydrophobicContact CD2-CD2 4.25Å; F146-L204 HydrophobicContact CD2-CG 3.83Å; F146-L204 HydrophobicContact CE2-CD1 4.26Å; F146-L204 HydrophobicContact CG-CD1 4.27Å; F146-L204 HydrophobicContact CG-CD2 3.89Å; F146-L204 HydrophobicContact CG-CG 3.99Å; V201-L204 WeakPolarHBondContact O-CB 3.08Å; V201-L204 PolarHBondContact O-N 3.42Å; P202-L204 VanDerWaalsContact C-N 3.25Å; P202-L204 PolarHBondContact O-N 3.13Å |
| 205 | F | 96.8 | Very high | 94.8 | Very high | 137 Ų | 137 | 51.8 Ų | 51.8 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -100.3 | -30.7 | -177.6 | -59.8 | -72.9 | 0 | 0 | 0 | 112.6 | V201 P202 M203 I228 | V201-F205 HydrophobicContact CG1-CD2 4.32Å; V201-F205 HydrophobicContact CG1-CE2 3.72Å; P202-F205 PolarHBondContact O-N 2.88Å; M203-F205 PolarHBondContact O-N 3.31Å; F205-I228 VanDerWaalsContact O-CG1 3.31Å; F205-I228 WeakPolarHBondContact O-CG1 3.33Å |
| 206 | T | 96.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.6 | -35 | -178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | P202 M203 P226 T227 V236 | P202-T206 WeakPolarHBondContact O-CG2 3.35Å; P202-T206 PolarHBondContact O-N 3.46Å; P202-T206 PolarHBondContact O-OG1 3.33Å; M203-T206 WeakPolarHBondContact CA-OG1 3.38Å; T206-P226 CarbonylContact O-C 3.5Å; T206-P226 WeakPolarHBondContact O-CA 3.35Å; T206-T227 PolarHBondContact O-N 2.92Å; T206-V236 HydrophobicContact CG2-CB 4.18Å; T206-V236 HydrophobicContact CG2-CG1 4.07Å; T206-V236 HydrophobicContact CG2-CG2 3.83Å |
| 207 | M | 97.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 152.1 | -179.8 | -64 | -67.8 | -167.2 | 0 | 0 | 110.9 | R142 Y145 M203 P226 | R142-M207 WeakPolarHBondContact CG-O 3.4Å; R142-M207 PolarHBondContact NH1-O 2.99Å; Y145-M207 HydrophobicContact CD1-CE 3.84Å; Y145-M207 HydrophobicContact CD1-CG 4.29Å; Y145-M207 HydrophobicContact CD2-CB 3.77Å; Y145-M207 HydrophobicContact CD2-CE 4.25Å; Y145-M207 HydrophobicContact CD2-CG 3.54Å; Y145-M207 HydrophobicContact CD2-SD 3.95Å; Y145-M207 HydrophobicContact CE1-CE 3.65Å; Y145-M207 HydrophobicContact CE2-CB 4.44Å; Y145-M207 HydrophobicContact CE2-CE 4.04Å; Y145-M207 HydrophobicContact CE2-CG 4.07Å; Y145-M207 HydrophobicContact CE2-SD 3.83Å; Y145-M207 HydrophobicContact CG-CB 4.23Å; Y145-M207 HydrophobicContact CG-CE 4.14Å; Y145-M207 HydrophobicContact CG-CG 3.65Å; Y145-M207 HydrophobicContact CG-SD 4.32Å; M203-M207 WeakPolarHBondContact O-CB 3.36Å; M203-M207 PolarHBondContact O-N 2.72Å; M207-P226 HydrophobicContact CE-CG 4.04Å; M207-P226 HydrophobicContact SD-CB 4.31Å; M207-P226 HydrophobicContact SD-CG 3.7Å |
| 208 | G | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 173.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D138 C141 T225 | D138-G208 WeakPolarHBondContact OD1-CA 3.32Å; C141-G208 PolarHBondContact SG-O 3.13Å; C141-G208 VanDerWaalsContact SG-O 3.35Å; G208-T225 PolarHBondContact N-O 2.87Å; G208-T225 VanDerWaalsContact N-O 3.14Å; G208-T225 PolarHBondContact O-N 3.16Å |
| 209 | E | 95.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.4 | 175.2 | -178.5 | 171.8 | -145.6 | 0 | 0 | 110.5 | G137 D138 L222 V223 | G137-E209 VanDerWaalsContact C-OE2 3.31Å; G137-E209 WeakPolarHBondContact CA-OE2 3.15Å; D138-E209 HydrophobicContact CB-CB 3.78Å; D138-E209 PolarHBondContact N-OE2 3.5Å; D138-E209 PolarHBondContact OD1-N 3.36Å; E209-L222 HydrophobicContact CG-CD2 4.16Å; E209-V223 WeakPolarHBondContact CA-O 3.37Å |
| 210 | Q | 93.5 | Very high | 91.2 | Very high | 65 Ų | 65 | 61 Ų | 61 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.1 | 173.1 | -65.4 | -169 | -19.3 | 0 | 0 | 110.6 | V223 T225 T227 | Q210-V223 PolarHBondContact N-O 3.09Å; Q210-V223 PolarHBondContact O-N 3.29Å; Q210-T225 HydrophobicContact CB-CG2 3.98Å; Q210-T225 HydrophobicContact CG-CG2 4.09Å; Q210-T227 HydrophobicContact CG-CG2 3.71Å; Q210-T227 VanDerWaalsContact NE2-CA 3.29Å; Q210-T227 VanDerWaalsContact NE2-CB 3.32Å |
| 211 | N | 92.4 | Very high | 90.7 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.7 | 168.9 | -162.3 | -25.8 | 0 | 0 | 0 | 109.6 | S213 G216 H218 G221 L222 | N211-S213 WeakPolarHBondContact OD1-CB 3.34Å; N211-S213 PolarHBondContact OD1-N 3.48Å; N211-S213 PolarHBondContact OD1-OG 3.45Å; N211-G216 PolarHBondContact ND2-O 3.45Å; N211-G216 VanDerWaalsContact ND2-O 3.08Å; N211-H218 PolarHBondContact ND2-O 2.85Å; N211-H218 PolarHBondContact OD1-O 3.05Å; N211-G221 WeakPolarHBondContact CA-O 3.49Å; N211-G221 WeakPolarHBondContact OD1-CA 3.42Å; N211-G221 PolarHBondContact OD1-O 3.35Å; N211-L222 HydrophobicContact CB-CD2 4.08Å |
| 212 | R | 87.8 | Confident | 90.5 | Very high | 131 Ų | 131 | 61.1 Ų | 61.1 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | trans | -108.6 | 21.5 | 177.1 | -67.8 | -162.1 | 175.7 | 179 | -1.2 | 113.2 | L54 G221 V223 T225 | L54-R212 HydrophobicContact CD1-CB 4.44Å; L54-R212 HydrophobicContact CD2-CB 4.21Å; R212-G221 PolarHBondContact N-O 2.86Å; R212-V223 HydrophobicContact CB-CG2 4.11Å; R212-V223 HydrophobicContact CG-CG2 3.84Å; R212-T225 PolarHBondContact NH2-OG1 3.25Å | ||
| 213 | S | 87.9 | Confident | 90.3 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -68.4 | 151.2 | 169.1 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | N211 D215 G216 Q217 H218 | N211-S213 WeakPolarHBondContact OD1-CB 3.34Å; N211-S213 PolarHBondContact OD1-N 3.48Å; N211-S213 PolarHBondContact OD1-OG 3.45Å; S213-D215 PolarHBondContact O-N 2.93Å; S213-G216 PolarHBondContact O-N 2.83Å; S213-G216 WeakPolarHBondContact OG-CA 3.2Å; S213-G216 PolarHBondContact OG-N 3.34Å; S213-Q217 PolarHBondContact OG-N 2.98Å; S213-H218 PolarHBondContact OG-N 2.91Å |
| 214 | A | 81.8 | Confident | 90.3 | Very high | 102 Ų | 102 | 60 Ų | 60 | 84% | 0.843 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 215 | D | 82.7 | Confident | 90.2 | Very high | 105 Ų | 105 | 58.1 Ų | 58.1 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.6 | -179.5 | -56.6 | -27.3 | 0 | 0 | 0 | 113.2 | S213 Q217 H218 | S213-D215 PolarHBondContact O-N 2.93Å; D215-Q217 PolarHBondContact O-N 2.59Å; D215-H218 IonicContact OD2-CD2 3.63Å; D215-H218 PolarHBondContact OD2-CD2 2.61Å; D215-H218 IonicContact OD2-NE2 3.66Å; D215-H218 PolarHBondContact OD2-NE2 2.94Å |
| 216 | G | 80.8 | Confident | 90.1 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 65.2 | -5.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | N211 S213 | N211-G216 PolarHBondContact ND2-O 3.45Å; N211-G216 VanDerWaalsContact ND2-O 3.08Å; S213-G216 PolarHBondContact O-N 2.83Å; S213-G216 WeakPolarHBondContact OG-CA 3.2Å; S213-G216 PolarHBondContact OG-N 3.34Å |
| 217 | Q | 83.1 | Confident | 90 | Very high | 178 Ų | 178 | 54 Ų | 54 | 83% | 0.832 | 32% | 0.315 | S | S | * | . | trans | -119.1 | -10.2 | -174.3 | -65.8 | -178 | 5 | 0 | 0 | 113.6 | S213 D215 A219 | S213-Q217 PolarHBondContact OG-N 2.98Å; D215-Q217 PolarHBondContact O-N 2.59Å; Q217-A219 PolarHBondContact O-N 3.23Å | ||
| 218 | H | 85.1 | Confident | 89.9 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 46% | 0.463 | 33% | 0.329 | S | S | . | . | trans | -68.6 | 127.8 | -179.2 | -82.1 | -69.5 | 0 | 0 | 0 | 111.1 | N211 S213 D215 G220 G221 | N211-H218 PolarHBondContact ND2-O 2.85Å; N211-H218 PolarHBondContact OD1-O 3.05Å; S213-H218 PolarHBondContact OG-N 2.91Å; D215-H218 IonicContact OD2-CD2 3.63Å; D215-H218 PolarHBondContact OD2-CD2 2.61Å; D215-H218 IonicContact OD2-NE2 3.66Å; D215-H218 PolarHBondContact OD2-NE2 2.94Å; H218-G220 PolarHBondContact O-N 3.14Å; H218-G221 PolarHBondContact O-N 2.99Å | ||
| 219 | A | 81.4 | Confident | 89.7 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -59.3 | -29.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P133 Q217 G221 | P133-A219 WeakPolarHBondContact CB-O 3.46Å; Q217-A219 PolarHBondContact O-N 3.23Å; A219-G221 PolarHBondContact O-N 3.46Å |
| 220 | G | 85.8 | Confident | 89.6 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -68.3 | -18.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | H218 | H218-G220 PolarHBondContact O-N 3.14Š|
| 221 | G | 89 | Confident | 89.6 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -86.1 | 0.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | N211 R212 H218 A219 V223 | N211-G221 WeakPolarHBondContact CA-O 3.49Å; N211-G221 WeakPolarHBondContact OD1-CA 3.42Å; N211-G221 PolarHBondContact OD1-O 3.35Å; R212-G221 PolarHBondContact N-O 2.86Å; H218-G221 PolarHBondContact O-N 2.99Å; A219-G221 PolarHBondContact O-N 3.46Å; G221-V223 PolarHBondContact O-N 2.93Å |
| 222 | L | 93.3 | Very high | 89.8 | Confident | 53 Ų | 53 | 65 Ų | 65 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.3 | 179 | -67.4 | 170.9 | 0 | 0 | 0 | 110.2 | P133 W134 E209 N211 | P133-L222 CarbonylContact C-O 3.46Å; P133-L222 VanDerWaalsContact CA-O 3.27Å; P133-L222 WeakPolarHBondContact CA-O 3.12Å; P133-L222 HydrophobicContact CB-CB 4.27Å; W134-L222 PolarHBondContact N-O 2.53Å; E209-L222 HydrophobicContact CG-CD2 4.16Å; N211-L222 HydrophobicContact CB-CD2 4.08Å |
| 223 | V | 94.7 | Very high | 90.1 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149 | -179.5 | -66.1 | 0 | 0 | 0 | 0 | 111.2 | L54 H132 E209 Q210 R212 G221 T225 | L54-V223 HydrophobicContact CD2-CG1 4.4Å; H132-V223 HydrophobicContact CB-CG1 4.12Å; E209-V223 WeakPolarHBondContact CA-O 3.37Å; Q210-V223 PolarHBondContact N-O 3.09Å; Q210-V223 PolarHBondContact O-N 3.29Å; R212-V223 HydrophobicContact CB-CG2 4.11Å; R212-V223 HydrophobicContact CG-CG2 3.84Å; G221-V223 PolarHBondContact O-N 2.93Å; V223-T225 HydrophobicContact CG2-CG2 4.04Å |
| 224 | C | 96.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 10% | 0.101 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 102.7 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | W134 C141 Y145 | W134-C224 HydrophobicContact CB-CB 4.33Å; W134-C224 HydrophobicContact CD2-CB 3.47Å; W134-C224 VanDerWaalsContact CD2-CB 3.47Å; W134-C224 HydrophobicContact CE3-CB 3.6Å; W134-C224 HydrophobicContact CG-CB 3.79Å; W134-C224 HydrophobicContact CH2-CB 4.49Å; W134-C224 HydrophobicContact CZ2-CB 4.38Å; W134-C224 HydrophobicContact CZ3-CB 4.13Å; C141-C224 WeakPolarHBondContact CA-SG 3.29Å; C141-C224 HydrophobicContact CB-CB 3.79Å; C141-C224 WeakPolarHBondContact CB-SG 3.18Å; C141-C224 VanDerWaalsContact SG-CA 3.51Å; C141-C224 WeakPolarHBondContact SG-CB 3.23Å; C141-C224 CovalentContact SG-SG 2.02Å; C141-C224 PolarHBondContact SG-SG 3.44Å; Y145-C224 WeakPolarHBondContact CE2-SG 3.42Å |
| 225 | T | 95.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 9% | 0.092 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 161.9 | -167.5 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | G208 Q210 R212 V223 T227 | G208-T225 PolarHBondContact N-O 2.87Å; G208-T225 VanDerWaalsContact N-O 3.14Å; G208-T225 PolarHBondContact O-N 3.16Å; Q210-T225 HydrophobicContact CB-CG2 3.98Å; Q210-T225 HydrophobicContact CG-CG2 4.09Å; R212-T225 PolarHBondContact NH2-OG1 3.25Å; V223-T225 HydrophobicContact CG2-CG2 4.04Å; T225-T227 PolarHBondContact O-N 3.44Å |
| 226 | P | 95.6 | Very high | 92 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 134.4 | 171.4 | -24.7 | 34.4 | 0 | 0 | 0 | 112.2 | T206 M207 V233 F326 | T206-P226 CarbonylContact O-C 3.5Å; T206-P226 WeakPolarHBondContact O-CA 3.35Å; M207-P226 HydrophobicContact CE-CG 4.04Å; M207-P226 HydrophobicContact SD-CB 4.31Å; M207-P226 HydrophobicContact SD-CG 3.7Å; P226-V233 HydrophobicContact CB-CG1 4.26Å; P226-V233 HydrophobicContact CB-CG2 3.65Å; P226-V233 HydrophobicContact CG-CG1 4.25Å; P226-F326 HydrophobicContact CG-CE1 3.89Å; P226-F326 HydrophobicContact CG-CZ 4.17Å |
| 227 | T | 94.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | trans | -108 | -6.6 | -175.8 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | T206 Q210 T225 | T206-T227 PolarHBondContact O-N 2.92Å; Q210-T227 HydrophobicContact CG-CG2 3.71Å; Q210-T227 VanDerWaalsContact NE2-CA 3.29Å; Q210-T227 VanDerWaalsContact NE2-CB 3.32Å; T225-T227 PolarHBondContact O-N 3.44Å | ||
| 228 | I | 94.9 | Very high | 93.4 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -103.4 | 161.4 | -177.9 | -53.4 | -63.4 | 0 | 0 | 0 | 109.4 | F205 T232 | F205-I228 VanDerWaalsContact O-CG1 3.31Å; F205-I228 WeakPolarHBondContact O-CG1 3.33Å; I228-T232 HydrophobicContact CG2-CG2 3.9Å |
| 229 | H | 93.6 | Very high | 94 | Very high | 139 Ų | 139 | 48.7 Ų | 48.7 | 64% | 0.644 | 29% | 0.293 | S | S | * | . | trans | -48.5 | 139.7 | 177.9 | -167.9 | -93.3 | 0 | 0 | 0 | 113.4 | A231 T232 V233 | H229-A231 WeakPolarHBondContact ND1-CB 3.2Å; H229-A231 PolarHBondContact ND1-N 2.94Å; H229-A231 PolarHBondContact O-N 3.38Å; H229-A231 VanDerWaalsContact O-N 3.12Å; H229-T232 WeakPolarHBondContact O-CB 3.44Å; H229-T232 PolarHBondContact O-N 3.26Å; H229-V233 PolarHBondContact O-N 2.94Å; H229-V233 VanDerWaalsContact O-N 3.14Å | ||
| 230 | T | 91.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.8 | -37 | -175.6 | -48.5 | 0 | 0 | 0 | 0 | 113 | T232 V233 K234 | T230-T232 PolarHBondContact O-N 2.91Å; T230-V233 PolarHBondContact O-N 3.22Å; T230-K234 WeakPolarHBondContact O-CB 3.31Å; T230-K234 PolarHBondContact O-N 2.91Å |
| 231 | A | 94.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 45% | 0.446 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H229 K234 V235 | H229-A231 WeakPolarHBondContact ND1-CB 3.2Å; H229-A231 PolarHBondContact ND1-N 2.94Å; H229-A231 PolarHBondContact O-N 3.38Å; H229-A231 VanDerWaalsContact O-N 3.12Å; A231-K234 WeakPolarHBondContact O-CB 3.32Å; A231-K234 PolarHBondContact O-N 3.05Å; A231-V235 WeakPolarHBondContact O-CG2 3.08Å; A231-V235 PolarHBondContact O-N 3.48Å; A231-V235 VanDerWaalsContact O-N 3.08Å |
| 232 | T | 95.5 | Very high | 95.7 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.3 | -42 | 178.2 | -54 | 0 | 0 | 0 | 0 | 110.8 | I228 H229 T230 K234 V235 V236 | I228-T232 HydrophobicContact CG2-CG2 3.9Å; H229-T232 WeakPolarHBondContact O-CB 3.44Å; H229-T232 PolarHBondContact O-N 3.26Å; T230-T232 PolarHBondContact O-N 2.91Å; T232-K234 VanDerWaalsContact C-N 3.28Å; T232-K234 PolarHBondContact O-N 2.9Å; T232-V235 PolarHBondContact O-N 2.81Å; T232-V236 HydrophobicContact CG2-CG2 4.44Å; T232-V236 WeakPolarHBondContact O-CB 3.34Å; T232-V236 WeakPolarHBondContact O-CG2 3.42Å; T232-V236 PolarHBondContact O-N 3.44Å |
| 233 | V | 95.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 50 Ų | 50 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58 | -43.6 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | P226 H229 T230 V236 I237 | P226-V233 HydrophobicContact CB-CG1 4.26Å; P226-V233 HydrophobicContact CB-CG2 3.65Å; P226-V233 HydrophobicContact CG-CG1 4.25Å; H229-V233 PolarHBondContact O-N 2.94Å; H229-V233 VanDerWaalsContact O-N 3.14Å; T230-V233 PolarHBondContact O-N 3.22Å; V233-V236 PolarHBondContact O-N 3.48Å; V233-I237 HydrophobicContact CG1-CD1 3.73Å; V233-I237 HydrophobicContact CG1-CG1 4.37Å; V233-I237 WeakPolarHBondContact O-CB 3.45Å; V233-I237 WeakPolarHBondContact O-CG1 3.19Å; V233-I237 PolarHBondContact O-N 3.48Å |
| 234 | K | 96.2 | Very high | 96 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 175.8 | -174.8 | 175.9 | -175.2 | 171.7 | 0 | 112.1 | T230 A231 T232 V236 I237 Q238 C327 Y328 | T230-K234 WeakPolarHBondContact O-CB 3.31Å; T230-K234 PolarHBondContact O-N 2.91Å; A231-K234 WeakPolarHBondContact O-CB 3.32Å; A231-K234 PolarHBondContact O-N 3.05Å; T232-K234 VanDerWaalsContact C-N 3.28Å; T232-K234 PolarHBondContact O-N 2.9Å; K234-V236 PolarHBondContact O-N 2.88Å; K234-I237 PolarHBondContact O-N 3.46Å; K234-Q238 WeakPolarHBondContact O-CB 3.49Å; K234-Q238 WeakPolarHBondContact O-CG 3.48Å; K234-Q238 PolarHBondContact O-N 3.48Å; K234-C327 HydrophobicContact CB-CB 4.3Å; K234-Y328 VanDerWaalsContact CE-CZ 3.45Å; K234-Y328 HydrophobicContact CG-CE2 4.36Å |
| 235 | V | 97.2 | Very high | 96 | Very high | 80 Ų | 80 | 49 Ų | 49 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | A231 T232 I237 Q238 V239 | A231-V235 WeakPolarHBondContact O-CG2 3.08Å; A231-V235 PolarHBondContact O-N 3.48Å; A231-V235 VanDerWaalsContact O-N 3.08Å; T232-V235 PolarHBondContact O-N 2.81Å; V235-I237 PolarHBondContact O-N 3.34Å; V235-Q238 PolarHBondContact O-N 2.95Å; V235-V239 HydrophobicContact CG1-CG2 4.48Å; V235-V239 WeakPolarHBondContact O-CG2 3.48Å; V235-V239 PolarHBondContact O-N 2.85Å |
| 236 | V | 97.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | -179.3 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | P202 M203 T206 T232 V233 K234 N240 | P202-V236 HydrophobicContact CB-CG1 4.07Å; P202-V236 HydrophobicContact CB-CG2 4.25Å; M203-V236 HydrophobicContact CE-CG1 3.31Å; M203-V236 HydrophobicContact SD-CG1 4.22Å; T206-V236 HydrophobicContact CG2-CB 4.18Å; T206-V236 HydrophobicContact CG2-CG1 4.07Å; T206-V236 HydrophobicContact CG2-CG2 3.83Å; T232-V236 HydrophobicContact CG2-CG2 4.44Å; T232-V236 WeakPolarHBondContact O-CB 3.34Å; T232-V236 WeakPolarHBondContact O-CG2 3.42Å; T232-V236 PolarHBondContact O-N 3.44Å; V233-V236 PolarHBondContact O-N 3.48Å; K234-V236 PolarHBondContact O-N 2.88Å; V236-N240 VanDerWaalsContact O-CB 3.3Å; V236-N240 WeakPolarHBondContact O-CB 3.27Å; V236-N240 PolarHBondContact O-N 2.93Å |
| 237 | I | 96.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 177.1 | -69.6 | 175.5 | 0 | 0 | 0 | 111.9 | V233 K234 V235 N240 T241 R323 L324 F326 C327 | V233-I237 HydrophobicContact CG1-CD1 3.73Å; V233-I237 HydrophobicContact CG1-CG1 4.37Å; V233-I237 WeakPolarHBondContact O-CB 3.45Å; V233-I237 WeakPolarHBondContact O-CG1 3.19Å; V233-I237 PolarHBondContact O-N 3.48Å; K234-I237 PolarHBondContact O-N 3.46Å; V235-I237 PolarHBondContact O-N 3.34Å; I237-N240 PolarHBondContact O-N 2.99Å; I237-T241 WeakPolarHBondContact O-CB 3.26Å; I237-T241 PolarHBondContact O-N 3.4Å; I237-T241 PolarHBondContact O-OG1 3.23Å; I237-R323 HydrophobicContact CG2-CB 3.98Å; I237-L324 HydrophobicContact CG2-CD2 4.19Å; I237-F326 HydrophobicContact CD1-CD1 4.43Å; I237-C327 HydrophobicContact CD1-CB 4Å |
| 238 | Q | 97.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 33% | 0.327 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 173.7 | -78.2 | 172.6 | -11.2 | 0 | 0 | 111.5 | K234 V235 N240 T241 F242 Y328 | K234-Q238 WeakPolarHBondContact O-CB 3.49Å; K234-Q238 WeakPolarHBondContact O-CG 3.48Å; K234-Q238 PolarHBondContact O-N 3.48Å; V235-Q238 PolarHBondContact O-N 2.95Å; Q238-N240 VanDerWaalsContact C-N 3.28Å; Q238-N240 PolarHBondContact O-N 3.47Å; Q238-T241 PolarHBondContact O-N 3.43Å; Q238-F242 WeakPolarHBondContact O-CB 3.31Å; Q238-F242 PolarHBondContact O-N 3.14Å; Q238-Y328 HydrophobicContact CG-CE2 4.32Å; Q238-Y328 PolarHBondContact NE2-OH 2.96Å |
| 239 | V | 97.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 42% | 0.418 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | V235 F242 M243 | V235-V239 HydrophobicContact CG1-CG2 4.48Å; V235-V239 WeakPolarHBondContact O-CG2 3.48Å; V235-V239 PolarHBondContact O-N 2.85Å; V239-F242 PolarHBondContact O-N 2.9Å; V239-M243 HydrophobicContact CG1-CG 4.28Å; V239-M243 WeakPolarHBondContact O-CB 3.49Å; V239-M243 WeakPolarHBondContact O-CG 3.47Å; V239-M243 PolarHBondContact O-N 3.45Å |
| 240 | N | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.1 | -51.1 | 176 | -179.1 | -75.9 | 0 | 0 | 0 | 112 | D149 Y153 M203 V236 I237 Q238 F242 M243 S244 R323 | D149-N240 PolarHBondContact OD2-ND2 3.39Å; D149-N240 VanDerWaalsContact OD2-ND2 3.11Å; Y153-N240 VanDerWaalsContact CZ-ND2 3.31Å; Y153-N240 VanDerWaalsContact OH-CA 3.23Å; Y153-N240 WeakPolarHBondContact OH-CA 3.47Å; Y153-N240 WeakPolarHBondContact OH-CB 3.27Å; Y153-N240 PolarHBondContact OH-ND2 3.29Å; M203-N240 HydrophobicContact CE-CB 4.31Å; V236-N240 VanDerWaalsContact O-CB 3.3Å; V236-N240 WeakPolarHBondContact O-CB 3.27Å; V236-N240 PolarHBondContact O-N 2.93Å; I237-N240 PolarHBondContact O-N 2.99Å; Q238-N240 VanDerWaalsContact C-N 3.28Å; Q238-N240 PolarHBondContact O-N 3.47Å; N240-F242 VanDerWaalsContact C-N 3.33Å; N240-F242 PolarHBondContact O-N 3.49Å; N240-M243 PolarHBondContact O-N 2.85Å; N240-S244 VanDerWaalsContact O-CB 3.32Å; N240-S244 WeakPolarHBondContact O-CB 3.42Å; N240-S244 PolarHBondContact O-N 2.99Å; N240-S244 PolarHBondContact O-OG 3.33Å; N240-S244 PolarHBondContact OD1-OG 2.92Å; N240-R323 PolarHBondContact OD1-NH1 3.25Å |
| 241 | T | 97.8 | Very high | 97 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | I237 Q238 F245 I246 H320 L324 | I237-T241 WeakPolarHBondContact O-CB 3.26Å; I237-T241 PolarHBondContact O-N 3.4Å; I237-T241 PolarHBondContact O-OG1 3.23Å; Q238-T241 PolarHBondContact O-N 3.43Å; T241-F245 WeakPolarHBondContact O-CA 3.19Å; T241-F245 WeakPolarHBondContact O-CB 3.42Å; T241-F245 PolarHBondContact O-N 3Å; T241-I246 PolarHBondContact O-N 2.9Å; T241-I246 VanDerWaalsContact O-N 3.16Å; T241-H320 HydrophobicContact CG2-CB 3.8Å; T241-L324 HydrophobicContact CG2-CD1 4.01Å; T241-L324 HydrophobicContact CG2-CG 4.45Å |
| 242 | F | 97.6 | Very high | 97 | Very high | 113 Ų | 113 | 44.4 Ų | 44.4 | 50% | 0.496 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -63 | -50.1 | 177.1 | -177.2 | -95.2 | 0 | 0 | 0 | 111.7 | Q238 V239 N240 I246 F247 | Q238-F242 WeakPolarHBondContact O-CB 3.31Å; Q238-F242 PolarHBondContact O-N 3.14Å; V239-F242 PolarHBondContact O-N 2.9Å; N240-F242 VanDerWaalsContact C-N 3.33Å; N240-F242 PolarHBondContact O-N 3.49Å; F242-I246 HydrophobicContact CD2-CB 4.01Å; F242-I246 HydrophobicContact CD2-CG1 4.47Å; F242-I246 HydrophobicContact CD2-CG2 4.07Å; F242-I246 HydrophobicContact CE2-CB 4.48Å; F242-I246 HydrophobicContact CE2-CG2 4.12Å; F242-I246 PolarHBondContact O-N 3.45Å; F242-F247 PolarHBondContact O-N 3.32Å |
| 243 | M | 97.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 35% | 0.35 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -75.7 | -34.9 | -174 | -68.5 | -62.4 | -178.6 | 0 | 0 | 113.7 | Y153 L199 V239 N240 P248 | Y153-M243 HydrophobicContact CE1-CB 3.82Å; L199-M243 HydrophobicContact CD1-CB 4.48Å; L199-M243 HydrophobicContact CD2-CG 4.44Å; V239-M243 HydrophobicContact CG1-CG 4.28Å; V239-M243 WeakPolarHBondContact O-CB 3.49Å; V239-M243 WeakPolarHBondContact O-CG 3.47Å; V239-M243 PolarHBondContact O-N 3.45Å; N240-M243 PolarHBondContact O-N 2.85Å; M243-P248 VanDerWaalsContact O-CD 3.24Å; M243-P248 WeakPolarHBondContact O-CD 3.45Å; M243-P248 WeakPolarHBondContact O-CG 3.44Å |
| 244 | S | 95.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -91 | -22.4 | -177.9 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | A156 N240 W316 H320 | A156-S244 VanDerWaalsContact CB-O 3.24Å; A156-S244 WeakPolarHBondContact CB-O 3.31Å; N240-S244 VanDerWaalsContact O-CB 3.32Å; N240-S244 WeakPolarHBondContact O-CB 3.42Å; N240-S244 PolarHBondContact O-N 2.99Å; N240-S244 PolarHBondContact O-OG 3.33Å; N240-S244 PolarHBondContact OD1-OG 2.92Å; S244-W316 WeakPolarHBondContact O-CZ3 3.36Å; S244-H320 PolarHBondContact OG-CE1 3.49Å; S244-H320 PolarHBondContact OG-NE2 3.1Å |
| 245 | F | 97.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -122.8 | -58.7 | -177.9 | 177.6 | -111.7 | 0 | 0 | 0 | 113.7 | T241 P248 M249 F312 W316 L317 H320 | T241-F245 WeakPolarHBondContact O-CA 3.19Å; T241-F245 WeakPolarHBondContact O-CB 3.42Å; T241-F245 PolarHBondContact O-N 3Å; F245-P248 WeakPolarHBondContact O-CD 3.4Å; F245-M249 HydrophobicContact CE2-CB 4.46Å; F245-M249 HydrophobicContact CZ-CG 4.48Å; F245-M249 WeakPolarHBondContact O-CB 3.12Å; F245-M249 PolarHBondContact O-N 3.29Å; F245-F312 AromaticContact CD2-CE1 3.82Å; F245-F312 HydrophobicContact CD2-CE1 3.82Å; F245-F312 HydrophobicContact CD2-CZ 4.39Å; F245-F312 HydrophobicContact CE2-CD1 4.43Å; F245-F312 HydrophobicContact CE2-CE1 4.09Å; F245-W316 HydrophobicContact CD2-CB 3.78Å; F245-W316 HydrophobicContact CE2-CB 4.03Å; F245-L317 HydrophobicContact CE1-CB 4.39Å; F245-L317 HydrophobicContact CE1-CD1 3.61Å; F245-L317 HydrophobicContact CE2-CB 4.18Å; F245-L317 HydrophobicContact CZ-CB 3.7Å; F245-L317 HydrophobicContact CZ-CD1 3.73Å; F245-L317 HydrophobicContact CZ-CG 4.29Å; F245-H320 WeakPolarHBondContact CB-CD2 3.35Å; F245-H320 AromaticContact CG-CD2 3.77Å |
| 246 | I | 98.1 | Very high | 97 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 36% | 0.359 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -63.7 | -51.5 | -172.6 | -55.5 | -63.1 | 0 | 0 | 0 | 111.6 | T241 F242 M249 V250 | T241-I246 PolarHBondContact O-N 2.9Å; T241-I246 VanDerWaalsContact O-N 3.16Å; F242-I246 HydrophobicContact CD2-CB 4.01Å; F242-I246 HydrophobicContact CD2-CG1 4.47Å; F242-I246 HydrophobicContact CD2-CG2 4.07Å; F242-I246 HydrophobicContact CE2-CB 4.48Å; F242-I246 HydrophobicContact CE2-CG2 4.12Å; F242-I246 PolarHBondContact O-N 3.45Å; I246-M249 PolarHBondContact O-N 3.01Å; I246-V250 WeakPolarHBondContact O-CG2 3.35Å; I246-V250 PolarHBondContact O-N 3.34Å |
| 247 | F | 97.5 | Very high | 97 | Very high | 94 Ų | 94 | 42.2 Ų | 42.2 | 41% | 0.412 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60 | -51.6 | 179.1 | 166.6 | -97.4 | 0 | 0 | 0 | 112.1 | L157 F242 M249 V250 V251 | L157-F247 HydrophobicContact CD2-CD1 4.34Å; L157-F247 HydrophobicContact CD2-CE1 4.04Å; F242-F247 PolarHBondContact O-N 3.32Å; F247-M249 PolarHBondContact O-N 3.04Å; F247-V250 PolarHBondContact O-N 2.91Å; F247-V251 HydrophobicContact CD2-CG2 4.31Å; F247-V251 HydrophobicContact CE1-CG2 4.49Å; F247-V251 HydrophobicContact CE2-CG2 3.91Å; F247-V251 HydrophobicContact CZ-CG2 4.01Å; F247-V251 WeakPolarHBondContact O-CG2 3.3Å; F247-V251 PolarHBondContact O-N 2.98Å; F247-V251 VanDerWaalsContact O-N 3.1Å |
| 248 | P | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.6 | -27.8 | 39.1 | 0 | 0 | 0 | 112.9 | A156 A160 M243 F245 V250 V251 I252 F312 | A156-P248 HydrophobicContact CB-CB 4.21Å; A156-P248 HydrophobicContact CB-CG 3.85Å; A160-P248 HydrophobicContact CB-CB 4.29Å; M243-P248 VanDerWaalsContact O-CD 3.24Å; M243-P248 WeakPolarHBondContact O-CD 3.45Å; M243-P248 WeakPolarHBondContact O-CG 3.44Å; F245-P248 WeakPolarHBondContact O-CD 3.4Å; P248-V250 PolarHBondContact O-N 3.47Å; P248-V251 PolarHBondContact O-N 2.81Å; P248-I252 HydrophobicContact CB-CD1 4.14Å; P248-I252 WeakPolarHBondContact O-CB 3.22Å; P248-I252 WeakPolarHBondContact O-CD1 3.34Å; P248-I252 WeakPolarHBondContact O-CG1 3.22Å; P248-I252 PolarHBondContact O-N 2.9Å; P248-F312 HydrophobicContact CB-CE1 4.35Å; P248-F312 HydrophobicContact CB-CZ 3.86Å |
| 249 | M | 97.3 | Very high | 96.8 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 179 | -177.8 | -83.1 | -170.2 | 0 | 0 | 111.4 | F245 I246 F247 S253 F312 V313 | F245-M249 HydrophobicContact CE2-CB 4.46Å; F245-M249 HydrophobicContact CZ-CG 4.48Å; F245-M249 WeakPolarHBondContact O-CB 3.12Å; F245-M249 PolarHBondContact O-N 3.29Å; I246-M249 PolarHBondContact O-N 3.01Å; F247-M249 PolarHBondContact O-N 3.04Å; M249-S253 WeakPolarHBondContact O-CB 3.26Å; M249-S253 PolarHBondContact O-N 2.86Å; M249-S253 PolarHBondContact O-OG 3.1Å; M249-F312 HydrophobicContact CB-CD1 4.35Å; M249-F312 HydrophobicContact CB-CE1 3.97Å; M249-V313 HydrophobicContact CE-CG2 4.21Å; M249-V313 HydrophobicContact CG-CG2 4.07Å |
| 250 | V | 97.9 | Very high | 96.5 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 46% | 0.455 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.2 | -49.8 | 177.5 | 171 | 0 | 0 | 0 | 0 | 110.4 | I246 F247 P248 S253 V254 | I246-V250 WeakPolarHBondContact O-CG2 3.35Å; I246-V250 PolarHBondContact O-N 3.34Å; F247-V250 PolarHBondContact O-N 2.91Å; P248-V250 PolarHBondContact O-N 3.47Å; V250-S253 PolarHBondContact O-N 3.39Å; V250-V254 HydrophobicContact CG1-CG2 4.31Å; V250-V254 WeakPolarHBondContact O-CB 3.38Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.36Å; V250-V254 PolarHBondContact O-N 3.36Å |
| 251 | V | 97.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | -180 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | A160 V164 F247 P248 S253 L255 | A160-V251 HydrophobicContact CB-CB 4.47Å; A160-V251 HydrophobicContact CB-CG1 4.14Å; V164-V251 HydrophobicContact CG2-CG1 4.12Å; F247-V251 HydrophobicContact CD2-CG2 4.31Å; F247-V251 HydrophobicContact CE1-CG2 4.49Å; F247-V251 HydrophobicContact CE2-CG2 3.91Å; F247-V251 HydrophobicContact CZ-CG2 4.01Å; F247-V251 WeakPolarHBondContact O-CG2 3.3Å; F247-V251 PolarHBondContact O-N 2.98Å; F247-V251 VanDerWaalsContact O-N 3.1Å; P248-V251 PolarHBondContact O-N 2.81Å; V251-S253 PolarHBondContact O-N 3.31Å; V251-L255 HydrophobicContact CG1-CD1 3.64Å; V251-L255 HydrophobicContact CG1-CG 4.34Å; V251-L255 VanDerWaalsContact O-CB 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CG 3.37Å; V251-L255 PolarHBondContact O-N 2.92Å |
| 252 | I | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | -179.8 | -67.5 | 164.2 | 0 | 0 | 0 | 109.9 | V159 A160 P248 N256 V309 F312 | V159-I252 HydrophobicContact CB-CD1 4.12Å; V159-I252 HydrophobicContact CG1-CD1 3.55Å; V159-I252 HydrophobicContact CG1-CG1 4.14Å; A160-I252 HydrophobicContact CB-CG1 4.23Å; P248-I252 HydrophobicContact CB-CD1 4.14Å; P248-I252 WeakPolarHBondContact O-CB 3.22Å; P248-I252 WeakPolarHBondContact O-CD1 3.34Å; P248-I252 WeakPolarHBondContact O-CG1 3.22Å; P248-I252 PolarHBondContact O-N 2.9Å; I252-N256 VanDerWaalsContact CG2-ND2 3.32Å; I252-N256 WeakPolarHBondContact CG2-ND2 3.43Å; I252-N256 WeakPolarHBondContact O-CB 3.24Å; I252-N256 VanDerWaalsContact O-CG 3.28Å; I252-N256 PolarHBondContact O-N 2.66Å; I252-N256 PolarHBondContact O-ND2 2.97Å; I252-V309 HydrophobicContact CG2-CG2 4.08Å; I252-F312 HydrophobicContact CD1-CD1 4.18Å; I252-F312 HydrophobicContact CD1-CD2 3.94Å; I252-F312 HydrophobicContact CD1-CE1 4.22Å; I252-F312 HydrophobicContact CD1-CE2 3.99Å; I252-F312 HydrophobicContact CD1-CG 4.05Å; I252-F312 HydrophobicContact CD1-CZ 4.13Å |
| 253 | S | 96.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 42.9 Ų | 42.9 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -49.5 | -176.9 | -59.3 | 0 | 0 | 0 | 0 | 112 | M249 V250 V251 T257 | M249-S253 WeakPolarHBondContact O-CB 3.26Å; M249-S253 PolarHBondContact O-N 2.86Å; M249-S253 PolarHBondContact O-OG 3.1Å; V250-S253 PolarHBondContact O-N 3.39Å; V251-S253 PolarHBondContact O-N 3.31Å; S253-T257 WeakPolarHBondContact O-CB 3.46Å; S253-T257 PolarHBondContact O-N 3.4Å; S253-T257 PolarHBondContact O-OG1 3.22Å |
| 254 | V | 97.7 | Very high | 95.4 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 47% | 0.473 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -51.4 | -179.1 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | V250 T257 I258 | V250-V254 HydrophobicContact CG1-CG2 4.31Å; V250-V254 WeakPolarHBondContact O-CB 3.38Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.36Å; V250-V254 PolarHBondContact O-N 3.36Å; V254-T257 PolarHBondContact O-N 2.85Å; V254-I258 HydrophobicContact CG1-CD1 3.83Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.22Å; V254-I258 PolarHBondContact O-N 3.43Å |
| 255 | L | 96.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -45.6 | -176.1 | -63.8 | -178.7 | 0 | 0 | 0 | 112.1 | V164 Y167 V251 T257 I258 I259 | V164-L255 HydrophobicContact CB-CD1 4.2Å; V164-L255 HydrophobicContact CG2-CD1 3.49Å; V164-L255 VanDerWaalsContact CG2-CD1 3.49Å; Y167-L255 HydrophobicContact CD1-CD2 4.09Å; Y167-L255 HydrophobicContact CD2-CD2 4.17Å; Y167-L255 HydrophobicContact CG-CD2 3.89Å; V251-L255 HydrophobicContact CG1-CD1 3.64Å; V251-L255 HydrophobicContact CG1-CG 4.34Å; V251-L255 VanDerWaalsContact O-CB 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.25Å; V251-L255 WeakPolarHBondContact O-CG 3.37Å; V251-L255 PolarHBondContact O-N 2.92Å; L255-T257 VanDerWaalsContact C-N 3.27Å; L255-T257 PolarHBondContact O-N 3.21Å; L255-I258 PolarHBondContact O-N 2.94Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 3.35Å |
| 256 | N | 93.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -28.5 | 179.5 | -69.3 | -44.2 | 0 | 0 | 0 | 112.4 | S163 I252 A260 L305 V309 | S163-N256 PolarHBondContact OG-ND2 3.29Å; I252-N256 VanDerWaalsContact CG2-ND2 3.32Å; I252-N256 WeakPolarHBondContact CG2-ND2 3.43Å; I252-N256 WeakPolarHBondContact O-CB 3.24Å; I252-N256 VanDerWaalsContact O-CG 3.28Å; I252-N256 PolarHBondContact O-N 2.66Å; I252-N256 PolarHBondContact O-ND2 2.97Å; N256-A260 WeakPolarHBondContact O-CB 2.94Å; N256-A260 PolarHBondContact O-N 3.39Å; N256-L305 HydrophobicContact CB-CB 4.4Å; N256-L305 HydrophobicContact CB-CD2 4.47Å; N256-L305 WeakPolarHBondContact OD1-CD2 3.44Å; N256-V309 HydrophobicContact CB-CG2 3.84Å |
| 257 | T | 95.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 45 Ų | 45 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.6 | -45.3 | 171.5 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | S253 V254 L255 I259 A260 N261 | S253-T257 WeakPolarHBondContact O-CB 3.46Å; S253-T257 PolarHBondContact O-N 3.4Å; S253-T257 PolarHBondContact O-OG1 3.22Å; V254-T257 PolarHBondContact O-N 2.85Å; L255-T257 VanDerWaalsContact C-N 3.27Å; L255-T257 PolarHBondContact O-N 3.21Å; T257-I259 PolarHBondContact O-N 2.95Å; T257-A260 PolarHBondContact O-N 3.48Å; T257-N261 WeakPolarHBondContact O-CB 3.19Å; T257-N261 VanDerWaalsContact O-CG 3.28Å; T257-N261 PolarHBondContact O-N 3.46Å |
| 258 | I | 96.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 36% | 0.359 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176 | -65 | 164 | 0 | 0 | 0 | 110.7 | Y167 V254 L255 N261 K262 | Y167-I258 HydrophobicContact CD2-CG2 4.26Å; Y167-I258 HydrophobicContact CE2-CG2 3.84Å; V254-I258 HydrophobicContact CG1-CD1 3.83Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.22Å; V254-I258 PolarHBondContact O-N 3.43Å; L255-I258 PolarHBondContact O-N 2.94Å; I258-N261 PolarHBondContact O-N 2.92Å; I258-K262 WeakPolarHBondContact O-CB 2.98Å; I258-K262 PolarHBondContact O-N 2.86Å |
| 259 | I | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 177 | -62.5 | 163 | 0 | 0 | 0 | 110.1 | R166 Y167 I170 L255 T257 N261 K262 L263 L305 | R166-I259 HydrophobicContact CB-CD1 3.97Å; Y167-I259 HydrophobicContact CD2-CG1 4.38Å; I170-I259 HydrophobicContact CD1-CG2 3.55Å; I170-I259 HydrophobicContact CG2-CG2 4.41Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 3.35Å; T257-I259 PolarHBondContact O-N 2.95Å; I259-N261 VanDerWaalsContact C-N 3.31Å; I259-N261 PolarHBondContact O-N 3.01Å; I259-K262 PolarHBondContact O-N 3.48Å; I259-L263 HydrophobicContact CG2-CD1 3.84Å; I259-L263 HydrophobicContact CG2-CG 4.15Å; I259-L263 WeakPolarHBondContact O-CB 3.26Å; I259-L263 VanDerWaalsContact O-CG 3.28Å; I259-L263 WeakPolarHBondContact O-CG 3.47Å; I259-L263 PolarHBondContact O-N 3.32Å; I259-L305 HydrophobicContact CB-CD1 4.02Å; I259-L305 HydrophobicContact CG2-CD1 3.42Å; I259-L305 VanDerWaalsContact CG2-CD1 3.42Å; I259-L305 HydrophobicContact CG2-CD2 4.47Å |
| 260 | A | 92.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | N256 T257 T264 V302 | N256-A260 WeakPolarHBondContact O-CB 2.94Å; N256-A260 PolarHBondContact O-N 3.39Å; T257-A260 PolarHBondContact O-N 3.48Å; A260-T264 WeakPolarHBondContact O-CB 3.5Å; A260-T264 PolarHBondContact O-N 3.38Å; A260-T264 PolarHBondContact O-OG1 3.04Å; A260-V302 HydrophobicContact CB-CG1 4.13Å |
| 261 | N | 94.2 | Very high | 91.4 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 176.4 | -71.7 | -12.8 | 0 | 0 | 0 | 111.1 | T257 I258 I259 L263 T264 V265 | T257-N261 WeakPolarHBondContact O-CB 3.19Å; T257-N261 VanDerWaalsContact O-CG 3.28Å; T257-N261 PolarHBondContact O-N 3.46Å; I258-N261 PolarHBondContact O-N 2.92Å; I259-N261 VanDerWaalsContact C-N 3.31Å; I259-N261 PolarHBondContact O-N 3.01Å; N261-L263 PolarHBondContact O-N 2.99Å; N261-T264 WeakPolarHBondContact O-CB 3.29Å; N261-T264 PolarHBondContact O-N 3.03Å; N261-T264 VanDerWaalsContact O-N 3.16Å; N261-V265 WeakPolarHBondContact O-CG2 3.48Å; N261-V265 PolarHBondContact O-N 3.46Å |
| 262 | K | 92.2 | Very high | 90.3 | Very high | 97 Ų | 97 | 53.7 Ų | 53.7 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 176.7 | -176 | 68.8 | 175.6 | -158.3 | 0 | 111.8 | I170 I258 I259 T264 V265 M266 | I170-K262 HydrophobicContact CG2-CG 4.36Å; I258-K262 WeakPolarHBondContact O-CB 2.98Å; I258-K262 PolarHBondContact O-N 2.86Å; I259-K262 PolarHBondContact O-N 3.48Å; K262-T264 VanDerWaalsContact C-N 3.3Å; K262-T264 PolarHBondContact O-N 3.46Å; K262-V265 PolarHBondContact O-N 3.47Å; K262-M266 HydrophobicContact CG-SD 4.35Å; K262-M266 WeakPolarHBondContact O-CG 3.22Å; K262-M266 PolarHBondContact O-N 3.26Å |
| 263 | L | 89.4 | Confident | 88.9 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 177 | -69.2 | 175.5 | 0 | 0 | 0 | 111.8 | I170 I259 N261 M266 V267 L298 V302 L305 | I170-L263 HydrophobicContact CG2-CD2 4.22Å; I259-L263 HydrophobicContact CG2-CD1 3.84Å; I259-L263 HydrophobicContact CG2-CG 4.15Å; I259-L263 WeakPolarHBondContact O-CB 3.26Å; I259-L263 VanDerWaalsContact O-CG 3.28Å; I259-L263 WeakPolarHBondContact O-CG 3.47Å; I259-L263 PolarHBondContact O-N 3.32Å; N261-L263 PolarHBondContact O-N 2.99Å; L263-M266 HydrophobicContact CD2-SD 4.26Å; L263-M266 PolarHBondContact O-N 3.33Å; L263-V267 WeakPolarHBondContact O-CG2 3.35Å; L263-V267 PolarHBondContact O-N 3.43Å; L263-L298 HydrophobicContact CD2-CD2 3.67Å; L263-V302 HydrophobicContact CB-CG2 3.67Å; L263-V302 HydrophobicContact CD1-CG2 4.19Å; L263-L305 HydrophobicContact CD1-CD1 3.63Å |
| 264 | T | 89.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 176 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | A260 N261 K262 V267 R268 | A260-T264 WeakPolarHBondContact O-CB 3.5Å; A260-T264 PolarHBondContact O-N 3.38Å; A260-T264 PolarHBondContact O-OG1 3.04Å; N261-T264 WeakPolarHBondContact O-CB 3.29Å; N261-T264 PolarHBondContact O-N 3.03Å; N261-T264 VanDerWaalsContact O-N 3.16Å; K262-T264 VanDerWaalsContact C-N 3.3Å; K262-T264 PolarHBondContact O-N 3.46Å; T264-V267 WeakPolarHBondContact O-CB 3.46Å; T264-V267 PolarHBondContact O-N 3.04Å; T264-R268 WeakPolarHBondContact O-CG 3.18Å; T264-R268 PolarHBondContact O-N 3.34Å |
| 265 | V | 90.6 | Very high | 84.8 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | N261 K262 V267 R268 Q269 | N261-V265 WeakPolarHBondContact O-CG2 3.48Å; N261-V265 PolarHBondContact O-N 3.46Å; K262-V265 PolarHBondContact O-N 3.47Å; V265-V267 PolarHBondContact O-N 3.27Å; V265-R268 PolarHBondContact O-N 2.99Å; V265-R268 VanDerWaalsContact O-N 3.13Å; V265-Q269 HydrophobicContact CG1-CG 4.37Å; V265-Q269 WeakPolarHBondContact O-CG 3.29Å; V265-Q269 PolarHBondContact O-N 3.49Å |
| 266 | M | 87.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 68.3 Ų | 68.3 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 175.5 | -68.1 | 171.2 | 69.5 | 0 | 0 | 112.6 | K262 L263 A270 L298 | K262-M266 HydrophobicContact CG-SD 4.35Å; K262-M266 WeakPolarHBondContact O-CG 3.22Å; K262-M266 PolarHBondContact O-N 3.26Å; L263-M266 HydrophobicContact CD2-SD 4.26Å; L263-M266 PolarHBondContact O-N 3.33Å; M266-A270 VanDerWaalsContact O-CB 3.28Å; M266-A270 WeakPolarHBondContact O-CB 3.32Å; M266-A270 PolarHBondContact O-N 3.31Å; M266-A270 VanDerWaalsContact O-N 3.11Å; M266-L298 HydrophobicContact CB-CD1 4.36Å |
| 267 | V | 86.7 | Confident | 80.8 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.085 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68 | -44.2 | 173.7 | 163.7 | 0 | 0 | 0 | 0 | 111.7 | L263 T264 V265 A270 A271 V295 L298 R299 | L263-V267 WeakPolarHBondContact O-CG2 3.35Å; L263-V267 PolarHBondContact O-N 3.43Å; T264-V267 WeakPolarHBondContact O-CB 3.46Å; T264-V267 PolarHBondContact O-N 3.04Å; V265-V267 PolarHBondContact O-N 3.27Å; V267-A270 PolarHBondContact O-N 3.47Å; V267-A271 PolarHBondContact O-N 3.12Å; V267-A271 VanDerWaalsContact O-N 3.1Å; V267-V295 HydrophobicContact CG1-CG1 4.01Å; V267-L298 HydrophobicContact CG2-CB 3.35Å; V267-L298 HydrophobicContact CG2-CD1 3.83Å; V267-L298 HydrophobicContact CG2-CG 4.24Å; V267-R299 HydrophobicContact CG1-CG 4.3Å; V267-R299 HydrophobicContact CG2-CG 4.27Å |
| 268 | R | 86.8 | Confident | 78.7 | Confident | 163 Ų | 163 | 74.1 Ų | 74.1 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.3 | -48.3 | 178.5 | -71.2 | -179.2 | -177.8 | -179.4 | -0.4 | 111.2 | T264 V265 A270 A271 E272 | T264-R268 WeakPolarHBondContact O-CG 3.18Å; T264-R268 PolarHBondContact O-N 3.34Å; V265-R268 PolarHBondContact O-N 2.99Å; V265-R268 VanDerWaalsContact O-N 3.13Å; R268-A270 VanDerWaalsContact C-N 3.28Å; R268-A270 PolarHBondContact O-N 3.42Å; R268-A271 WeakPolarHBondContact O-CB 3.07Å; R268-A271 PolarHBondContact O-N 3.26Å; R268-E272 WeakPolarHBondContact O-CG 3.43Å; R268-E272 PolarHBondContact O-N 3.35Å |
| 269 | Q | 86.3 | Confident | 76.7 | Confident | 102 Ų | 102 | 76.9 Ų | 76.9 | 48% | 0.477 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 176.3 | -70.9 | 176 | -28 | 0 | 0 | 112.3 | V265 A271 E272 Q273 | V265-Q269 HydrophobicContact CG1-CG 4.37Å; V265-Q269 WeakPolarHBondContact O-CG 3.29Å; V265-Q269 PolarHBondContact O-N 3.49Å; Q269-A271 VanDerWaalsContact C-N 3.32Å; Q269-A271 PolarHBondContact O-N 3.38Å; Q269-E272 PolarHBondContact O-N 2.89Å; Q269-Q273 WeakPolarHBondContact O-CB 3.31Å; Q269-Q273 WeakPolarHBondContact O-CG 3.49Å; Q269-Q273 PolarHBondContact O-N 2.9Å |
| 270 | A | 80.9 | Confident | 74.5 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 7% | 0.066 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.7 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M266 V267 R268 G274 I290 V295 | M266-A270 VanDerWaalsContact O-CB 3.28Å; M266-A270 WeakPolarHBondContact O-CB 3.32Å; M266-A270 PolarHBondContact O-N 3.31Å; M266-A270 VanDerWaalsContact O-N 3.11Å; V267-A270 PolarHBondContact O-N 3.47Å; R268-A270 VanDerWaalsContact C-N 3.28Å; R268-A270 PolarHBondContact O-N 3.42Å; A270-G274 PolarHBondContact O-N 3.04Å; A270-I290 HydrophobicContact CB-CD1 3.65Å; A270-I290 HydrophobicContact CB-CG2 4.23Å; A270-V295 HydrophobicContact CB-CG2 3.95Å |
| 271 | A | 78.2 | Confident | 72.6 | Confident | 52 Ų | 52 | 83.2 Ų | 83.2 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.9 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V267 R268 Q269 G274 Q275 | V267-A271 PolarHBondContact O-N 3.12Å; V267-A271 VanDerWaalsContact O-N 3.1Å; R268-A271 WeakPolarHBondContact O-CB 3.07Å; R268-A271 PolarHBondContact O-N 3.26Å; Q269-A271 VanDerWaalsContact C-N 3.32Å; Q269-A271 PolarHBondContact O-N 3.38Å; A271-G274 PolarHBondContact O-N 3.38Å; A271-Q275 PolarHBondContact O-N 2.99Å |
| 272 | E | 74.8 | Confident | 70.5 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 178.8 | -70.9 | 166.7 | -171.1 | 0 | 0 | 112 | R268 Q269 G274 Q275 V276 | R268-E272 WeakPolarHBondContact O-CG 3.43Å; R268-E272 PolarHBondContact O-N 3.35Å; Q269-E272 PolarHBondContact O-N 2.89Å; E272-G274 VanDerWaalsContact C-N 3.28Å; E272-G274 PolarHBondContact O-N 2.8Å; E272-Q275 PolarHBondContact O-N 3.49Å; E272-V276 WeakPolarHBondContact O-CG2 3.21Å; E272-V276 PolarHBondContact O-N 3.46Å; E272-V276 VanDerWaalsContact O-N 3.13Å |
| 273 | Q | 66.1 | Low | 68.2 | Low | 122 Ų | 122 | 91 Ų | 91 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.3 | -31.6 | 176.5 | -74.4 | 177.5 | -16.7 | 0 | 0 | 113.2 | Q269 Q275 C277 | Q269-Q273 WeakPolarHBondContact O-CB 3.31Å; Q269-Q273 WeakPolarHBondContact O-CG 3.49Å; Q269-Q273 PolarHBondContact O-N 2.9Å; Q273-Q275 VanDerWaalsContact C-N 3.29Å; Q273-C277 PolarHBondContact O-SG 3.26Å; Q273-C277 VanDerWaalsContact O-SG 3.32Å |
| 274 | G | 58.5 | Low | 65.7 | Low | 50 Ų | 50 | 95.8 Ų | 95.8 | 52% | 0.515 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.2 | -23.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A270 A271 E272 | A270-G274 PolarHBondContact O-N 3.04Å; A271-G274 PolarHBondContact O-N 3.38Å; E272-G274 VanDerWaalsContact C-N 3.28Å; E272-G274 PolarHBondContact O-N 2.8Å |
| 275 | Q | 51 | Low | 63.4 | Low | 143 Ų | 143 | 100.9 Ų | 100.9 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -95.3 | -26.9 | -174.3 | -156.7 | 163.1 | -5.8 | 0 | 0 | 112.9 | A271 E272 Q273 C277 T278 | A271-Q275 PolarHBondContact O-N 2.99Å; E272-Q275 PolarHBondContact O-N 3.49Å; Q273-Q275 VanDerWaalsContact C-N 3.29Å; Q275-C277 VanDerWaalsContact C-N 3.33Å; Q275-T278 PolarHBondContact O-OG1 3.43Å |
| 276 | V | 53.8 | Low | 61.2 | Low | 116 Ų | 116 | 107.1 Ų | 107.1 | 70% | 0.703 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.6 | -27.6 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | E272 T278 | E272-V276 WeakPolarHBondContact O-CG2 3.21Å; E272-V276 PolarHBondContact O-N 3.46Å; E272-V276 VanDerWaalsContact O-N 3.13Å; V276-T278 VanDerWaalsContact C-N 3.29Å; V276-T278 PolarHBondContact O-N 2.67Å |
| 277 | C | 51.3 | Low | 58.9 | Low | 87 Ų | 87 | 108.1 Ų | 108.1 | 59% | 0.588 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -6 | -179 | -62.9 | 0 | 0 | 0 | 0 | 114.5 | Q273 Q275 | Q273-C277 PolarHBondContact O-SG 3.26Å; Q273-C277 VanDerWaalsContact O-SG 3.32Å; Q275-C277 VanDerWaalsContact C-N 3.33Å |
| 278 | T | 52.2 | Low | 56.9 | Low | 114 Ų | 114 | 115 Ų | 115 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 0.4 | -179.5 | 39 | 0 | 0 | 0 | 0 | 114.5 | Q275 V276 | Q275-T278 PolarHBondContact O-OG1 3.43Å; V276-T278 VanDerWaalsContact C-N 3.29Å; V276-T278 PolarHBondContact O-N 2.67Å |
| 279 | V | 53.6 | Low | 55.1 | Low | 128 Ų | 128 | 111.6 Ų | 111.6 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -109 | -6.9 | -169.9 | -176.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 280 | G | 47 | Very low | 53.7 | Low | 63 Ų | 63 | 108.4 Ų | 108.4 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | trans | -127.6 | 113.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 281 | G | 52.5 | Low | 52.9 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -61.8 | 143.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 282 | E | 50 | Low | 52.4 | Low | 179 Ų | 179 | 118 Ų | 118 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 74.7 | 125 | 165.4 | -65.6 | -172.1 | 152.1 | 0 | 0 | 120.3 | ||
| 283 | H | 43.8 | Very low | 52.3 | Low | 174 Ų | 174 | 114.5 Ų | 114.5 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | trans | 64.5 | 97.9 | 161.5 | -70.2 | -77.1 | 0 | 0 | 0 | 120.9 | ||||
| 284 | S | 36.8 | Very low | 52.7 | Low | 117 Ų | 117 | 114.3 Ų | 114.3 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | 169.7 | 110 | 109.4 | -73.7 | 0 | 0 | 0 | 0 | 110.8 | F286 | S284-F286 PolarHBondContact O-N 3.27Š| |||
| 285 | T | 42.8 | Very low | 53.7 | Low | 149 Ų | 149 | 113.1 Ų | 113.1 | 91% | 0.914 | 67% | 0.666 | S | S | * | * | trans | -74.2 | 84.1 | 179.8 | 41.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 286 | F | 43.3 | Very low | 55.1 | Low | 202 Ų | 202 | 111.4 Ų | 111.4 | 89% | 0.886 | 66% | 0.658 | S | S | * | * | trans | -159.2 | 77.1 | 144.1 | -153.8 | -98.1 | 0 | 0 | 0 | 110 | S284 | S284-F286 PolarHBondContact O-N 3.27Š| ||
| 287 | S | 40.3 | Very low | 56.4 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | trans | -134 | 117.8 | 173.1 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | A289 | S287-A289 VanDerWaalsContact C-N 3.31Å; S287-A289 PolarHBondContact O-N 2.94Å | ||
| 288 | M | 45.3 | Very low | 57.9 | Low | 157 Ų | 157 | 106 Ų | 106 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | trans | -64.7 | 91.9 | 173.6 | -76.7 | -172.3 | -59.6 | 0 | 0 | 108.5 | I290 | M288-I290 PolarHBondContact O-N 3.42Š| ||
| 289 | A | 49.2 | Very low | 59.4 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | trans | -53.2 | 114.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | S287 E291 | S287-A289 VanDerWaalsContact C-N 3.31Å; S287-A289 PolarHBondContact O-N 2.94Å; A289-E291 PolarHBondContact O-N 3.05Å | ||
| 290 | I | 55.3 | Low | 60.9 | Low | 34 Ų | 34 | 103.7 Ų | 103.7 | 17% | 0.174 | 60% | 0.595 | C | S | . | * | trans | -69.9 | 108 | -179.2 | -66.8 | 162.6 | 0 | 0 | 0 | 106.9 | A270 M288 R294 V295 | A270-I290 HydrophobicContact CB-CD1 3.65Å; A270-I290 HydrophobicContact CB-CG2 4.23Å; M288-I290 PolarHBondContact O-N 3.42Å; I290-R294 VanDerWaalsContact CG1-NH2 3.25Å; I290-R294 HydrophobicContact CG2-CB 3.83Å; I290-R294 HydrophobicContact CG2-CG 4.31Å; I290-V295 HydrophobicContact CG2-CG2 4.21Å | ||
| 291 | E | 64.4 | Low | 62.7 | Low | 151 Ų | 151 | 101.7 Ų | 101.7 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | trans | -50.3 | 132.1 | -179.4 | -159.2 | 174.7 | -170.4 | 0 | 0 | 110 | A289 G293 R294 | A289-E291 PolarHBondContact O-N 3.05Å; E291-G293 PolarHBondContact O-N 2.67Å; E291-R294 WeakPolarHBondContact O-CB 3Å; E291-R294 PolarHBondContact O-N 3.34Å | ||
| 292 | P | 67.5 | Low | 64.3 | Low | 112 Ų | 112 | 98.6 Ų | 98.6 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -53.8 | -25.7 | -177.9 | 17.7 | -30.5 | 0 | 0 | 0 | 112.7 | R294 V295 Q296 | P292-R294 VanDerWaalsContact C-N 3.32Å; P292-R294 PolarHBondContact O-N 3.1Å; P292-V295 PolarHBondContact O-N 3.34Å; P292-Q296 PolarHBondContact O-N 3.47Å |
| 293 | G | 72.6 | Confident | 66 | Low | 45 Ų | 45 | 97.8 Ų | 97.8 | 46% | 0.464 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -34.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E291 A297 | E291-G293 PolarHBondContact O-N 2.67Å; G293-A297 WeakPolarHBondContact O-CB 3.37Å; G293-A297 PolarHBondContact O-N 2.91Å |
| 294 | R | 76.5 | Confident | 68.1 | Low | 118 Ų | 118 | 90.2 Ų | 90.2 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -42.1 | -179.6 | -163 | 177.4 | 88.3 | 167.7 | 5.3 | 112 | I290 E291 P292 A297 L298 | I290-R294 VanDerWaalsContact CG1-NH2 3.25Å; I290-R294 HydrophobicContact CG2-CB 3.83Å; I290-R294 HydrophobicContact CG2-CG 4.31Å; E291-R294 WeakPolarHBondContact O-CB 3Å; E291-R294 PolarHBondContact O-N 3.34Å; P292-R294 VanDerWaalsContact C-N 3.32Å; P292-R294 PolarHBondContact O-N 3.1Å; R294-A297 PolarHBondContact O-N 2.75Å; R294-L298 WeakPolarHBondContact O-CG 3.39Å; R294-L298 PolarHBondContact O-N 2.75Å |
| 295 | V | 79.1 | Confident | 70.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 15% | 0.152 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | V267 A270 I290 P292 A297 L298 R299 | V267-V295 HydrophobicContact CG1-CG1 4.01Å; A270-V295 HydrophobicContact CB-CG2 3.95Å; I290-V295 HydrophobicContact CG2-CG2 4.21Å; P292-V295 PolarHBondContact O-N 3.34Å; V295-A297 PolarHBondContact O-N 2.81Å; V295-L298 PolarHBondContact O-N 2.93Å; V295-R299 WeakPolarHBondContact O-CG 3.48Å; V295-R299 PolarHBondContact O-N 3.01Å |
| 296 | Q | 80.4 | Confident | 72.8 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.2 | -173.9 | 64.3 | 3.2 | 0 | 0 | 112 | P292 L298 R299 H300 | P292-Q296 PolarHBondContact O-N 3.47Å; Q296-L298 PolarHBondContact O-N 3.15Å; Q296-R299 PolarHBondContact O-N 3.32Å; Q296-H300 WeakPolarHBondContact O-CB 3.48Å; Q296-H300 PolarHBondContact O-N 3.43Å |
| 297 | A | 81.1 | Confident | 75 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 51% | 0.512 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G293 R294 V295 H300 G301 | G293-A297 WeakPolarHBondContact O-CB 3.37Å; G293-A297 PolarHBondContact O-N 2.91Å; R294-A297 PolarHBondContact O-N 2.75Å; V295-A297 PolarHBondContact O-N 2.81Å; A297-H300 PolarHBondContact O-N 3.15Å; A297-G301 PolarHBondContact O-N 3.47Å |
| 298 | L | 83 | Confident | 77.4 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | 176.6 | -68.7 | 169.5 | 0 | 0 | 0 | 112 | L263 M266 V267 R294 V295 Q296 H300 G301 V302 | L263-L298 HydrophobicContact CD2-CD2 3.67Å; M266-L298 HydrophobicContact CB-CD1 4.36Å; V267-L298 HydrophobicContact CG2-CB 3.35Å; V267-L298 HydrophobicContact CG2-CD1 3.83Å; V267-L298 HydrophobicContact CG2-CG 4.24Å; R294-L298 WeakPolarHBondContact O-CG 3.39Å; R294-L298 PolarHBondContact O-N 2.75Å; V295-L298 PolarHBondContact O-N 2.93Å; Q296-L298 PolarHBondContact O-N 3.15Å; L298-H300 VanDerWaalsContact C-N 3.32Å; L298-H300 PolarHBondContact O-N 3.47Å; L298-G301 PolarHBondContact O-N 3Å; L298-G301 VanDerWaalsContact O-N 3.14Å; L298-V302 PolarHBondContact O-N 3.22Å |
| 299 | R | 83.3 | Confident | 79.7 | Confident | 131 Ų | 131 | 68.5 Ų | 68.5 | 49% | 0.494 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 175.9 | -72.5 | 179.7 | -178.2 | -172 | 0.5 | 111.8 | V267 V295 Q296 G301 V302 R303 | V267-R299 HydrophobicContact CG1-CG 4.3Å; V267-R299 HydrophobicContact CG2-CG 4.27Å; V295-R299 WeakPolarHBondContact O-CG 3.48Å; V295-R299 PolarHBondContact O-N 3.01Å; Q296-R299 PolarHBondContact O-N 3.32Å; R299-G301 VanDerWaalsContact C-N 3.33Å; R299-V302 PolarHBondContact O-N 3.01Å; R299-R303 PolarHBondContact O-N 3.4Å |
| 300 | H | 84.9 | Confident | 81.9 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 30% | 0.296 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.5 | -174.4 | -87.5 | 0 | 0 | 0 | 111.2 | Q296 A297 L298 V302 R303 V304 L366 | Q296-H300 WeakPolarHBondContact O-CB 3.48Å; Q296-H300 PolarHBondContact O-N 3.43Å; A297-H300 PolarHBondContact O-N 3.15Å; L298-H300 VanDerWaalsContact C-N 3.32Å; L298-H300 PolarHBondContact O-N 3.47Å; H300-V302 PolarHBondContact O-N 3.37Å; H300-R303 PolarHBondContact O-N 2.87Å; H300-V304 WeakPolarHBondContact O-CG2 3.02Å; H300-V304 PolarHBondContact O-N 2.77Å; H300-L366 PolarHBondContact CE1-O 3.4Å |
| 301 | G | 84 | Confident | 83.7 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 21% | 0.206 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -54.9 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A297 L298 R299 R303 V304 L305 | A297-G301 PolarHBondContact O-N 3.47Å; L298-G301 PolarHBondContact O-N 3Å; L298-G301 VanDerWaalsContact O-N 3.14Å; R299-G301 VanDerWaalsContact C-N 3.33Å; G301-R303 PolarHBondContact O-N 3.02Å; G301-V304 PolarHBondContact O-N 2.93Å; G301-L305 VanDerWaalsContact O-CG 3.32Å; G301-L305 WeakPolarHBondContact O-CG 3.44Å; G301-L305 PolarHBondContact O-N 2.79Å |
| 302 | V | 86.6 | Confident | 85.1 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 112 | A260 L263 L298 R299 H300 V304 L305 R306 | A260-V302 HydrophobicContact CB-CG1 4.13Å; L263-V302 HydrophobicContact CB-CG2 3.67Å; L263-V302 HydrophobicContact CD1-CG2 4.19Å; L298-V302 PolarHBondContact O-N 3.22Å; R299-V302 PolarHBondContact O-N 3.01Å; H300-V302 PolarHBondContact O-N 3.37Å; V302-V304 VanDerWaalsContact C-N 3.32Å; V302-V304 PolarHBondContact O-N 3.1Å; V302-L305 PolarHBondContact O-N 3.34Å; V302-R306 PolarHBondContact O-N 3.12Å; V302-R306 VanDerWaalsContact O-N 3.13Å |
| 303 | R | 86.6 | Confident | 86.5 | Confident | 163 Ų | 163 | 58.1 Ų | 58.1 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.6 | -42.4 | 178 | -69.1 | -179.9 | -171.7 | 170.7 | 1.1 | 111.5 | R299 H300 G301 R306 A307 | R299-R303 PolarHBondContact O-N 3.4Å; H300-R303 PolarHBondContact O-N 2.87Å; G301-R303 PolarHBondContact O-N 3.02Å; R303-R306 PolarHBondContact O-N 3.23Å; R303-A307 WeakPolarHBondContact O-CB 3.24Å; R303-A307 PolarHBondContact O-N 2.86Å |
| 304 | V | 87.1 | Confident | 87.7 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | H300 G301 V302 R306 A307 V308 V367 | H300-V304 WeakPolarHBondContact O-CG2 3.02Å; H300-V304 PolarHBondContact O-N 2.77Å; G301-V304 PolarHBondContact O-N 2.93Å; V302-V304 VanDerWaalsContact C-N 3.32Å; V302-V304 PolarHBondContact O-N 3.1Å; V304-R306 VanDerWaalsContact C-N 3.26Å; V304-R306 PolarHBondContact O-N 3.48Å; V304-A307 WeakPolarHBondContact O-CB 3.19Å; V304-A307 PolarHBondContact O-N 3.44Å; V304-A307 VanDerWaalsContact O-N 3.08Å; V304-V308 HydrophobicContact CG1-CG2 4.22Å; V304-V308 WeakPolarHBondContact O-CG2 3.43Å; V304-V308 PolarHBondContact O-N 2.83Å; V304-V367 HydrophobicContact CB-CG2 3.63Å; V304-V367 HydrophobicContact CG1-CG2 3.11Å; V304-V367 HydrophobicContact CG2-CG2 3.65Å |
| 305 | L | 88.3 | Confident | 88.6 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -41.6 | 176.4 | -68.7 | 167.2 | 0 | 0 | 0 | 111.8 | N256 I259 L263 G301 V302 V308 V309 | N256-L305 HydrophobicContact CB-CB 4.4Å; N256-L305 HydrophobicContact CB-CD2 4.47Å; N256-L305 WeakPolarHBondContact OD1-CD2 3.44Å; I259-L305 HydrophobicContact CB-CD1 4.02Å; I259-L305 HydrophobicContact CG2-CD1 3.42Å; I259-L305 VanDerWaalsContact CG2-CD1 3.42Å; I259-L305 HydrophobicContact CG2-CD2 4.47Å; L263-L305 HydrophobicContact CD1-CD1 3.63Å; G301-L305 VanDerWaalsContact O-CG 3.32Å; G301-L305 WeakPolarHBondContact O-CG 3.44Å; G301-L305 PolarHBondContact O-N 2.79Å; V302-L305 PolarHBondContact O-N 3.34Å; L305-V308 PolarHBondContact O-N 3.46Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.44Å |
| 306 | R | 89.7 | Confident | 89.5 | Confident | 152 Ų | 152 | 53.3 Ų | 53.3 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.6 | -44.3 | 173.4 | -68.4 | 177.8 | -179.4 | 179.7 | -0.7 | 112 | V302 R303 V304 V308 V309 I310 | V302-R306 PolarHBondContact O-N 3.12Å; V302-R306 VanDerWaalsContact O-N 3.13Å; R303-R306 PolarHBondContact O-N 3.23Å; V304-R306 VanDerWaalsContact C-N 3.26Å; V304-R306 PolarHBondContact O-N 3.48Å; R306-V308 VanDerWaalsContact C-N 3.29Å; R306-V308 PolarHBondContact O-N 2.99Å; R306-V309 PolarHBondContact O-N 2.84Å; R306-I310 WeakPolarHBondContact O-CG1 3.33Å; R306-I310 PolarHBondContact O-N 3Å |
| 307 | A | 90 | Very high | 90.3 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R303 V304 I310 A311 L363 | R303-A307 WeakPolarHBondContact O-CB 3.24Å; R303-A307 PolarHBondContact O-N 2.86Å; V304-A307 WeakPolarHBondContact O-CB 3.19Å; V304-A307 PolarHBondContact O-N 3.44Å; V304-A307 VanDerWaalsContact O-N 3.08Å; A307-I310 PolarHBondContact O-N 3.29Å; A307-A311 WeakPolarHBondContact O-CB 3.36Å; A307-A311 PolarHBondContact O-N 3.02Å; A307-L363 HydrophobicContact CB-CD2 4.28Å |
| 308 | V | 89.9 | Confident | 91.2 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | V159 V304 L305 R306 A311 F312 L363 | V159-V308 HydrophobicContact CG1-CG1 4.5Å; V304-V308 HydrophobicContact CG1-CG2 4.22Å; V304-V308 WeakPolarHBondContact O-CG2 3.43Å; V304-V308 PolarHBondContact O-N 2.83Å; L305-V308 PolarHBondContact O-N 3.46Å; R306-V308 VanDerWaalsContact C-N 3.29Å; R306-V308 PolarHBondContact O-N 2.99Å; V308-A311 PolarHBondContact O-N 2.99Å; V308-F312 WeakPolarHBondContact O-CB 3.26Å; V308-F312 PolarHBondContact O-N 2.77Å; V308-L363 HydrophobicContact CG2-CD1 4.13Å |
| 309 | V | 93.9 | Very high | 91.9 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | I252 N256 L305 R306 F312 V313 | I252-V309 HydrophobicContact CG2-CG2 4.08Å; N256-V309 HydrophobicContact CB-CG2 3.84Å; L305-V309 WeakPolarHBondContact O-CG2 3.32Å; L305-V309 PolarHBondContact O-N 3.44Å; R306-V309 PolarHBondContact O-N 2.84Å; V309-F312 PolarHBondContact O-N 3.24Å; V309-V313 WeakPolarHBondContact O-CG2 3.37Å; V309-V313 PolarHBondContact O-N 3.32Å; V309-V313 VanDerWaalsContact O-N 3.1Å |
| 310 | I | 94.8 | Very high | 92.6 | Very high | 107 Ų | 107 | 43 Ų | 43 | 55% | 0.549 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62 | -47.1 | -179.6 | -66.2 | 166 | 0 | 0 | 0 | 110.3 | R306 A307 F312 V313 V314 | R306-I310 WeakPolarHBondContact O-CG1 3.33Å; R306-I310 PolarHBondContact O-N 3Å; A307-I310 PolarHBondContact O-N 3.29Å; I310-F312 VanDerWaalsContact C-N 3.33Å; I310-F312 PolarHBondContact O-N 3.01Å; I310-V313 PolarHBondContact O-N 3.32Å; I310-V314 HydrophobicContact CG2-CG2 4.04Å; I310-V314 WeakPolarHBondContact O-CB 3.34Å; I310-V314 VanDerWaalsContact O-CG2 3.3Å; I310-V314 WeakPolarHBondContact O-CG2 3.39Å; I310-V314 PolarHBondContact O-N 3Å |
| 311 | A | 93.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A307 V308 C315 I359 | A307-A311 WeakPolarHBondContact O-CB 3.36Å; A307-A311 PolarHBondContact O-N 3.02Å; V308-A311 PolarHBondContact O-N 2.99Å; A311-C315 WeakPolarHBondContact O-CB 3.49Å; A311-C315 PolarHBondContact O-N 3.15Å; A311-C315 PolarHBondContact O-SG 3.25Å; A311-I359 HydrophobicContact CB-CD1 4.09Å |
| 312 | F | 94.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 42.7 Ų | 42.7 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.4 | -50.5 | 177.1 | -173 | -95.7 | 0 | 0 | 0 | 111.4 | F245 P248 M249 I252 V308 V309 I310 W316 | F245-F312 AromaticContact CD2-CE1 3.82Å; F245-F312 HydrophobicContact CD2-CE1 3.82Å; F245-F312 HydrophobicContact CD2-CZ 4.39Å; F245-F312 HydrophobicContact CE2-CD1 4.43Å; F245-F312 HydrophobicContact CE2-CE1 4.09Å; P248-F312 HydrophobicContact CB-CE1 4.35Å; P248-F312 HydrophobicContact CB-CZ 3.86Å; M249-F312 HydrophobicContact CB-CD1 4.35Å; M249-F312 HydrophobicContact CB-CE1 3.97Å; I252-F312 HydrophobicContact CD1-CD1 4.18Å; I252-F312 HydrophobicContact CD1-CD2 3.94Å; I252-F312 HydrophobicContact CD1-CE1 4.22Å; I252-F312 HydrophobicContact CD1-CE2 3.99Å; I252-F312 HydrophobicContact CD1-CG 4.05Å; I252-F312 HydrophobicContact CD1-CZ 4.13Å; V308-F312 WeakPolarHBondContact O-CB 3.26Å; V308-F312 PolarHBondContact O-N 2.77Å; V309-F312 PolarHBondContact O-N 3.24Å; I310-F312 VanDerWaalsContact C-N 3.33Å; I310-F312 PolarHBondContact O-N 3.01Å; F312-W316 HydrophobicContact CD2-CD2 4.47Å; F312-W316 HydrophobicContact CD2-CG 4.49Å; F312-W316 AromaticContact CE2-CD2 3.87Å; F312-W316 HydrophobicContact CE2-CD2 3.87Å; F312-W316 HydrophobicContact CE2-CE3 4.1Å; F312-W316 HydrophobicContact CE2-CG 4.26Å; F312-W316 HydrophobicContact CE2-CZ2 4.41Å; F312-W316 HydrophobicContact CE2-CZ3 4.46Å; F312-W316 HydrophobicContact CZ-CD2 4.11Å; F312-W316 HydrophobicContact CZ-CE3 4.02Å; F312-W316 HydrophobicContact CZ-CG 4.45Å; F312-W316 VanDerWaalsContact O-CB 3.29Å; F312-W316 WeakPolarHBondContact O-CB 3.36Å; F312-W316 PolarHBondContact O-N 3.49Å |
| 313 | V | 96.5 | Very high | 94.4 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 22% | 0.218 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -50.7 | -179.2 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | M249 V309 I310 C315 W316 L317 | M249-V313 HydrophobicContact CE-CG2 4.21Å; M249-V313 HydrophobicContact CG-CG2 4.07Å; V309-V313 WeakPolarHBondContact O-CG2 3.37Å; V309-V313 PolarHBondContact O-N 3.32Å; V309-V313 VanDerWaalsContact O-N 3.1Å; I310-V313 PolarHBondContact O-N 3.32Å; V313-C315 VanDerWaalsContact C-N 3.29Å; V313-C315 PolarHBondContact O-N 3.24Å; V313-W316 PolarHBondContact O-N 2.87Å; V313-L317 HydrophobicContact CG1-CB 4.37Å; V313-L317 HydrophobicContact CG1-CD2 4.32Å; V313-L317 WeakPolarHBondContact O-CB 3.38Å; V313-L317 PolarHBondContact O-N 2.97Å |
| 314 | V | 97.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 37.4 Ų | 37.4 | 47% | 0.473 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | -177 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | I310 P318 | I310-V314 HydrophobicContact CG2-CG2 4.04Å; I310-V314 WeakPolarHBondContact O-CB 3.34Å; I310-V314 VanDerWaalsContact O-CG2 3.3Å; I310-V314 WeakPolarHBondContact O-CG2 3.39Å; I310-V314 PolarHBondContact O-N 3Å; V314-P318 VanDerWaalsContact O-CD 3.26Å; V314-P318 WeakPolarHBondContact O-CD 3.49Å |
| 315 | C | 97 | Very high | 95.3 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.034 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.4 | -32.2 | -176.6 | -63.4 | 0 | 0 | 0 | 0 | 113.3 | A311 V313 L352 | A311-C315 WeakPolarHBondContact O-CB 3.49Å; A311-C315 PolarHBondContact O-N 3.15Å; A311-C315 PolarHBondContact O-SG 3.25Å; V313-C315 VanDerWaalsContact C-N 3.29Å; V313-C315 PolarHBondContact O-N 3.24Å; C315-L352 VanDerWaalsContact CB-O 3.26Å; C315-L352 WeakPolarHBondContact CB-O 3.28Å; C315-L352 CarbonylContact O-C 3.41Å |
| 316 | W | 97.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -104.4 | -31.6 | -169.8 | -71.7 | 47.3 | 0 | 0 | 0 | 113.8 | T152 T155 A156 S244 F245 F312 V313 Y319 H320 F353 S356 | T152-W316 HydrophobicContact CG2-CE3 4.39Å; T152-W316 HydrophobicContact CG2-CH2 3.72Å; T152-W316 HydrophobicContact CG2-CZ3 3.49Å; T152-W316 VanDerWaalsContact CG2-CZ3 3.49Å; T152-W316 VanDerWaalsContact O-CH2 3.29Å; T152-W316 WeakPolarHBondContact O-CH2 3.35Å; T155-W316 HydrophobicContact CG2-CH2 4.3Å; T155-W316 HydrophobicContact CG2-CZ2 3.84Å; A156-W316 HydrophobicContact CB-CH2 3.71Å; A156-W316 HydrophobicContact CB-CZ3 3.6Å; S244-W316 WeakPolarHBondContact O-CZ3 3.36Å; F245-W316 HydrophobicContact CD2-CB 3.78Å; F245-W316 HydrophobicContact CE2-CB 4.03Å; F312-W316 HydrophobicContact CD2-CD2 4.47Å; F312-W316 HydrophobicContact CD2-CG 4.49Å; F312-W316 AromaticContact CE2-CD2 3.87Å; F312-W316 HydrophobicContact CE2-CD2 3.87Å; F312-W316 HydrophobicContact CE2-CE3 4.1Å; F312-W316 HydrophobicContact CE2-CG 4.26Å; F312-W316 HydrophobicContact CE2-CZ2 4.41Å; F312-W316 HydrophobicContact CE2-CZ3 4.46Å; F312-W316 HydrophobicContact CZ-CD2 4.11Å; F312-W316 HydrophobicContact CZ-CE3 4.02Å; F312-W316 HydrophobicContact CZ-CG 4.45Å; F312-W316 VanDerWaalsContact O-CB 3.29Å; F312-W316 WeakPolarHBondContact O-CB 3.36Å; F312-W316 PolarHBondContact O-N 3.49Å; V313-W316 PolarHBondContact O-N 2.87Å; W316-Y319 WeakPolarHBondContact O-CB 3.23Å; W316-Y319 PolarHBondContact O-N 2.92Å; W316-H320 AromaticContact CE3-NE2 3.88Å; W316-H320 PolarHBondContact O-CD2 3.38Å; W316-H320 VanDerWaalsContact O-CD2 3.28Å; W316-H320 PolarHBondContact O-N 3.21Å; W316-H320 VanDerWaalsContact O-N 3.15Å; W316-F353 HydrophobicContact CZ2-CE2 4.43Å; W316-S356 PolarHBondContact NE1-OG 2.98Å |
| 317 | L | 98 | Very high | 95.8 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 38% | 0.382 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.1 | -49.6 | -178.6 | 175.7 | 65.4 | 0 | 0 | 0 | 111.9 | F245 V313 Y319 H320 V321 | F245-L317 HydrophobicContact CE1-CB 4.39Å; F245-L317 HydrophobicContact CE1-CD1 3.61Å; F245-L317 HydrophobicContact CE2-CB 4.18Å; F245-L317 HydrophobicContact CZ-CB 3.7Å; F245-L317 HydrophobicContact CZ-CD1 3.73Å; F245-L317 HydrophobicContact CZ-CG 4.29Å; V313-L317 HydrophobicContact CG1-CB 4.37Å; V313-L317 HydrophobicContact CG1-CD2 4.32Å; V313-L317 WeakPolarHBondContact O-CB 3.38Å; V313-L317 PolarHBondContact O-N 2.97Å; L317-Y319 VanDerWaalsContact C-N 3.28Å; L317-Y319 PolarHBondContact O-N 3.44Å; L317-H320 PolarHBondContact O-N 3.18Å; L317-V321 HydrophobicContact CD1-CG2 3.81Å; L317-V321 HydrophobicContact CG-CG2 4.16Å; L317-V321 WeakPolarHBondContact O-CB 2.93Å; L317-V321 VanDerWaalsContact O-CG2 3.27Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.07Å |
| 318 | P | 98.3 | Very high | 96 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 20% | 0.195 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -36.6 | -178 | -24 | 37.8 | 0 | 0 | 0 | 112.5 | V314 V321 R322 F345 T349 L352 | V314-P318 VanDerWaalsContact O-CD 3.26Å; V314-P318 WeakPolarHBondContact O-CD 3.49Å; P318-V321 PolarHBondContact O-N 3.17Å; P318-R322 PolarHBondContact O-N 2.77Å; P318-F345 HydrophobicContact CB-CE2 4.38Å; P318-F345 HydrophobicContact CB-CZ 4.35Å; P318-T349 HydrophobicContact CB-CG2 3.68Å; P318-T349 VanDerWaalsContact O-CG2 3.32Å; P318-T349 WeakPolarHBondContact O-CG2 3.28Å; P318-L352 HydrophobicContact CB-CD1 4.25Å; P318-L352 HydrophobicContact CG-CD1 3.87Å |
| 319 | Y | 97.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.4 | 173.5 | -106.3 | 0 | 0 | 0 | 112.2 | R148 W316 L317 R322 R323 N350 F353 | R148-Y319 PolarHBondContact NE-OH 2.99Å; R148-Y319 VanDerWaalsContact NE-OH 3.15Å; W316-Y319 WeakPolarHBondContact O-CB 3.23Å; W316-Y319 PolarHBondContact O-N 2.92Å; L317-Y319 VanDerWaalsContact C-N 3.28Å; L317-Y319 PolarHBondContact O-N 3.44Å; Y319-R322 PolarHBondContact O-N 3.43Å; Y319-R323 PolarHBondContact O-N 3.16Å; Y319-R323 PolarHBondContact OH-NH1 3.41Å; Y319-N350 WeakPolarHBondContact CD2-OD1 3.41Å; Y319-N350 WeakPolarHBondContact CE2-OD1 3.38Å; Y319-F353 HydrophobicContact CD1-CD2 4.21Å; Y319-F353 HydrophobicContact CD2-CB 4.46Å; Y319-F353 HydrophobicContact CE1-CD2 4.46Å; Y319-F353 HydrophobicContact CE1-CE2 4.47Å; Y319-F353 HydrophobicContact CG-CD2 4.26Å |
| 320 | H | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.6 | -37.4 | 178 | -75.1 | -68.5 | 0 | 0 | 0 | 112.8 | T241 S244 F245 W316 L317 R322 R323 L324 | T241-H320 HydrophobicContact CG2-CB 3.8Å; S244-H320 PolarHBondContact OG-CE1 3.49Å; S244-H320 PolarHBondContact OG-NE2 3.1Å; F245-H320 WeakPolarHBondContact CB-CD2 3.35Å; F245-H320 AromaticContact CG-CD2 3.77Å; W316-H320 AromaticContact CE3-NE2 3.88Å; W316-H320 PolarHBondContact O-CD2 3.38Å; W316-H320 VanDerWaalsContact O-CD2 3.28Å; W316-H320 PolarHBondContact O-N 3.21Å; W316-H320 VanDerWaalsContact O-N 3.15Å; L317-H320 PolarHBondContact O-N 3.18Å; H320-R322 VanDerWaalsContact C-N 3.31Å; H320-R322 PolarHBondContact O-N 3.49Å; H320-R323 PolarHBondContact O-N 2.85Å; H320-L324 WeakPolarHBondContact O-CG 3.31Å; H320-L324 PolarHBondContact O-N 3.3Å |
| 321 | V | 98.3 | Very high | 95.7 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 40% | 0.4 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 174.1 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | L317 P318 R323 L324 M325 F345 | L317-V321 HydrophobicContact CD1-CG2 3.81Å; L317-V321 HydrophobicContact CG-CG2 4.16Å; L317-V321 WeakPolarHBondContact O-CB 2.93Å; L317-V321 VanDerWaalsContact O-CG2 3.27Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.07Å; P318-V321 PolarHBondContact O-N 3.17Å; V321-R323 PolarHBondContact O-N 3.47Å; V321-L324 PolarHBondContact O-N 3.43Å; V321-M325 WeakPolarHBondContact O-CB 3.26Å; V321-M325 PolarHBondContact O-N 3.25Å; V321-F345 HydrophobicContact CG1-CE1 4.37Å; V321-F345 HydrophobicContact CG1-CZ 4.37Å |
| 322 | R | 98.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.8 | -174.5 | -178.7 | 55.1 | 70.6 | -3.5 | 112.9 | P318 Y319 H320 L324 M325 F326 Y342 F345 Y346 T349 N350 | P318-R322 PolarHBondContact O-N 2.77Å; Y319-R322 PolarHBondContact O-N 3.43Å; H320-R322 VanDerWaalsContact C-N 3.31Å; H320-R322 PolarHBondContact O-N 3.49Å; R322-L324 VanDerWaalsContact C-N 3.33Å; R322-M325 WeakPolarHBondContact O-CB 3.46Å; R322-M325 PolarHBondContact O-N 2.86Å; R322-F326 PolarHBondContact O-N 2.75Å; R322-Y342 HydrophobicContact CG-CD2 4.08Å; R322-Y342 HydrophobicContact CG-CE2 3.49Å; R322-Y342 VanDerWaalsContact CG-CE2 3.49Å; R322-Y342 PolarHBondContact NH1-OH 3.19Å; R322-F345 HydrophobicContact CB-CD1 3.77Å; R322-F345 HydrophobicContact CB-CE1 3.56Å; R322-F345 HydrophobicContact CB-CZ 4.49Å; R322-F345 HydrophobicContact CG-CD1 3.83Å; R322-F345 HydrophobicContact CG-CE1 4.15Å; R322-Y346 VanDerWaalsContact CD-CA 3.42Å; R322-Y346 VanDerWaalsContact CZ-CD2 3.42Å; R322-T349 HydrophobicContact CB-CG2 4.21Å; R322-T349 WeakPolarHBondContact CD-OG1 3.24Å; R322-T349 PolarHBondContact NE-OG1 3.42Å; R322-N350 PolarHBondContact NH2-ND2 2.9Å; R322-N350 PolarHBondContact NH2-OD1 2.81Å |
| 323 | R | 96.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 6% | 0.06 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.8 | -70.2 | -179.3 | 70.8 | 164.5 | 10.6 | 111.7 | D149 I237 N240 Y319 H320 V321 F326 C327 | D149-R323 IonicContact OD1-CZ 2.77Å; D149-R323 IonicContact OD1-NH1 2.83Å; D149-R323 PolarHBondContact OD1-NH1 3.39Å; D149-R323 IonicContact OD1-NH2 3.59Å; D149-R323 IonicContact OD2-CZ 3.36Å; D149-R323 IonicContact OD2-NH1 2.67Å; D149-R323 PolarHBondContact OD2-NH1 3.15Å; D149-R323 IonicContact OD2-NH2 3.46Å; D149-R323 PolarHBondContact OD2-NH2 3.27Å; I237-R323 HydrophobicContact CG2-CB 3.98Å; N240-R323 PolarHBondContact OD1-NH1 3.25Å; Y319-R323 PolarHBondContact O-N 3.16Å; Y319-R323 PolarHBondContact OH-NH1 3.41Å; H320-R323 PolarHBondContact O-N 2.85Å; V321-R323 PolarHBondContact O-N 3.47Å; R323-F326 WeakPolarHBondContact O-CB 3.39Å; R323-F326 PolarHBondContact O-N 3.41Å; R323-C327 PolarHBondContact O-N 3.18Å |
| 324 | L | 97.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 55.6 Ų | 55.6 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 174.9 | -71.1 | 170.2 | 0 | 0 | 0 | 111.4 | I237 T241 H320 V321 R322 F326 C327 Y328 | I237-L324 HydrophobicContact CG2-CD2 4.19Å; T241-L324 HydrophobicContact CG2-CD1 4.01Å; T241-L324 HydrophobicContact CG2-CG 4.45Å; H320-L324 WeakPolarHBondContact O-CG 3.31Å; H320-L324 PolarHBondContact O-N 3.3Å; V321-L324 PolarHBondContact O-N 3.43Å; R322-L324 VanDerWaalsContact C-N 3.33Å; L324-F326 PolarHBondContact O-N 3.37Å; L324-C327 PolarHBondContact O-N 2.98Å; L324-C327 VanDerWaalsContact O-N 3.09Å; L324-C327 PolarHBondContact O-SG 2.94Å; L324-C327 VanDerWaalsContact O-SG 3.33Å; L324-Y328 HydrophobicContact CB-CD2 4.34Å; L324-Y328 HydrophobicContact CD2-CD2 4.23Å; L324-Y328 HydrophobicContact CD2-CE2 3.8Å; L324-Y328 WeakPolarHBondContact O-CB 3.42Å; L324-Y328 WeakPolarHBondContact O-CD2 3.03Å; L324-Y328 PolarHBondContact O-N 3.42Å |
| 325 | M | 96.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 14% | 0.143 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.4 | -45.9 | 174.5 | -175.8 | -173.6 | 161.8 | 0 | 0 | 110.9 | V321 R322 C327 Y328 I329 W334 L338 F341 Y342 | V321-M325 WeakPolarHBondContact O-CB 3.26Å; V321-M325 PolarHBondContact O-N 3.25Å; R322-M325 WeakPolarHBondContact O-CB 3.46Å; R322-M325 PolarHBondContact O-N 2.86Å; M325-C327 VanDerWaalsContact C-N 3.32Å; M325-C327 PolarHBondContact O-N 3.21Å; M325-Y328 PolarHBondContact O-N 3.28Å; M325-I329 HydrophobicContact CE-CD1 3.74Å; M325-I329 HydrophobicContact CG-CD1 3.39Å; M325-I329 HydrophobicContact CG-CG1 4.09Å; M325-I329 WeakPolarHBondContact O-CB 3.32Å; M325-I329 WeakPolarHBondContact O-CG1 3.26Å; M325-I329 PolarHBondContact O-N 3.33Å; M325-I329 VanDerWaalsContact O-N 3.15Å; M325-I329 HydrophobicContact SD-CD1 4.37Å; M325-W334 HydrophobicContact CE-CH2 3.94Å; M325-W334 HydrophobicContact CE-CZ3 4.06Å; M325-L338 HydrophobicContact CE-CD1 3.45Å; M325-L338 VanDerWaalsContact CE-CD1 3.45Å; M325-L338 HydrophobicContact CE-CD2 4.24Å; M325-L338 HydrophobicContact CE-CG 3.7Å; M325-F341 HydrophobicContact CE-CD1 4.23Å; M325-F341 HydrophobicContact CE-CE1 4.45Å; M325-F341 HydrophobicContact SD-CE1 4.38Å; M325-Y342 HydrophobicContact CE-CD2 4.11Å; M325-Y342 HydrophobicContact SD-CD2 4.03Å |
| 326 | F | 94.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.3 | -37.2 | 178 | 178.9 | -91.2 | 0 | 0 | 0 | 114.1 | P226 I237 R322 R323 L324 Y342 | P226-F326 HydrophobicContact CG-CE1 3.89Å; P226-F326 HydrophobicContact CG-CZ 4.17Å; I237-F326 HydrophobicContact CD1-CD1 4.43Å; R322-F326 PolarHBondContact O-N 2.75Å; R323-F326 WeakPolarHBondContact O-CB 3.39Å; R323-F326 PolarHBondContact O-N 3.41Å; L324-F326 PolarHBondContact O-N 3.37Å; F326-Y342 HydrophobicContact CB-CE2 4.02Å; F326-Y342 HydrophobicContact CD2-CE2 4.5Å |
| 327 | C | 93.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -100.4 | -8.3 | -176 | 67.5 | 0 | 0 | 0 | 0 | 115.2 | K234 I237 R323 L324 M325 | K234-C327 HydrophobicContact CB-CB 4.3Å; I237-C327 HydrophobicContact CD1-CB 4Å; R323-C327 PolarHBondContact O-N 3.18Å; L324-C327 PolarHBondContact O-N 2.98Å; L324-C327 VanDerWaalsContact O-N 3.09Å; L324-C327 PolarHBondContact O-SG 2.94Å; L324-C327 VanDerWaalsContact O-SG 3.33Å; M325-C327 VanDerWaalsContact C-N 3.32Å; M325-C327 PolarHBondContact O-N 3.21Å |
| 328 | Y | 94.8 | Very high | 94.4 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -103.2 | -28.2 | 179.7 | -88.2 | -91.7 | 0 | 0 | 0 | 113.6 | K234 Q238 L324 M325 S330 | K234-Y328 VanDerWaalsContact CE-CZ 3.45Å; K234-Y328 HydrophobicContact CG-CE2 4.36Å; Q238-Y328 HydrophobicContact CG-CE2 4.32Å; Q238-Y328 PolarHBondContact NE2-OH 2.96Å; L324-Y328 HydrophobicContact CB-CD2 4.34Å; L324-Y328 HydrophobicContact CD2-CD2 4.23Å; L324-Y328 HydrophobicContact CD2-CE2 3.8Å; L324-Y328 WeakPolarHBondContact O-CB 3.42Å; L324-Y328 WeakPolarHBondContact O-CD2 3.03Å; L324-Y328 PolarHBondContact O-N 3.42Å; M325-Y328 PolarHBondContact O-N 3.28Å; Y328-S330 PolarHBondContact O-N 3.38Å |
| 329 | I | 94 | Very high | 94.1 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 20% | 0.195 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -78.1 | 119.8 | 175.3 | -61.1 | -169.3 | 0 | 0 | 0 | 107.9 | M325 Q333 W334 L338 | M325-I329 HydrophobicContact CE-CD1 3.74Å; M325-I329 HydrophobicContact CG-CD1 3.39Å; M325-I329 HydrophobicContact CG-CG1 4.09Å; M325-I329 WeakPolarHBondContact O-CB 3.32Å; M325-I329 WeakPolarHBondContact O-CG1 3.26Å; M325-I329 PolarHBondContact O-N 3.33Å; M325-I329 VanDerWaalsContact O-N 3.15Å; M325-I329 HydrophobicContact SD-CD1 4.37Å; I329-Q333 HydrophobicContact CG2-CB 3.67Å; I329-W334 HydrophobicContact CB-CZ2 4.03Å; I329-W334 HydrophobicContact CG2-CD2 4.06Å; I329-W334 HydrophobicContact CG2-CG 4.19Å; I329-W334 HydrophobicContact CG2-CZ2 4.15Å; I329-W334 PolarHBondContact O-NE1 3.4Å; I329-L338 HydrophobicContact CD1-CD2 3.79Å; I329-L338 HydrophobicContact CG2-CD2 4Å |
| 330 | S | 90.7 | Very high | 93.8 | Very high | 52 Ų | 52 | 69.8 Ų | 69.8 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -72.9 | 156.8 | 178.9 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | Y328 E332 Q333 | Y328-S330 PolarHBondContact O-N 3.38Å; S330-E332 PolarHBondContact O-N 2.86Å; S330-E332 VanDerWaalsContact O-N 3.12Å; S330-Q333 WeakPolarHBondContact O-CB 3.26Å; S330-Q333 PolarHBondContact O-N 2.93Å; S330-Q333 WeakPolarHBondContact OG-CG 3.37Å | ||
| 331 | D | 87.8 | Confident | 93.6 | Very high | 139 Ų | 139 | 74.2 Ų | 74.2 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -53.1 | -35.6 | -179.7 | -62.8 | -20.2 | 0 | 0 | 0 | 112.5 | Q333 W334 | D331-Q333 VanDerWaalsContact C-N 3.3Å; D331-Q333 PolarHBondContact O-N 3.41Å; D331-W334 PolarHBondContact O-N 2.81Å |
| 332 | E | 90.6 | Very high | 93.5 | Very high | 187 Ų | 187 | 72.3 Ų | 72.3 | 87% | 0.874 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -67.5 | -23.1 | 176.9 | -61.3 | 177 | -177.1 | 0 | 0 | 114.6 | S330 | S330-E332 PolarHBondContact O-N 2.86Å; S330-E332 VanDerWaalsContact O-N 3.12Å |
| 333 | Q | 93.3 | Very high | 93.3 | Very high | 115 Ų | 115 | 73 Ų | 73 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -91.3 | -10.5 | -177.7 | -68.8 | 174.8 | -19.8 | 0 | 0 | 112.7 | I329 S330 D331 T335 | I329-Q333 HydrophobicContact CG2-CB 3.67Å; S330-Q333 WeakPolarHBondContact O-CB 3.26Å; S330-Q333 PolarHBondContact O-N 2.93Å; S330-Q333 WeakPolarHBondContact OG-CG 3.37Å; D331-Q333 VanDerWaalsContact C-N 3.3Å; D331-Q333 PolarHBondContact O-N 3.41Å; Q333-T335 PolarHBondContact O-N 2.99Å; Q333-T335 VanDerWaalsContact O-N 3.08Å |
| 334 | W | 93.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 75.5 Ų | 75.5 | 24% | 0.235 | 37% | 0.365 | C | S | . | . | trans | -74.2 | 100.4 | 178.3 | -75 | 99.2 | 0 | 0 | 0 | 110.8 | M325 I329 D331 L338 Y342 | M325-W334 HydrophobicContact CE-CH2 3.94Å; M325-W334 HydrophobicContact CE-CZ3 4.06Å; I329-W334 HydrophobicContact CB-CZ2 4.03Å; I329-W334 HydrophobicContact CG2-CD2 4.06Å; I329-W334 HydrophobicContact CG2-CG 4.19Å; I329-W334 HydrophobicContact CG2-CZ2 4.15Å; I329-W334 PolarHBondContact O-NE1 3.4Å; D331-W334 PolarHBondContact O-N 2.81Å; W334-L338 HydrophobicContact CD2-CD2 4.44Å; W334-L338 HydrophobicContact CE3-CB 4.39Å; W334-L338 HydrophobicContact CE3-CD2 3.98Å; W334-L338 HydrophobicContact CE3-CG 4.04Å; W334-L338 HydrophobicContact CZ3-CD2 4.24Å; W334-L338 HydrophobicContact CZ3-CG 4.02Å; W334-Y342 AromaticContact CH2-CD2 3.75Å; W334-Y342 HydrophobicContact CH2-CD2 3.75Å; W334-Y342 HydrophobicContact CH2-CE2 4.35Å; W334-Y342 HydrophobicContact CH2-CG 4.03Å; W334-Y342 HydrophobicContact CZ3-CD2 4.32Å; W334-Y342 HydrophobicContact CZ3-CG 4.2Å | ||
| 335 | T | 93.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 75.2 Ų | 75.2 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | trans | -89.1 | 156.9 | 168.6 | 62.5 | 0 | 0 | 0 | 0 | 110.4 | Q333 F337 L338 Y339 | Q333-T335 PolarHBondContact O-N 2.99Å; Q333-T335 VanDerWaalsContact O-N 3.08Å; T335-F337 PolarHBondContact O-N 2.71Å; T335-L338 PolarHBondContact O-N 3.35Å; T335-L338 WeakPolarHBondContact OG1-CB 3.47Å; T335-L338 PolarHBondContact OG1-N 2.94Å; T335-Y339 PolarHBondContact O-N 3.02Å | ||
| 336 | P | 90.4 | Very high | 93.3 | Very high | 105 Ų | 105 | 74.8 Ų | 74.8 | 68% | 0.682 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.8 | -41.7 | 175.5 | -27.6 | 35.2 | 0 | 0 | 0 | 113 | L338 Y339 D340 | P336-L338 PolarHBondContact O-N 3.42Å; P336-Y339 WeakPolarHBondContact O-CB 3.4Å; P336-Y339 PolarHBondContact O-N 2.02Å; P336-D340 PolarHBondContact O-N 3.35Å |
| 337 | F | 91.7 | Very high | 93.4 | Very high | 158 Ų | 158 | 71.1 Ų | 71.1 | 69% | 0.693 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.6 | -44.8 | 175.2 | 172.6 | -98.8 | 0 | 0 | 0 | 112.6 | T335 Y339 D340 F341 | T335-F337 PolarHBondContact O-N 2.71Å; F337-Y339 VanDerWaalsContact C-N 3.32Å; F337-D340 PolarHBondContact O-N 3.45Å; F337-F341 VanDerWaalsContact O-CB 3.3Å; F337-F341 WeakPolarHBondContact O-CB 3.1Å; F337-F341 PolarHBondContact O-N 3.39Å |
| 338 | L | 93.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 74.7 Ų | 74.7 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.6 | -35.1 | -179.5 | -170.1 | 66.6 | 0 | 0 | 0 | 111.9 | M325 I329 W334 T335 P336 F341 Y342 | M325-L338 HydrophobicContact CE-CD1 3.45Å; M325-L338 VanDerWaalsContact CE-CD1 3.45Å; M325-L338 HydrophobicContact CE-CD2 4.24Å; M325-L338 HydrophobicContact CE-CG 3.7Å; I329-L338 HydrophobicContact CD1-CD2 3.79Å; I329-L338 HydrophobicContact CG2-CD2 4Å; W334-L338 HydrophobicContact CD2-CD2 4.44Å; W334-L338 HydrophobicContact CE3-CB 4.39Å; W334-L338 HydrophobicContact CE3-CD2 3.98Å; W334-L338 HydrophobicContact CE3-CG 4.04Å; W334-L338 HydrophobicContact CZ3-CD2 4.24Å; W334-L338 HydrophobicContact CZ3-CG 4.02Å; T335-L338 PolarHBondContact O-N 3.35Å; T335-L338 WeakPolarHBondContact OG1-CB 3.47Å; T335-L338 PolarHBondContact OG1-N 2.94Å; P336-L338 PolarHBondContact O-N 3.42Å; L338-F341 HydrophobicContact CD1-CD1 4.36Å; L338-Y342 WeakPolarHBondContact O-CB 3.37Å; L338-Y342 PolarHBondContact O-N 3.11Å |
| 339 | Y | 91.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 69 Ų | 69 | 30% | 0.302 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 175.3 | -173.6 | -93.9 | 0 | 0 | 0 | 111.5 | V56 T335 P336 F337 Y342 H343 | V56-Y339 HydrophobicContact CG2-CE1 3.93Å; T335-Y339 PolarHBondContact O-N 3.02Å; P336-Y339 WeakPolarHBondContact O-CB 3.4Å; P336-Y339 PolarHBondContact O-N 2.02Å; F337-Y339 VanDerWaalsContact C-N 3.32Å; Y339-Y342 WeakPolarHBondContact O-CB 3.44Å; Y339-Y342 PolarHBondContact O-N 3.02Å; Y339-H343 AromaticContact CD1-CE1 3.83Å; Y339-H343 AromaticContact CD1-ND1 3.81Å; Y339-H343 AromaticContact CE1-CE1 3.36Å; Y339-H343 WeakPolarHBondContact CE1-CE1 3.27Å; Y339-H343 AromaticContact CE1-ND1 3.73Å; Y339-H343 AromaticContact CE2-CE1 3.64Å; Y339-H343 AromaticContact CZ-CE1 3.26Å; Y339-H343 PolarHBondContact O-N 2.6Å; Y339-H343 PolarHBondContact O-ND1 2.85Å |
| 340 | D | 91.7 | Very high | 93.9 | Very high | 45 Ų | 45 | 67.2 Ų | 67.2 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 175.2 | -69.1 | -21.8 | 0 | 0 | 0 | 111 | P336 F337 Y342 H343 Y344 | P336-D340 PolarHBondContact O-N 3.35Å; F337-D340 PolarHBondContact O-N 3.45Å; D340-Y342 VanDerWaalsContact C-N 3.29Å; D340-Y342 PolarHBondContact O-N 2.83Å; D340-H343 PolarHBondContact O-N 3Å; D340-H343 VanDerWaalsContact O-N 3.13Å; D340-Y344 VanDerWaalsContact O-CD2 3.28Å; D340-Y344 WeakPolarHBondContact O-CD2 3.02Å; D340-Y344 PolarHBondContact O-N 3.39Å |
| 341 | F | 94.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 173.6 | 170.9 | -96.1 | 0 | 0 | 0 | 111.6 | M325 F337 L338 H343 Y344 F345 | M325-F341 HydrophobicContact CE-CD1 4.23Å; M325-F341 HydrophobicContact CE-CE1 4.45Å; M325-F341 HydrophobicContact SD-CE1 4.38Å; F337-F341 VanDerWaalsContact O-CB 3.3Å; F337-F341 WeakPolarHBondContact O-CB 3.1Å; F337-F341 PolarHBondContact O-N 3.39Å; L338-F341 HydrophobicContact CD1-CD1 4.36Å; F341-H343 VanDerWaalsContact C-N 3.27Å; F341-H343 PolarHBondContact O-N 2.86Å; F341-Y344 PolarHBondContact O-N 3.42Å; F341-F345 HydrophobicContact CE1-CB 4.15Å; F341-F345 HydrophobicContact CE1-CD1 4.3Å; F341-F345 HydrophobicContact CE1-CG 4.24Å; F341-F345 HydrophobicContact CZ-CB 4.22Å; F341-F345 HydrophobicContact CZ-CD2 4.4Å; F341-F345 HydrophobicContact CZ-CG 4.19Å; F341-F345 WeakPolarHBondContact O-CB 3.34Å; F341-F345 PolarHBondContact O-N 3.21Å |
| 342 | Y | 95.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -38.6 | 178.9 | 179 | -88.8 | 0 | 0 | 0 | 112 | R322 M325 F326 W334 L338 Y339 D340 F345 Y346 | R322-Y342 HydrophobicContact CG-CD2 4.08Å; R322-Y342 HydrophobicContact CG-CE2 3.49Å; R322-Y342 VanDerWaalsContact CG-CE2 3.49Å; R322-Y342 PolarHBondContact NH1-OH 3.19Å; M325-Y342 HydrophobicContact CE-CD2 4.11Å; M325-Y342 HydrophobicContact SD-CD2 4.03Å; F326-Y342 HydrophobicContact CB-CE2 4.02Å; F326-Y342 HydrophobicContact CD2-CE2 4.5Å; W334-Y342 AromaticContact CH2-CD2 3.75Å; W334-Y342 HydrophobicContact CH2-CD2 3.75Å; W334-Y342 HydrophobicContact CH2-CE2 4.35Å; W334-Y342 HydrophobicContact CH2-CG 4.03Å; W334-Y342 HydrophobicContact CZ3-CD2 4.32Å; W334-Y342 HydrophobicContact CZ3-CG 4.2Å; L338-Y342 WeakPolarHBondContact O-CB 3.37Å; L338-Y342 PolarHBondContact O-N 3.11Å; Y339-Y342 WeakPolarHBondContact O-CB 3.44Å; Y339-Y342 PolarHBondContact O-N 3.02Å; D340-Y342 VanDerWaalsContact C-N 3.29Å; D340-Y342 PolarHBondContact O-N 2.83Å; Y342-F345 CarbonylContact O-C 3.59Å; Y342-F345 PolarHBondContact O-N 3.16Å; Y342-Y346 WeakPolarHBondContact O-CB 3.48Å; Y342-Y346 PolarHBondContact O-N 2.86Å |
| 343 | H | 94.3 | Very high | 95.1 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 12% | 0.116 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.8 | -41.2 | 178.6 | -71.7 | 85.1 | 0 | 0 | 0 | 112.6 | V56 T58 Y339 D340 F341 F345 Y346 M347 | V56-H343 HydrophobicContact CG1-CB 3.7Å; T58-H343 HydrophobicContact CG2-CB 4Å; Y339-H343 AromaticContact CD1-CE1 3.83Å; Y339-H343 AromaticContact CD1-ND1 3.81Å; Y339-H343 AromaticContact CE1-CE1 3.36Å; Y339-H343 WeakPolarHBondContact CE1-CE1 3.27Å; Y339-H343 AromaticContact CE1-ND1 3.73Å; Y339-H343 AromaticContact CE2-CE1 3.64Å; Y339-H343 AromaticContact CZ-CE1 3.26Å; Y339-H343 PolarHBondContact O-N 2.6Å; Y339-H343 PolarHBondContact O-ND1 2.85Å; D340-H343 PolarHBondContact O-N 3Å; D340-H343 VanDerWaalsContact O-N 3.13Å; F341-H343 VanDerWaalsContact C-N 3.27Å; F341-H343 PolarHBondContact O-N 2.86Å; H343-F345 VanDerWaalsContact C-N 3.32Å; H343-F345 PolarHBondContact O-N 3.28Å; H343-Y346 VanDerWaalsContact O-CB 3.31Å; H343-Y346 WeakPolarHBondContact O-CB 3.14Å; H343-Y346 PolarHBondContact O-N 3.1Å; H343-M347 WeakPolarHBondContact O-CG 3.3Å; H343-M347 PolarHBondContact O-N 3.22Å |
| 344 | Y | 95.6 | Very high | 95.3 | Very high | 70 Ų | 70 | 47 Ų | 47 | 28% | 0.275 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 170 | -76.1 | -67.8 | 0 | 0 | 0 | 111.8 | T58 D59 D340 F341 Y346 M347 V348 | T58-Y344 HydrophobicContact CG2-CE1 4.29Å; T58-Y344 HydrophobicContact CG2-CE2 4.19Å; D59-Y344 PolarHBondContact N-OH 3.47Å; D59-Y344 PolarHBondContact OD2-OH 3.34Å; D340-Y344 VanDerWaalsContact O-CD2 3.28Å; D340-Y344 WeakPolarHBondContact O-CD2 3.02Å; D340-Y344 PolarHBondContact O-N 3.39Å; F341-Y344 PolarHBondContact O-N 3.42Å; Y344-Y346 VanDerWaalsContact C-N 3.3Å; Y344-Y346 PolarHBondContact O-N 2.9Å; Y344-M347 HydrophobicContact CD1-SD 4.37Å; Y344-M347 WeakPolarHBondContact O-CB 3.07Å; Y344-M347 PolarHBondContact O-N 2.96Å; Y344-V348 PolarHBondContact O-N 2.91Å; Y344-V348 VanDerWaalsContact O-N 3.16Å |
| 345 | F | 97.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 18% | 0.18 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -35 | 175.9 | -169.4 | -132.9 | 0 | 0 | 0 | 111.4 | P318 V321 R322 F341 Y342 H343 M347 V348 T349 | P318-F345 HydrophobicContact CB-CE2 4.38Å; P318-F345 HydrophobicContact CB-CZ 4.35Å; V321-F345 HydrophobicContact CG1-CE1 4.37Å; V321-F345 HydrophobicContact CG1-CZ 4.37Å; R322-F345 HydrophobicContact CB-CD1 3.77Å; R322-F345 HydrophobicContact CB-CE1 3.56Å; R322-F345 HydrophobicContact CB-CZ 4.49Å; R322-F345 HydrophobicContact CG-CD1 3.83Å; R322-F345 HydrophobicContact CG-CE1 4.15Å; F341-F345 HydrophobicContact CE1-CB 4.15Å; F341-F345 HydrophobicContact CE1-CD1 4.3Å; F341-F345 HydrophobicContact CE1-CG 4.24Å; F341-F345 HydrophobicContact CZ-CB 4.22Å; F341-F345 HydrophobicContact CZ-CD2 4.4Å; F341-F345 HydrophobicContact CZ-CG 4.19Å; F341-F345 WeakPolarHBondContact O-CB 3.34Å; F341-F345 PolarHBondContact O-N 3.21Å; Y342-F345 CarbonylContact O-C 3.59Å; Y342-F345 PolarHBondContact O-N 3.16Å; H343-F345 VanDerWaalsContact C-N 3.32Å; H343-F345 PolarHBondContact O-N 3.28Å; F345-M347 PolarHBondContact O-N 3.36Å; F345-V348 PolarHBondContact O-N 2.95Å; F345-T349 HydrophobicContact CD1-CG2 4.02Å; F345-T349 HydrophobicContact CD2-CG2 3.56Å; F345-T349 HydrophobicContact CE1-CG2 3.83Å; F345-T349 HydrophobicContact CE2-CG2 3.33Å; F345-T349 HydrophobicContact CG-CG2 3.88Å; F345-T349 HydrophobicContact CZ-CG2 3.48Å; F345-T349 VanDerWaalsContact CZ-CG2 3.48Å; F345-T349 VanDerWaalsContact O-CB 3.26Å; F345-T349 WeakPolarHBondContact O-CB 3.17Å; F345-T349 WeakPolarHBondContact O-CG2 3.23Å; F345-T349 PolarHBondContact O-N 3.06Å; F345-T349 PolarHBondContact O-OG1 3.02Å |
| 346 | Y | 96.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 43 Ų | 43 | 8% | 0.078 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -49.7 | 170.9 | -175.6 | -81.9 | 0 | 0 | 0 | 111.5 | E123 F127 I128 R322 Y342 H343 Y344 V348 T349 N350 | E123-Y346 HydrophobicContact CG-CE1 4.24Å; F127-Y346 HydrophobicContact CB-CE1 3.63Å; F127-Y346 VanDerWaalsContact CB-OH 3.25Å; F127-Y346 WeakPolarHBondContact CB-OH 3.48Å; F127-Y346 VanDerWaalsContact CD2-OH 3.26Å; F127-Y346 WeakPolarHBondContact CD2-OH 3.44Å; F127-Y346 HydrophobicContact CG-CE1 4.45Å; F127-Y346 AromaticContact CG-CZ 3.95Å; F127-Y346 WeakPolarHBondContact CG-OH 3.35Å; I128-Y346 HydrophobicContact CD1-CD1 4.17Å; I128-Y346 HydrophobicContact CD1-CE1 4.14Å; R322-Y346 VanDerWaalsContact CD-CA 3.42Å; R322-Y346 VanDerWaalsContact CZ-CD2 3.42Å; Y342-Y346 WeakPolarHBondContact O-CB 3.48Å; Y342-Y346 PolarHBondContact O-N 2.86Å; H343-Y346 VanDerWaalsContact O-CB 3.31Å; H343-Y346 WeakPolarHBondContact O-CB 3.14Å; H343-Y346 PolarHBondContact O-N 3.1Å; Y344-Y346 VanDerWaalsContact C-N 3.3Å; Y344-Y346 PolarHBondContact O-N 2.9Å; Y346-V348 PolarHBondContact O-N 2.84Å; Y346-T349 PolarHBondContact O-N 3.08Å; Y346-T349 PolarHBondContact O-OG1 3.35Å; Y346-T349 VanDerWaalsContact O-OG1 3.07Å; Y346-N350 WeakPolarHBondContact CD1-ND2 3.36Å; Y346-N350 WeakPolarHBondContact CE1-ND2 3.42Å; Y346-N350 VanDerWaalsContact CE2-ND2 3.33Å; Y346-N350 WeakPolarHBondContact CE2-ND2 3.47Å; Y346-N350 WeakPolarHBondContact O-CB 3.28Å; Y346-N350 PolarHBondContact O-N 2.91Å; Y346-N350 PolarHBondContact O-ND2 3.03Å; Y346-N350 VanDerWaalsContact O-ND2 3.1Å |
| 347 | M | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58 | -49 | 179 | -61.7 | 177.7 | -171.4 | 0 | 0 | 112 | T58 K63 V66 Y70 I128 H343 Y344 F345 A351 | T58-M347 HydrophobicContact CG2-CE 3.73Å; K63-M347 HydrophobicContact CG-CE 4.23Å; V66-M347 HydrophobicContact CG1-CB 4.25Å; V66-M347 HydrophobicContact CG2-CB 3.82Å; V66-M347 HydrophobicContact CG2-CG 4.24Å; V66-M347 HydrophobicContact CG2-SD 3.97Å; Y70-M347 PolarHBondContact OH-O 3.22Å; I128-M347 HydrophobicContact CD1-CG 3.94Å; H343-M347 WeakPolarHBondContact O-CG 3.3Å; H343-M347 PolarHBondContact O-N 3.22Å; Y344-M347 HydrophobicContact CD1-SD 4.37Å; Y344-M347 WeakPolarHBondContact O-CB 3.07Å; Y344-M347 PolarHBondContact O-N 2.96Å; F345-M347 PolarHBondContact O-N 3.36Å; M347-A351 WeakPolarHBondContact O-CB 3.48Å; M347-A351 PolarHBondContact O-N 3.06Å |
| 348 | V | 97.4 | Very high | 95.8 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 50% | 0.503 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66 | -48.2 | -178.7 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | Y344 F345 Y346 N350 A351 L352 | Y344-V348 PolarHBondContact O-N 2.91Å; Y344-V348 VanDerWaalsContact O-N 3.16Å; F345-V348 PolarHBondContact O-N 2.95Å; Y346-V348 PolarHBondContact O-N 2.84Å; V348-N350 VanDerWaalsContact C-N 3.34Å; V348-N350 PolarHBondContact O-N 2.84Å; V348-A351 WeakPolarHBondContact O-CB 3.35Å; V348-A351 PolarHBondContact O-N 2.93Å; V348-L352 HydrophobicContact CG1-CD1 4.32Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 3.34Å |
| 349 | T | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | -176 | 55.7 | 0 | 0 | 0 | 0 | 112 | P318 R322 F345 Y346 L352 F353 | P318-T349 HydrophobicContact CB-CG2 3.68Å; P318-T349 VanDerWaalsContact O-CG2 3.32Å; P318-T349 WeakPolarHBondContact O-CG2 3.28Å; R322-T349 HydrophobicContact CB-CG2 4.21Å; R322-T349 WeakPolarHBondContact CD-OG1 3.24Å; R322-T349 PolarHBondContact NE-OG1 3.42Å; F345-T349 HydrophobicContact CD1-CG2 4.02Å; F345-T349 HydrophobicContact CD2-CG2 3.56Å; F345-T349 HydrophobicContact CE1-CG2 3.83Å; F345-T349 HydrophobicContact CE2-CG2 3.33Å; F345-T349 HydrophobicContact CG-CG2 3.88Å; F345-T349 HydrophobicContact CZ-CG2 3.48Å; F345-T349 VanDerWaalsContact CZ-CG2 3.48Å; F345-T349 VanDerWaalsContact O-CB 3.26Å; F345-T349 WeakPolarHBondContact O-CB 3.17Å; F345-T349 WeakPolarHBondContact O-CG2 3.23Å; F345-T349 PolarHBondContact O-N 3.06Å; F345-T349 PolarHBondContact O-OG1 3.02Å; Y346-T349 PolarHBondContact O-N 3.08Å; Y346-T349 PolarHBondContact O-OG1 3.35Å; Y346-T349 VanDerWaalsContact O-OG1 3.07Å; T349-L352 PolarHBondContact O-N 2.93Å; T349-F353 WeakPolarHBondContact O-CB 3.16Å; T349-F353 PolarHBondContact O-N 3.45Å |
| 350 | N | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.5 | -30.7 | 176.3 | -71.3 | -41.2 | 0 | 0 | 0 | 112.9 | Y70 E123 R148 Y319 R322 Y346 V348 L352 F353 Y354 | Y70-N350 WeakPolarHBondContact OH-CB 3.25Å; E123-N350 WeakPolarHBondContact OE1-CB 3.33Å; E123-N350 PolarHBondContact OE1-ND2 3.27Å; R148-N350 PolarHBondContact NH2-OD1 2.86Å; Y319-N350 WeakPolarHBondContact CD2-OD1 3.41Å; Y319-N350 WeakPolarHBondContact CE2-OD1 3.38Å; R322-N350 PolarHBondContact NH2-ND2 2.9Å; R322-N350 PolarHBondContact NH2-OD1 2.81Å; Y346-N350 WeakPolarHBondContact CD1-ND2 3.36Å; Y346-N350 WeakPolarHBondContact CE1-ND2 3.42Å; Y346-N350 VanDerWaalsContact CE2-ND2 3.33Å; Y346-N350 WeakPolarHBondContact CE2-ND2 3.47Å; Y346-N350 WeakPolarHBondContact O-CB 3.28Å; Y346-N350 PolarHBondContact O-N 2.91Å; Y346-N350 PolarHBondContact O-ND2 3.03Å; Y346-N350 VanDerWaalsContact O-ND2 3.1Å; V348-N350 VanDerWaalsContact C-N 3.34Å; V348-N350 PolarHBondContact O-N 2.84Å; N350-L352 VanDerWaalsContact C-N 3.31Å; N350-L352 PolarHBondContact O-N 2.85Å; N350-F353 WeakPolarHBondContact O-CB 3.34Å; N350-F353 PolarHBondContact O-N 2.8Å; N350-Y354 HydrophobicContact CB-CE2 4.38Å; N350-Y354 WeakPolarHBondContact O-CD2 3.43Å; N350-Y354 PolarHBondContact O-N 3.21Å |
| 351 | A | 97.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 26.6 Ų | 26.6 | 15% | 0.149 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.6 | -47.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y70 M347 V348 Y354 V355 | Y70-A351 HydrophobicContact CE1-CB 3.85Å; Y70-A351 PolarHBondContact OH-N 3.44Å; M347-A351 WeakPolarHBondContact O-CB 3.48Å; M347-A351 PolarHBondContact O-N 3.06Å; V348-A351 WeakPolarHBondContact O-CB 3.35Å; V348-A351 PolarHBondContact O-N 2.93Å; A351-Y354 PolarHBondContact O-N 3.13Å; A351-V355 VanDerWaalsContact O-CG2 3.3Å; A351-V355 WeakPolarHBondContact O-CG2 3.31Å; A351-V355 PolarHBondContact O-N 3.07Å |
| 352 | L | 98 | Very high | 94 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 25% | 0.246 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 176 | -70.7 | 176.9 | 0 | 0 | 0 | 112.4 | C315 P318 V348 T349 N350 Y354 V355 S356 | C315-L352 VanDerWaalsContact CB-O 3.26Å; C315-L352 WeakPolarHBondContact CB-O 3.28Å; C315-L352 CarbonylContact O-C 3.41Å; P318-L352 HydrophobicContact CB-CD1 4.25Å; P318-L352 HydrophobicContact CG-CD1 3.87Å; V348-L352 HydrophobicContact CG1-CD1 4.32Å; V348-L352 WeakPolarHBondContact O-CG 3.46Å; V348-L352 PolarHBondContact O-N 3.34Å; T349-L352 PolarHBondContact O-N 2.93Å; N350-L352 VanDerWaalsContact C-N 3.31Å; N350-L352 PolarHBondContact O-N 2.85Å; L352-Y354 PolarHBondContact O-N 3.34Å; L352-V355 WeakPolarHBondContact O-CB 3.27Å; L352-V355 PolarHBondContact O-N 2.78Å; L352-S356 PolarHBondContact O-N 3.05Å |
| 353 | F | 97.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 173.7 | 176.8 | -103.9 | 0 | 0 | 0 | 111.4 | T115 T152 W316 Y319 T349 N350 V355 S356 | T115-F353 HydrophobicContact CG2-CE1 3.68Å; T115-F353 HydrophobicContact CG2-CZ 4.09Å; T152-F353 HydrophobicContact CG2-CE2 4.1Å; T152-F353 WeakPolarHBondContact OG1-CZ 3.43Å; W316-F353 HydrophobicContact CZ2-CE2 4.43Å; Y319-F353 HydrophobicContact CD1-CD2 4.21Å; Y319-F353 HydrophobicContact CD2-CB 4.46Å; Y319-F353 HydrophobicContact CE1-CD2 4.46Å; Y319-F353 HydrophobicContact CE1-CE2 4.47Å; Y319-F353 HydrophobicContact CG-CD2 4.26Å; T349-F353 WeakPolarHBondContact O-CB 3.16Å; T349-F353 PolarHBondContact O-N 3.45Å; N350-F353 WeakPolarHBondContact O-CB 3.34Å; N350-F353 PolarHBondContact O-N 2.8Å; F353-V355 PolarHBondContact O-N 3.33Å; F353-S356 VanDerWaalsContact O-CB 3.3Å; F353-S356 WeakPolarHBondContact O-CB 3.48Å; F353-S356 PolarHBondContact O-N 3.36Å; F353-S356 VanDerWaalsContact O-N 3.14Å; F353-S356 PolarHBondContact O-OG 3.43Å |
| 354 | Y | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.1 | -32.1 | 178 | -69.4 | -54.4 | 0 | 0 | 0 | 113.4 | Y70 T115 L116 M120 E123 N350 A351 L352 S356 S357 T358 | Y70-Y354 HydrophobicContact CD2-CD2 4.36Å; Y70-Y354 HydrophobicContact CD2-CE2 4.3Å; Y70-Y354 HydrophobicContact CE1-CD2 4.38Å; Y70-Y354 AromaticContact CE2-CD2 3.98Å; Y70-Y354 HydrophobicContact CE2-CD2 3.98Å; Y70-Y354 AromaticContact CE2-CE2 3.75Å; Y70-Y354 HydrophobicContact CE2-CE2 3.75Å; T115-Y354 HydrophobicContact CG2-CD1 4.29Å; T115-Y354 HydrophobicContact CG2-CE1 4.01Å; L116-Y354 HydrophobicContact CD2-CD1 4.1Å; M120-Y354 WeakPolarHBondContact CA-OH 3.39Å; M120-Y354 HydrophobicContact CB-CE1 4.04Å; M120-Y354 HydrophobicContact CB-CE2 4.48Å; M120-Y354 HydrophobicContact CE-CD1 3.63Å; M120-Y354 HydrophobicContact CE-CD2 3.8Å; M120-Y354 HydrophobicContact CE-CE1 4.14Å; M120-Y354 HydrophobicContact CE-CE2 4.32Å; M120-Y354 HydrophobicContact CE-CG 3.45Å; M120-Y354 VanDerWaalsContact CE-CG 3.45Å; M120-Y354 HydrophobicContact CG-CE2 4.25Å; M120-Y354 PolarHBondContact N-OH 3.34Å; E123-Y354 PolarHBondContact OE2-OH 3.45Å; N350-Y354 HydrophobicContact CB-CE2 4.38Å; N350-Y354 WeakPolarHBondContact O-CD2 3.43Å; N350-Y354 PolarHBondContact O-N 3.21Å; A351-Y354 PolarHBondContact O-N 3.13Å; L352-Y354 PolarHBondContact O-N 3.34Å; Y354-S356 PolarHBondContact O-N 3.06Å; Y354-S357 PolarHBondContact O-N 2.83Å; Y354-T358 WeakPolarHBondContact O-CG2 3.37Å; Y354-T358 PolarHBondContact O-N 3.48Å |
| 355 | V | 97.3 | Very high | 90.7 | Very high | 44 Ų | 44 | 23 Ų | 23 | 27% | 0.267 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -53.5 | -39.3 | 170.5 | 168 | 0 | 0 | 0 | 0 | 110.5 | L73 A351 L352 F353 S357 T358 I359 | L73-V355 HydrophobicContact CD1-CG2 3.94Å; L73-V355 HydrophobicContact CD2-CG2 3.73Å; A351-V355 VanDerWaalsContact O-CG2 3.3Å; A351-V355 WeakPolarHBondContact O-CG2 3.31Å; A351-V355 PolarHBondContact O-N 3.07Å; L352-V355 WeakPolarHBondContact O-CB 3.27Å; L352-V355 PolarHBondContact O-N 2.78Å; F353-V355 PolarHBondContact O-N 3.33Å; V355-S357 VanDerWaalsContact C-N 3.26Å; V355-S357 PolarHBondContact O-N 2.86Å; V355-T358 PolarHBondContact O-N 3.22Å; V355-T358 PolarHBondContact O-OG1 2.92Å; V355-I359 PolarHBondContact O-N 3.03Å |
| 356 | S | 94.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 178.9 | 81.3 | 0 | 0 | 0 | 0 | 113.8 | W316 L352 F353 Y354 T358 N360 | W316-S356 PolarHBondContact NE1-OG 2.98Å; L352-S356 PolarHBondContact O-N 3.05Å; F353-S356 VanDerWaalsContact O-CB 3.3Å; F353-S356 WeakPolarHBondContact O-CB 3.48Å; F353-S356 PolarHBondContact O-N 3.36Å; F353-S356 VanDerWaalsContact O-N 3.14Å; F353-S356 PolarHBondContact O-OG 3.43Å; Y354-S356 PolarHBondContact O-N 3.06Å; S356-T358 VanDerWaalsContact C-N 3.32Å; S356-N360 PolarHBondContact O-ND2 3.21Å; S356-N360 VanDerWaalsContact O-ND2 3.1Å |
| 357 | S | 94.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.8 | -14.8 | 175.9 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | N81 D112 Y354 V355 | N81-S357 PolarHBondContact ND2-O 3.49Å; D112-S357 VanDerWaalsContact OD1-CA 3.3Å; D112-S357 WeakPolarHBondContact OD1-CA 3.45Å; D112-S357 VanDerWaalsContact OD1-CB 3.31Å; D112-S357 WeakPolarHBondContact OD1-CB 3.46Å; D112-S357 PolarHBondContact OD1-OG 3.29Å; Y354-S357 PolarHBondContact O-N 2.83Å; V355-S357 VanDerWaalsContact C-N 3.26Å; V355-S357 PolarHBondContact O-N 2.86Å |
| 358 | T | 93.3 | Very high | 86.6 | Confident | 9 Ų | 9 | 28.4 Ų | 28.4 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -96.7 | -28.6 | 177.8 | 69 | 0 | 0 | 0 | 0 | 113.4 | L73 Y354 V355 S356 N360 | L73-T358 HydrophobicContact CB-CG2 4.01Å; L73-T358 HydrophobicContact CD2-CG2 3.9Å; L73-T358 WeakPolarHBondContact O-CG2 3.38Å; Y354-T358 WeakPolarHBondContact O-CG2 3.37Å; Y354-T358 PolarHBondContact O-N 3.48Å; V355-T358 PolarHBondContact O-N 3.22Å; V355-T358 PolarHBondContact O-OG1 2.92Å; S356-T358 VanDerWaalsContact C-N 3.32Å; T358-N360 VanDerWaalsContact C-N 3.34Å; T358-N360 PolarHBondContact O-N 3.44Å |
| 359 | I | 91.1 | Very high | 85.2 | Confident | 46 Ų | 46 | 27.7 Ų | 27.7 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -75.8 | -24.2 | -173.3 | -157.7 | 171.7 | 0 | 0 | 0 | 112.4 | A311 V355 I362 L363 | A311-I359 HydrophobicContact CB-CD1 4.09Å; V355-I359 PolarHBondContact O-N 3.03Å; I359-I362 WeakPolarHBondContact O-CB 3.39Å; I359-I362 PolarHBondContact O-N 3.04Å; I359-I362 VanDerWaalsContact O-N 3.11Å; I359-L363 HydrophobicContact CD1-CD1 4.49Å; I359-L363 HydrophobicContact CG1-CD1 4.11Å; I359-L363 HydrophobicContact CG1-CG 4.05Å; I359-L363 HydrophobicContact CG2-CD1 4.12Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 3.35Å |
| 360 | N | 83.6 | Confident | 83.8 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -53.6 | -175 | -68 | -31.3 | 0 | 0 | 0 | 113.1 | L108 D112 S356 T358 I362 L363 Y364 | L108-N360 HydrophobicContact CD2-CB 4.05Å; D112-N360 PolarHBondContact OD2-ND2 3.23Å; S356-N360 PolarHBondContact O-ND2 3.21Å; S356-N360 VanDerWaalsContact O-ND2 3.1Å; T358-N360 VanDerWaalsContact C-N 3.34Å; T358-N360 PolarHBondContact O-N 3.44Å; N360-I362 VanDerWaalsContact C-N 3.26Å; N360-I362 PolarHBondContact O-N 2.85Å; N360-L363 PolarHBondContact O-N 2.93Å; N360-Y364 HydrophobicContact CB-CE2 4.1Å; N360-Y364 WeakPolarHBondContact O-CD2 3.37Å; N360-Y364 WeakPolarHBondContact O-CE2 3.35Å; N360-Y364 VanDerWaalsContact O-CG 3.26Å; N360-Y364 PolarHBondContact O-N 3.43Å; N360-Y364 VanDerWaalsContact O-N 3.09Å |
| 361 | P | 80.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -36.3 | 172.8 | -27.5 | 34.9 | 0 | 0 | 0 | 114.2 | N81 Y364 N365 | N81-P361 WeakPolarHBondContact OD1-CD 3.34Å; N81-P361 WeakPolarHBondContact OD1-CG 3.4Å; P361-Y364 PolarHBondContact O-N 2.68Å; P361-N365 WeakPolarHBondContact O-CB 3.47Å; P361-N365 PolarHBondContact O-N 3.45Å; P361-N365 PolarHBondContact O-ND2 2.91Å |
| 362 | I | 78.7 | Confident | 81.6 | Confident | 83 Ų | 83 | 36.7 Ų | 36.7 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -49.6 | 179.7 | -58.5 | 174.5 | 0 | 0 | 0 | 109.3 | I359 N360 Y364 N365 L366 | I359-I362 WeakPolarHBondContact O-CB 3.39Å; I359-I362 PolarHBondContact O-N 3.04Å; I359-I362 VanDerWaalsContact O-N 3.11Å; N360-I362 VanDerWaalsContact C-N 3.26Å; N360-I362 PolarHBondContact O-N 2.85Å; I362-Y364 VanDerWaalsContact C-N 3.27Å; I362-Y364 PolarHBondContact O-N 3.44Å; I362-N365 PolarHBondContact O-N 3.21Å; I362-L366 HydrophobicContact CG2-CD1 4.11Å; I362-L366 WeakPolarHBondContact O-CG 3.49Å; I362-L366 PolarHBondContact O-N 3.08Å |
| 363 | L | 76.6 | Confident | 80.6 | Confident | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -40.2 | 177.8 | -68.7 | 170.9 | 0 | 0 | 0 | 111.3 | A307 V308 I359 N360 L366 V367 | A307-L363 HydrophobicContact CB-CD2 4.28Å; V308-L363 HydrophobicContact CG2-CD1 4.13Å; I359-L363 HydrophobicContact CD1-CD1 4.49Å; I359-L363 HydrophobicContact CG1-CD1 4.11Å; I359-L363 HydrophobicContact CG1-CG 4.05Å; I359-L363 HydrophobicContact CG2-CD1 4.12Å; I359-L363 WeakPolarHBondContact O-CG 3.46Å; I359-L363 PolarHBondContact O-N 3.35Å; N360-L363 PolarHBondContact O-N 2.93Å; L363-L366 PolarHBondContact O-N 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.22Å; L363-V367 PolarHBondContact O-N 3.49Å |
| 364 | Y | 70.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 42.7 Ų | 42.7 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.9 | -40.2 | 178.5 | -58 | -36.7 | 0 | 0 | 0 | 114 | L105 L108 L162 N360 P361 I362 L366 V367 S368 | L105-Y364 HydrophobicContact CD2-CD1 3.92Å; L105-Y364 HydrophobicContact CD2-CD2 3.47Å; L105-Y364 VanDerWaalsContact CD2-CD2 3.47Å; L105-Y364 HydrophobicContact CD2-CE1 4.19Å; L105-Y364 HydrophobicContact CD2-CE2 3.74Å; L105-Y364 HydrophobicContact CD2-CG 3.56Å; L105-Y364 HydrophobicContact CG-CD2 4.15Å; L105-Y364 HydrophobicContact CG-CE1 4.32Å; L105-Y364 HydrophobicContact CG-CE2 3.88Å; L105-Y364 HydrophobicContact CG-CG 4.46Å; L108-Y364 HydrophobicContact CD2-CE2 4.24Å; L108-Y364 WeakPolarHBondContact CD2-OH 3.27Å; L162-Y364 HydrophobicContact CD2-CE1 4.07Å; L162-Y364 WeakPolarHBondContact CD2-OH 3.45Å; N360-Y364 HydrophobicContact CB-CE2 4.1Å; N360-Y364 WeakPolarHBondContact O-CD2 3.37Å; N360-Y364 WeakPolarHBondContact O-CE2 3.35Å; N360-Y364 VanDerWaalsContact O-CG 3.26Å; N360-Y364 PolarHBondContact O-N 3.43Å; N360-Y364 VanDerWaalsContact O-N 3.09Å; P361-Y364 PolarHBondContact O-N 2.68Å; I362-Y364 VanDerWaalsContact C-N 3.27Å; I362-Y364 PolarHBondContact O-N 3.44Å; Y364-L366 PolarHBondContact O-N 3.14Å; Y364-V367 PolarHBondContact O-N 2.9Å; Y364-S368 PolarHBondContact O-N 3.32Å; Y364-S368 VanDerWaalsContact O-N 3.11Å |
| 365 | N | 70.3 | Confident | 78.5 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -28.3 | 174.7 | -80.6 | -65.9 | 0 | 0 | 0 | 112.5 | P361 I362 F371 R372 F375 | P361-N365 WeakPolarHBondContact O-CB 3.47Å; P361-N365 PolarHBondContact O-N 3.45Å; P361-N365 PolarHBondContact O-ND2 2.91Å; I362-N365 PolarHBondContact O-N 3.21Å; N365-F371 WeakPolarHBondContact OD1-CD1 3.42Å; N365-R372 WeakPolarHBondContact OD1-CA 3.48Å; N365-F375 VanDerWaalsContact OD1-CB 3.25Å; N365-F375 WeakPolarHBondContact OD1-CB 3.48Å; N365-F375 WeakPolarHBondContact OD1-CG 3.4Å |
| 366 | L | 68.4 | Low | 77.8 | Confident | 91 Ų | 91 | 45.7 Ų | 45.7 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.4 | -42.4 | 171 | -66.9 | 172.1 | 0 | 0 | 0 | 111.1 | H300 I362 L363 Y364 | H300-L366 PolarHBondContact CE1-O 3.4Å; I362-L366 HydrophobicContact CG2-CD1 4.11Å; I362-L366 WeakPolarHBondContact O-CG 3.49Å; I362-L366 PolarHBondContact O-N 3.08Å; L363-L366 PolarHBondContact O-N 3.29Å; Y364-L366 PolarHBondContact O-N 3.14Å |
| 367 | V | 66.4 | Low | 77.2 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | -176 | 173.9 | 0 | 0 | 0 | 0 | 113.6 | V304 L363 Y364 | V304-V367 HydrophobicContact CB-CG2 3.63Å; V304-V367 HydrophobicContact CG1-CG2 3.11Å; V304-V367 HydrophobicContact CG2-CG2 3.65Å; L363-V367 WeakPolarHBondContact O-CG2 3.22Å; L363-V367 PolarHBondContact O-N 3.49Å; Y364-V367 PolarHBondContact O-N 2.9Å |
| 368 | S | 69.3 | Low | 76.5 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | trans | -124.7 | 112 | -168.2 | 176 | 0 | 0 | 0 | 0 | 112.2 | Y364 N370 F371 R372 | Y364-S368 PolarHBondContact O-N 3.32Å; Y364-S368 VanDerWaalsContact O-N 3.11Å; S368-N370 VanDerWaalsContact C-N 3.27Å; S368-N370 PolarHBondContact O-N 2.87Å; S368-F371 PolarHBondContact O-N 3.43Å; S368-F371 WeakPolarHBondContact OG-CB 3.37Å; S368-F371 PolarHBondContact OG-N 3.42Å; S368-F371 VanDerWaalsContact OG-N 3.15Å; S368-R372 WeakPolarHBondContact O-CB 3.35Å; S368-R372 PolarHBondContact O-N 2.85Å | ||
| 369 | A | 68.7 | Low | 75.9 | Confident | 68 Ų | 68 | 50 Ų | 50 | 56% | 0.562 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.8 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R372 H373 | A369-R372 PolarHBondContact O-N 2.86Å; A369-H373 PolarHBondContact O-N 2.88Å |
| 370 | N | 68.1 | Low | 75.5 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 36% | 0.358 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 175.6 | -170.1 | 19.9 | 0 | 0 | 0 | 110.9 | K91 S368 H373 I374 | K91-N370 PolarHBondContact NZ-ND2 3.4Å; S368-N370 VanDerWaalsContact C-N 3.27Å; S368-N370 PolarHBondContact O-N 2.87Å; N370-H373 PolarHBondContact O-N 3.41Å; N370-I374 VanDerWaalsContact O-CD1 3.3Å; N370-I374 WeakPolarHBondContact O-CD1 3.36Å; N370-I374 VanDerWaalsContact O-CG1 3.25Å; N370-I374 WeakPolarHBondContact O-CG1 3.3Å; N370-I374 PolarHBondContact O-N 3.48Å |
| 371 | F | 68.8 | Low | 75.1 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.2 | -173.3 | -98.6 | 0 | 0 | 0 | 111.1 | T84 T87 L88 N365 S368 H373 I374 F375 | T84-F371 HydrophobicContact CG2-CZ 3.95Å; T87-F371 HydrophobicContact CG2-CE2 4.35Å; L88-F371 HydrophobicContact CD2-CE2 4.13Å; L88-F371 HydrophobicContact CG-CE2 4.47Å; N365-F371 WeakPolarHBondContact OD1-CD1 3.42Å; S368-F371 PolarHBondContact O-N 3.43Å; S368-F371 WeakPolarHBondContact OG-CB 3.37Å; S368-F371 PolarHBondContact OG-N 3.42Å; S368-F371 VanDerWaalsContact OG-N 3.15Å; F371-H373 PolarHBondContact O-N 3.32Å; F371-I374 PolarHBondContact O-N 2.91Å; F371-F375 HydrophobicContact CE1-CB 4.46Å; F371-F375 HydrophobicContact CE1-CD2 4.08Å; F371-F375 HydrophobicContact CZ-CD2 4.35Å; F371-F375 VanDerWaalsContact O-CB 3.32Å; F371-F375 WeakPolarHBondContact O-CB 3.34Å; F371-F375 PolarHBondContact O-N 3.36Å |
| 372 | R | 79.3 | Confident | 74.9 | Confident | 124 Ų | 124 | 57.6 Ų | 57.6 | 47% | 0.468 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.4 | -174.3 | 173.2 | 65.2 | -174.2 | 1.1 | 113.1 | N365 S368 A369 I374 F375 L376 | N365-R372 WeakPolarHBondContact OD1-CA 3.48Å; S368-R372 WeakPolarHBondContact O-CB 3.35Å; S368-R372 PolarHBondContact O-N 2.85Å; A369-R372 PolarHBondContact O-N 2.86Å; R372-I374 VanDerWaalsContact C-N 3.31Å; R372-I374 PolarHBondContact O-N 2.94Å; R372-F375 PolarHBondContact O-N 3.48Å; R372-L376 HydrophobicContact CG-CD1 3.96Å; R372-L376 HydrophobicContact CG-CG 4.4Å; R372-L376 WeakPolarHBondContact O-CB 3.48Å; R372-L376 VanDerWaalsContact O-CG 3.28Å; R372-L376 WeakPolarHBondContact O-CG 3.35Å; R372-L376 PolarHBondContact O-N 2.91Å |
| 373 | H | 77.1 | Confident | 74.5 | Confident | 138 Ų | 138 | 56 Ų | 56 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.7 | -45.1 | 178.1 | -178.4 | -91.8 | 0 | 0 | 0 | 111.3 | A369 N370 F371 A377 | A369-H373 PolarHBondContact O-N 2.88Å; N370-H373 PolarHBondContact O-N 3.41Å; F371-H373 PolarHBondContact O-N 3.32Å; H373-A377 WeakPolarHBondContact O-CB 3.22Å; H373-A377 PolarHBondContact O-N 2.87Å |
| 374 | I | 73.4 | Confident | 73.5 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.6 | -43.7 | -179.2 | -56.6 | 159.7 | 0 | 0 | 0 | 110.6 | T87 K91 N370 F371 R372 L376 A377 T378 | T87-I374 HydrophobicContact CG2-CB 4.11Å; T87-I374 HydrophobicContact CG2-CG2 3.39Å; K91-I374 HydrophobicContact CD-CD1 3.8Å; N370-I374 VanDerWaalsContact O-CD1 3.3Å; N370-I374 WeakPolarHBondContact O-CD1 3.36Å; N370-I374 VanDerWaalsContact O-CG1 3.25Å; N370-I374 WeakPolarHBondContact O-CG1 3.3Å; N370-I374 PolarHBondContact O-N 3.48Å; F371-I374 PolarHBondContact O-N 2.91Å; R372-I374 VanDerWaalsContact C-N 3.31Å; R372-I374 PolarHBondContact O-N 2.94Å; I374-L376 PolarHBondContact O-N 3.48Å; I374-A377 PolarHBondContact O-N 2.87Å; I374-T378 WeakPolarHBondContact O-CB 3.45Å; I374-T378 PolarHBondContact O-N 2.74Å; I374-T378 PolarHBondContact O-OG1 2.98Å |
| 375 | F | 78.4 | Confident | 72.9 | Confident | 23 Ų | 23 | 64 Ų | 64 | 10% | 0.101 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 177.3 | -174.6 | -83.2 | 0 | 0 | 0 | 111.5 | V83 N365 F371 R372 T378 L379 | V83-F375 HydrophobicContact CB-CD2 4.27Å; V83-F375 HydrophobicContact CB-CE2 3.64Å; V83-F375 HydrophobicContact CB-CZ 3.92Å; V83-F375 HydrophobicContact CG1-CD1 4.35Å; V83-F375 HydrophobicContact CG1-CD2 3.52Å; V83-F375 HydrophobicContact CG1-CE1 4.23Å; V83-F375 HydrophobicContact CG1-CE2 3.38Å; V83-F375 HydrophobicContact CG1-CG 4.01Å; V83-F375 HydrophobicContact CG1-CZ 3.75Å; N365-F375 VanDerWaalsContact OD1-CB 3.25Å; N365-F375 WeakPolarHBondContact OD1-CB 3.48Å; N365-F375 WeakPolarHBondContact OD1-CG 3.4Å; F371-F375 HydrophobicContact CE1-CB 4.46Å; F371-F375 HydrophobicContact CE1-CD2 4.08Å; F371-F375 HydrophobicContact CZ-CD2 4.35Å; F371-F375 VanDerWaalsContact O-CB 3.32Å; F371-F375 WeakPolarHBondContact O-CB 3.34Å; F371-F375 PolarHBondContact O-N 3.36Å; R372-F375 PolarHBondContact O-N 3.48Å; F375-T378 PolarHBondContact O-N 2.95Å; F375-L379 WeakPolarHBondContact O-CB 3.37Å; F375-L379 PolarHBondContact O-N 3.4Å |
| 376 | L | 83.2 | Confident | 72 | Confident | 85 Ų | 85 | 71 Ų | 71 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.1 | -68.1 | 174.7 | 0 | 0 | 0 | 112.5 | R372 I374 L379 A380 | R372-L376 HydrophobicContact CG-CD1 3.96Å; R372-L376 HydrophobicContact CG-CG 4.4Å; R372-L376 WeakPolarHBondContact O-CB 3.48Å; R372-L376 VanDerWaalsContact O-CG 3.28Å; R372-L376 WeakPolarHBondContact O-CG 3.35Å; R372-L376 PolarHBondContact O-N 2.91Å; I374-L376 PolarHBondContact O-N 3.48Å; L376-L379 PolarHBondContact O-N 3.2Å; L376-A380 VanDerWaalsContact O-CB 3.32Å; L376-A380 WeakPolarHBondContact O-CB 3.43Å; L376-A380 PolarHBondContact O-N 2.96Å |
| 377 | A | 80.9 | Confident | 71 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H373 I374 A380 C381 | H373-A377 WeakPolarHBondContact O-CB 3.22Å; H373-A377 PolarHBondContact O-N 2.87Å; I374-A377 PolarHBondContact O-N 2.87Å; A377-A380 PolarHBondContact O-N 3.29Å; A377-C381 WeakPolarHBondContact O-CB 3.33Å; A377-C381 PolarHBondContact O-N 3.3Å |
| 378 | T | 79.8 | Confident | 70.1 | Confident | 18 Ų | 18 | 83.3 Ų | 83.3 | 11% | 0.11 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 174 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | V83 F86 T87 I374 F375 A380 C381 L382 | V83-T378 HydrophobicContact CG1-CG2 3.96Å; F86-T378 HydrophobicContact CD1-CG2 3.55Å; F86-T378 HydrophobicContact CE1-CG2 3.89Å; T87-T378 PolarHBondContact OG1-OG1 3.25Å; I374-T378 WeakPolarHBondContact O-CB 3.45Å; I374-T378 PolarHBondContact O-N 2.74Å; I374-T378 PolarHBondContact O-OG1 2.98Å; F375-T378 PolarHBondContact O-N 2.95Å; T378-A380 VanDerWaalsContact C-N 3.34Å; T378-A380 PolarHBondContact O-N 3.09Å; T378-C381 WeakPolarHBondContact O-CB 3.44Å; T378-C381 PolarHBondContact O-N 3.15Å; T378-C381 VanDerWaalsContact O-N 3.09Å; T378-L382 HydrophobicContact CG2-CD1 3.83Å; T378-L382 HydrophobicContact CG2-CG 4.39Å; T378-L382 WeakPolarHBondContact O-CG 3.41Å; T378-L382 PolarHBondContact O-N 2.97Å |
| 379 | L | 82.3 | Confident | 69.2 | Low | 36 Ų | 36 | 92.1 Ų | 92.1 | 19% | 0.188 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 178.3 | -171.2 | 68.9 | 0 | 0 | 0 | 111.8 | V79 V83 F375 L376 C381 L382 C383 | V79-L379 HydrophobicContact CG1-CD1 4.38Å; V83-L379 HydrophobicContact CG2-CD1 4.38Å; F375-L379 WeakPolarHBondContact O-CB 3.37Å; F375-L379 PolarHBondContact O-N 3.4Å; L376-L379 PolarHBondContact O-N 3.2Å; L379-C381 VanDerWaalsContact C-N 3.27Å; L379-C381 PolarHBondContact O-N 3.45Å; L379-L382 PolarHBondContact O-N 3.33Å; L379-C383 WeakPolarHBondContact O-CB 3.37Å; L379-C383 PolarHBondContact O-N 2.75Å |
| 380 | A | 81.1 | Confident | 68.2 | Low | 28 Ų | 28 | 99.5 Ų | 99.5 | 23% | 0.231 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.9 | -26.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L376 A377 T378 | L376-A380 VanDerWaalsContact O-CB 3.32Å; L376-A380 WeakPolarHBondContact O-CB 3.43Å; L376-A380 PolarHBondContact O-N 2.96Å; A377-A380 PolarHBondContact O-N 3.29Å; T378-A380 VanDerWaalsContact C-N 3.34Å; T378-A380 PolarHBondContact O-N 3.09Å |
| 381 | C | 76.1 | Confident | 67.1 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 69% | 0.689 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.8 | -41.8 | 173.5 | -169 | 0 | 0 | 0 | 0 | 111.5 | A377 T378 L379 | A377-C381 WeakPolarHBondContact O-CB 3.33Å; A377-C381 PolarHBondContact O-N 3.3Å; T378-C381 WeakPolarHBondContact O-CB 3.44Å; T378-C381 PolarHBondContact O-N 3.15Å; T378-C381 VanDerWaalsContact O-N 3.09Å; L379-C381 VanDerWaalsContact C-N 3.27Å; L379-C381 PolarHBondContact O-N 3.45Å |
| 382 | L | 75.7 | Confident | 65.7 | Low | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.4 | -23 | 179.5 | -65.3 | 171.4 | 0 | 0 | 0 | 113.1 | V83 T378 L379 P384 | V83-L382 HydrophobicContact CG2-CD1 4.12Å; T378-L382 HydrophobicContact CG2-CD1 3.83Å; T378-L382 HydrophobicContact CG2-CG 4.39Å; T378-L382 WeakPolarHBondContact O-CG 3.41Å; T378-L382 PolarHBondContact O-N 2.97Å; L379-L382 PolarHBondContact O-N 3.33Å; L382-P384 WeakPolarHBondContact O-CD 3.47Å |
| 383 | C | 70 | Confident | 63.9 | Low | 50 Ų | 50 | 114.4 Ų | 114.4 | 34% | 0.338 | 54% | 0.541 | S | S | . | . | trans | -112.7 | 92.5 | 176.5 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | L379 V385 W386 | L379-C383 WeakPolarHBondContact O-CB 3.37Å; L379-C383 PolarHBondContact O-N 2.75Å; C383-V385 PolarHBondContact O-N 3.34Å; C383-V385 VanDerWaalsContact O-N 3.08Å; C383-W386 HydrophobicContact CB-CB 4.48Å; C383-W386 HydrophobicContact CB-CG 4.45Å; C383-W386 PolarHBondContact O-N 3.39Å | ||
| 384 | P | 56.2 | Low | 62.3 | Low | 94 Ų | 94 | 112.5 Ų | 112.5 | 61% | 0.61 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.6 | -27.3 | -178.9 | -22.9 | 31 | 0 | 0 | 0 | 114.4 | L382 W386 R387 R388 | L382-P384 WeakPolarHBondContact O-CD 3.47Å; P384-W386 VanDerWaalsContact C-N 3.3Å; P384-W386 PolarHBondContact O-N 2.89Å; P384-R387 WeakPolarHBondContact O-CB 3.38Å; P384-R387 PolarHBondContact O-N 3.43Å; P384-R388 PolarHBondContact O-N 3.14Å |
| 385 | V | 58.1 | Low | 60.7 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 67% | 0.673 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.4 | -35.8 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | C383 R388 | C383-V385 PolarHBondContact O-N 3.34Å; C383-V385 VanDerWaalsContact O-N 3.08Å; V385-R388 PolarHBondContact O-N 3.23Å |
| 386 | W | 50.7 | Low | 58.8 | Low | 165 Ų | 165 | 124.1 Ų | 124.1 | 63% | 0.625 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.7 | -28.5 | 178.2 | -79.2 | 49.3 | 0 | 0 | 0 | 112.4 | C383 P384 R388 R389 | C383-W386 HydrophobicContact CB-CB 4.48Å; C383-W386 HydrophobicContact CB-CG 4.45Å; C383-W386 PolarHBondContact O-N 3.39Å; P384-W386 VanDerWaalsContact C-N 3.3Å; P384-W386 PolarHBondContact O-N 2.89Å; W386-R388 VanDerWaalsContact C-N 3.3Å; W386-R388 PolarHBondContact O-N 3.43Å; W386-R389 PolarHBondContact O-N 3.08Å |
| 387 | R | 48.1 | Very low | 56.7 | Low | 180 Ų | 180 | 131.3 Ų | 131.3 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66 | -31.4 | 174.7 | -160 | 178.4 | -175.5 | -154 | 2.5 | 112.3 | P384 | P384-R387 WeakPolarHBondContact O-CB 3.38Å; P384-R387 PolarHBondContact O-N 3.43Å |
| 388 | R | 47.6 | Very low | 54.7 | Low | 218 Ų | 218 | 137.7 Ų | 137.7 | 82% | 0.823 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.2 | -38 | 175.8 | -82.2 | -174.4 | -179 | 178.7 | 1 | 113.1 | P384 V385 W386 R390 K391 | P384-R388 PolarHBondContact O-N 3.14Å; V385-R388 PolarHBondContact O-N 3.23Å; W386-R388 VanDerWaalsContact C-N 3.3Å; W386-R388 PolarHBondContact O-N 3.43Å; R388-R390 VanDerWaalsContact C-N 3.33Å; R388-R390 PolarHBondContact O-N 2.9Å; R388-K391 PolarHBondContact O-N 3.12Å |
| 389 | R | 48.9 | Very low | 52.6 | Low | 225 Ų | 225 | 141.3 Ų | 141.3 | 85% | 0.849 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.9 | -24.5 | 179.7 | -91.7 | -174.7 | 175.7 | 177.1 | -0.5 | 114.5 | W386 | W386-R389 PolarHBondContact O-N 3.08Å |
| 390 | R | 48.4 | Very low | 50.3 | Low | 224 Ų | 224 | 146.6 Ų | 146.6 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -13.4 | -179 | -126.6 | 177.5 | -178 | 177.1 | -0.7 | 114.3 | R388 R392 | R388-R390 VanDerWaalsContact C-N 3.33Å; R388-R390 PolarHBondContact O-N 2.9Å; R390-R392 PolarHBondContact O-N 3.25Å |
| 391 | K | 44.6 | Very low | 48.1 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | -85.8 | 76.7 | 168.7 | -71.2 | -171.8 | 175.8 | -172 | 0 | 109.4 | R388 | R388-K391 PolarHBondContact O-N 3.12Š| ||
| 392 | R | 40.1 | Very low | 46.2 | Very low | 228 Ų | 228 | 152.2 Ų | 152.2 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 151 | 154.3 | -82.6 | -173.1 | 177.1 | -175.1 | -1 | 108.5 | R390 A394 | R390-R392 PolarHBondContact O-N 3.25Å; R392-A394 PolarHBondContact O-N 3.33Å |
| 393 | P | 41.9 | Very low | 44.2 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 132.9 | -167.4 | -10.9 | 25.3 | 0 | 0 | 0 | 109.8 | F395 | P393-F395 PolarHBondContact O-N 3.02Å; P393-F395 VanDerWaalsContact O-N 3.09Å |
| 394 | A | 42 | Very low | 42.5 | Very low | 98 Ų | 98 | 154.9 Ų | 154.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58 | 116.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | R392 S396 | R392-A394 PolarHBondContact O-N 3.33Å; A394-S396 PolarHBondContact O-N 3.08Å |
| 395 | F | 41.1 | Very low | 41.5 | Very low | 202 Ų | 202 | 157 Ų | 157 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | trans | -59.3 | 113.5 | 168.7 | -150.8 | -95.9 | 0 | 0 | 0 | 106.4 | P393 R397 | P393-F395 PolarHBondContact O-N 3.02Å; P393-F395 VanDerWaalsContact O-N 3.09Å; F395-R397 PolarHBondContact O-N 3.4Å | ||
| 396 | S | 38 | Very low | 40.4 | Very low | 101 Ų | 101 | 160.3 Ų | 160.3 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -59.4 | 99.8 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | A394 K398 | A394-S396 PolarHBondContact O-N 3.08Å; S396-K398 PolarHBondContact O-N 3.28Å | ||
| 397 | R | 39.9 | Very low | 39.7 | Very low | 236 Ų | 236 | 158.8 Ų | 158.8 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 103.1 | 159 | -82 | -174.9 | -175.1 | 172.4 | 1.2 | 106 | F395 A399 | F395-R397 PolarHBondContact O-N 3.4Å; R397-A399 PolarHBondContact O-N 3.35Å | ||
| 398 | K | 38 | Very low | 38.9 | Very low | 186 Ų | 186 | 158.4 Ų | 158.4 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | trans | -52.2 | 107.7 | 159.5 | -82 | -179.5 | 174.2 | 179.8 | 0 | 107.5 | S396 N400 | S396-K398 PolarHBondContact O-N 3.28Å; K398-N400 PolarHBondContact O-N 3.12Å | ||
| 399 | A | 36 | Very low | 38.2 | Very low | 94 Ų | 94 | 153.4 Ų | 153.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -79.7 | 107.5 | 164 | 0 | 0 | 0 | 0 | 0 | 106.7 | R397 S401 | R397-A399 PolarHBondContact O-N 3.35Å; A399-S401 PolarHBondContact O-N 3.47Å | ||
| 400 | N | 33.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -71.6 | 109 | 162.3 | -77.7 | -7.7 | 0 | 0 | 0 | 106.9 | K398 V402 | K398-N400 PolarHBondContact O-N 3.12Å; N400-V402 PolarHBondContact O-N 3.23Å | ||
| 401 | S | 35.8 | Very low | 36.7 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -71.2 | 110.3 | 167.2 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | A399 | A399-S401 PolarHBondContact O-N 3.47Š| ||
| 402 | V | 35.9 | Very low | 36.1 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -101.5 | 110 | 155.5 | 177.3 | 0 | 0 | 0 | 0 | 106.1 | N400 | N400-V402 PolarHBondContact O-N 3.23Š| ||
| 403 | S | 33.8 | Very low | 35.6 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -69.4 | 128.2 | 169.4 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 404 | S | 33 | Very low | 35.1 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -141.9 | 103.2 | 160.5 | 55.5 | 0 | 0 | 0 | 0 | 108.7 | H406 | S404-H406 PolarHBondContact O-N 2.89Š| ||
| 405 | N | 35 | Very low | 34.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -58 | 121.1 | 167.2 | -72.2 | -29.2 | 0 | 0 | 0 | 109.8 | ||||
| 406 | H | 35.9 | Very low | 34.1 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -146.3 | 109.8 | 147.7 | -88.8 | -71.1 | 0 | 0 | 0 | 109.9 | S404 | S404-H406 PolarHBondContact O-N 2.89Š| ||
| 407 | T | 35.6 | Very low | 33.8 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -57.6 | 127.1 | 158.4 | 29.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 408 | L | 31.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -155 | 125 | 148.9 | -114.4 | 134.2 | 0 | 0 | 0 | 110.6 | ||||
| 409 | S | 33.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -75.5 | 141.6 | 175.2 | 118.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 410 | S | 30.9 | Very low | 33 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -170.8 | 136.1 | 130.9 | 67 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 411 | N | 34.4 | Very low | 33 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -48.5 | 142 | 165.6 | -66.2 | -38 | 0 | 0 | 0 | 113.5 | ||||
| 412 | A | 31.3 | Very low | 32.8 | Very low | 90 Ų | 90 | 148.6 Ų | 148.6 | 74% | 0.744 | 81% | 0.814 | S | S | * | * | trans | -164.4 | 104.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 413 | T | 29.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | 15.7 | 127 | 134.1 | 29.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 414 | R | 31.4 | Very low | 32.6 | Very low | 225 Ų | 225 | 153.2 Ų | 153.2 | 85% | 0.849 | 82% | 0.824 | S | S | * | * | 63.7 | 116.5 | 124.4 | -126 | -179.7 | -174.3 | 172.4 | -0.1 | 117.5 | |||||
| 415 | E | 28.2 | Very low | 32.5 | Very low | 161 Ų | 161 | 156.7 Ų | 156.7 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | 172.6 | 128.5 | 104.2 | -94.3 | 177.1 | 179.3 | 0 | 0 | 112.8 | |||||
| 416 | T | 33.8 | Very low | 32.3 | Very low | 132 Ų | 132 | 158 Ų | 158 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -65.5 | 131.4 | 160.7 | 39.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 417 | L | 31.9 | Very low | 32 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | -134.3 | 135.8 | 165.2 | -105.3 | 148.1 | 0 | 0 | 0 | 110.8 | ||||
| 418 | Y | 32.2 | Very low | 31.7 | Very low | 291 Ų | 291 | 158.3 Ų | 158.3 | 100% | 1.141 | 84% | 0.839 | S | S | * | * | trans | -60.7 | 0 | -165.9 | -79.4 | -97.5 | 0 | 0 | 0 | 116.2 |
Retrieved 418 of 418 residues in 1355.6 ms
(Link to these results)