| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 33.4 | Very low | 214 Ų | 214 | 149.9 Ų | 149.9 | 100% | 1.054 | 81% | 0.811 | S | S | * | * | 0 | 80.3 | 0 | -74.6 | 172.5 | 171.7 | 0 | 0 | 108.4 | |||||
| 2 | E | 32.2 | Very low | 34 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | cis | 57.6 | 130.8 | 26.4 | -61.8 | 160.1 | 119.5 | 0 | 0 | 111.8 | ||||
| 3 | D | 30.6 | Very low | 34.2 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | cis | -165.7 | -179.9 | -4.2 | -143.3 | -30.8 | 0 | 0 | 0 | 111.2 | ||||
| 4 | Q | 32.4 | Very low | 34 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | trans | 71.4 | 130.1 | 161.3 | -66.3 | 169.8 | 6.4 | 0 | 0 | 117.6 | ||||
| 5 | V | 34.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | cis | 72 | 120.6 | 39.7 | -169.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 6 | T | 33.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -166.3 | 160.2 | 69 | -38.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 7 | Q | 33.5 | Very low | 34.3 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -77.7 | 169.8 | 164 | -64.6 | 169.8 | -93.2 | 0 | 0 | 112.5 | ||||
| 8 | E | 29.9 | Very low | 34.3 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | 137 | 141.5 | 149.6 | -80.3 | -168.9 | 132.1 | 0 | 0 | 109.6 | ||||
| 9 | S | 29.1 | Very low | 34.2 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | cis | 172.5 | 135.2 | -10.4 | 49.6 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 10 | C | 30.3 | Very low | 34.5 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | trans | -68.9 | 157.8 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 11 | P | 40.1 | Very low | 34.2 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -142.1 | 167.1 | 108.5 | 35.7 | -21.3 | 0 | 0 | 0 | 116.3 | |||||
| 12 | V | 40.6 | Very low | 34.3 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 151.7 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | P | 36 | Very low | 34.1 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -135.1 | 118.7 | 150.4 | 34.3 | -18.5 | 0 | 0 | 0 | 115.3 | ||||
| 14 | E | 31.9 | Very low | 34.1 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -146.8 | 161.7 | 150.4 | -108.3 | -166.5 | 128.3 | 0 | 0 | 105.8 | ||||
| 15 | P | 40.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | cis | -125.7 | 177.7 | 3.3 | 41.5 | -27.5 | 0 | 0 | 0 | 113.6 | ||||
| 16 | T | 33.3 | Very low | 33.9 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -128.7 | 104.8 | 167 | -46.4 | 0 | 0 | 0 | 0 | 111.9 | V18 | T16-V18 HydrophobicContact CG2-CG2 4Š| ||
| 17 | V | 32.8 | Very low | 33.7 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -84.8 | 137.3 | 165.3 | 168.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 18 | V | 35.2 | Very low | 33.5 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -142.8 | 104.4 | 164.2 | -148 | 0 | 0 | 0 | 0 | 111.1 | T16 | T16-V18 HydrophobicContact CG2-CG2 4Š| ||
| 19 | D | 32.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -109.3 | 144.1 | 152.4 | -102 | -39.7 | 0 | 0 | 0 | 106.9 | ||||
| 20 | P | 39.4 | Very low | 33.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -143.4 | 124.5 | 135.1 | 30.5 | -13.2 | 0 | 0 | 0 | 113.8 | ||||
| 21 | W | 30 | Very low | 33.3 | Very low | 237 Ų | 237 | 136 Ų | 136 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -81.9 | 156.7 | 156.6 | -144.7 | -33.4 | 0 | 0 | 0 | 109.3 | ||||
| 22 | P | 42.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | -142.7 | 147.1 | 116 | 36.1 | -23.1 | 0 | 0 | 0 | 116.3 | |||||
| 23 | A | 28.6 | Very low | 32.1 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | trans | 57.9 | 104.8 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 24 | T | 30.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | 40.3 | 112.7 | 125.5 | 58.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 25 | V | 34.3 | Very low | 31.3 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 95% | 0.945 | 78% | 0.778 | S | S | * | * | trans | -138.2 | 149.8 | 139.7 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 26 | R | 28.9 | Very low | 30.7 | Very low | 224 Ų | 224 | 134.5 Ų | 134.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -125.6 | 127.4 | -168.3 | 164.9 | -166.7 | -179 | -174.2 | 2.5 | 110.7 | ||||
| 27 | N | 29.4 | Very low | 30.4 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | 169.2 | 151.6 | 155.8 | -93.5 | -12 | 0 | 0 | 0 | 108.2 | ||||
| 28 | G | 29.1 | Very low | 30.3 | Very low | 61 Ų | 61 | 134.8 Ų | 134.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 178.2 | 168.8 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 29 | Q | 27.7 | Very low | 29.9 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -29.9 | 165.1 | 170.3 | -71.4 | 103.7 | -47.3 | 0 | 0 | 118.6 | ||||
| 30 | C | 28.1 | Very low | 29.7 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -168.1 | 166 | -5.9 | -109.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 31 | A | 28.1 | Very low | 29.2 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | 10.5 | 138.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 32 | A | 29.4 | Very low | 29 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | 78.2 | 156.2 | 126.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 33 | D | 26.6 | Very low | 28.3 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | 65.6 | 148.9 | 169.4 | -53.9 | -27.6 | 0 | 0 | 0 | 118.5 | ||||
| 34 | G | 24 | Very low | 28.1 | Very low | 59 Ų | 59 | 145.3 Ų | 145.3 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | cis | 153.2 | 139.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 35 | F | 26.2 | Very low | 28 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | 62.4 | 164 | 176.9 | -66.3 | -92 | 0 | 0 | 0 | 115.5 | ||||
| 36 | T | 28.2 | Very low | 28.6 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | cis | -163.9 | 163.6 | 8.8 | -2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 37 | N | 28 | Very low | 28.4 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | cis | -171.3 | 174.3 | -37.5 | -171.7 | 25.8 | 0 | 0 | 0 | 108.9 | ||||
| 38 | H | 31 | Very low | 28.3 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | 74.3 | 156.7 | 165.6 | -60.3 | -78 | 0 | 0 | 0 | 120.2 | ||||
| 39 | Q | 26.3 | Very low | 28.5 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | 177.7 | 124.4 | -31.7 | 176 | 175.4 | 1.7 | 0 | 0 | 109.2 | ||||
| 40 | Q | 27.4 | Very low | 28.8 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -162.1 | 143.7 | 144.1 | -130.7 | 168.6 | -13.3 | 0 | 0 | 112.9 | ||||
| 41 | Q | 28 | Very low | 28.7 | Very low | 176 Ų | 176 | 142.4 Ų | 142.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -156.5 | 118.2 | -167.1 | -177.5 | -176.1 | 37 | 0 | 0 | 110.5 | ||||
| 42 | Q | 27.3 | Very low | 29 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 175.5 | 148.1 | 162.2 | -106 | 171.9 | -24.3 | 0 | 0 | 109 | ||||
| 43 | A | 26.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | cis | -170.3 | 165.2 | -27.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | K | 25.3 | Very low | 30.5 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | trans | 88.6 | 117.6 | 156.2 | -124.8 | 172.3 | -174.1 | 179.1 | 0 | 120.4 | ||||
| 45 | T | 27.5 | Very low | 31.3 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -87.8 | -171.4 | 169.8 | 8.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | P | 47.8 | Very low | 31.9 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -139.8 | 157 | -20.6 | 33.3 | -15.1 | 0 | 0 | 0 | 116.1 | ||||
| 47 | T | 24.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -163.5 | 137.2 | 142.9 | -3.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 48 | E | 27 | Very low | 33.2 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | 70.5 | 157.6 | 148.8 | -93.3 | -173.3 | 110.7 | 0 | 0 | 121.5 | ||||
| 49 | P | 33.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | -111.5 | 171.2 | -105.5 | 41.4 | -37.9 | 0 | 0 | 0 | 115.8 | S51 | P49-S51 PolarHBondContact O-N 3.45Š| |||
| 50 | E | 33.4 | Very low | 34.1 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -56.5 | 123.3 | 177.9 | -65 | -178.1 | 98 | 0 | 0 | 113.1 | F52 | E50-F52 PolarHBondContact O-N 3.2Š| ||
| 51 | S | 27.5 | Very low | 35 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -81.8 | 110.2 | 165.6 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | P49 | P49-S51 PolarHBondContact O-N 3.45Š| ||
| 52 | F | 33.7 | Very low | 36 | Very low | 182 Ų | 182 | 135 Ų | 135 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | -52.3 | 136.5 | -179 | -106.5 | -112.3 | 0 | 0 | 0 | 113 | E50 V54 | E50-F52 PolarHBondContact O-N 3.2Å; F52-V54 PolarHBondContact O-N 3.28Å | ||
| 53 | T | 41.3 | Very low | 37 | Very low | 109 Ų | 109 | 130 Ų | 130 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | trans | -65.4 | 92.3 | 177.2 | 41.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 54 | V | 46.2 | Very low | 38.3 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 61% | 0.606 | 69% | 0.691 | S | S | * | * | trans | -110.2 | -20.6 | 171 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | F52 Q56 | F52-V54 PolarHBondContact O-N 3.28Å; V54-Q56 VanDerWaalsContact C-N 3.34Å; V54-Q56 PolarHBondContact O-N 3Å | ||
| 55 | N | 40.1 | Very low | 39.5 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.6 | -8.2 | -176 | -70.7 | -62.4 | 0 | 0 | 0 | 115.1 | ||
| 56 | Q | 40.3 | Very low | 40.5 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 62% | 0.617 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -92.8 | -40.3 | -172.2 | -162.6 | 160.3 | -7.2 | 0 | 0 | 113.5 | V54 M58 K59 I60 | V54-Q56 VanDerWaalsContact C-N 3.34Å; V54-Q56 PolarHBondContact O-N 3Å; Q56-M58 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 2.85Å; Q56-K59 PolarHBondContact O-N 2.99Å; Q56-I60 HydrophobicContact CG-CD1 4.21Å; Q56-I60 WeakPolarHBondContact O-CG1 3.28Å; Q56-I60 PolarHBondContact O-N 2.81Å; Q56-I60 VanDerWaalsContact O-N 3.15Å |
| 57 | E | 38.9 | Very low | 40.7 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 72% | 0.72 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -37.2 | 174.8 | -81.7 | -177.8 | 76.2 | 0 | 0 | 112.8 | K59 I60 T61 | E57-K59 VanDerWaalsContact C-N 3.32Å; E57-K59 PolarHBondContact O-N 3.47Å; E57-I60 PolarHBondContact O-N 2.93Å; E57-T61 PolarHBondContact O-N 3.17Å; E57-T61 PolarHBondContact O-OG1 3.36Å |
| 58 | M | 42.6 | Very low | 42 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 67% | 0.665 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -36.4 | 177.9 | -161.9 | 170.5 | -71.9 | 0 | 0 | 111.6 | Q56 D62 | Q56-M58 VanDerWaalsContact C-N 3.34Å; Q56-M58 PolarHBondContact O-N 2.85Å; M58-D62 PolarHBondContact O-N 2.99Å |
| 59 | K | 34.2 | Very low | 43.2 | Very low | 155 Ų | 155 | 106.2 Ų | 106.2 | 67% | 0.674 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74.1 | -35.9 | 178.5 | -169.1 | 176.8 | -179.5 | -176.3 | 0 | 113.4 | Q56 E57 N63 | Q56-K59 PolarHBondContact O-N 2.99Å; E57-K59 VanDerWaalsContact C-N 3.32Å; E57-K59 PolarHBondContact O-N 3.47Å; K59-N63 PolarHBondContact O-N 3.04Å |
| 60 | I | 43.3 | Very low | 44 | Very low | 102 Ų | 102 | 106.3 Ų | 106.3 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | 179.7 | -67.9 | 165.3 | 0 | 0 | 0 | 110.5 | Q56 E57 N63 V64 | Q56-I60 HydrophobicContact CG-CD1 4.21Å; Q56-I60 WeakPolarHBondContact O-CG1 3.28Å; Q56-I60 PolarHBondContact O-N 2.81Å; Q56-I60 VanDerWaalsContact O-N 3.15Å; E57-I60 PolarHBondContact O-N 2.93Å; I60-N63 PolarHBondContact O-N 3.23Å; I60-V64 WeakPolarHBondContact O-CG2 3.43Å; I60-V64 PolarHBondContact O-N 3.5Å |
| 61 | T | 46.2 | Very low | 44.5 | Very low | 88 Ų | 88 | 102.2 Ų | 102.2 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | -178.1 | -44.8 | 0 | 0 | 0 | 0 | 112.5 | E57 D65 | E57-T61 PolarHBondContact O-N 3.17Å; E57-T61 PolarHBondContact O-OG1 3.36Å; T61-D65 PolarHBondContact O-N 3.42Å |
| 62 | D | 49.9 | Very low | 45.6 | Very low | 68 Ų | 68 | 97.6 Ų | 97.6 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 178.8 | -91 | -44.2 | 0 | 0 | 0 | 113.3 | M58 G66 R278 | M58-D62 PolarHBondContact O-N 2.99Å; D62-G66 PolarHBondContact O-N 3.39Å; D62-G66 VanDerWaalsContact O-N 3.12Å; D62-R278 IonicContact OD1-CZ 3.8Å; D62-R278 IonicContact OD1-NE 3.87Å; D62-R278 PolarHBondContact OD1-NE 3.45Å; D62-R278 IonicContact OD1-NH2 3.38Å; D62-R278 PolarHBondContact OD1-NH2 2.77Å |
| 63 | N | 47.3 | Very low | 46.2 | Very low | 94 Ų | 94 | 93.4 Ų | 93.4 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 177.2 | -132.6 | 64.3 | 0 | 0 | 0 | 110.9 | K59 I60 D65 G66 E67 | K59-N63 PolarHBondContact O-N 3.04Å; I60-N63 PolarHBondContact O-N 3.23Å; N63-D65 PolarHBondContact O-N 2.99Å; N63-G66 PolarHBondContact O-N 3.44Å; N63-E67 PolarHBondContact ND2-OE2 2.81Å; N63-E67 WeakPolarHBondContact O-CB 3.41Å; N63-E67 WeakPolarHBondContact O-CG 3.22Å; N63-E67 PolarHBondContact O-N 2.94Å |
| 64 | V | 52.9 | Low | 46.4 | Very low | 94 Ų | 94 | 95.8 Ų | 95.8 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | -179.4 | 170.5 | 0 | 0 | 0 | 0 | 112.3 | I60 G68 | I60-V64 WeakPolarHBondContact O-CG2 3.43Å; I60-V64 PolarHBondContact O-N 3.5Å; V64-G68 PolarHBondContact O-N 3.11Å |
| 65 | D | 50.8 | Low | 46.4 | Very low | 61 Ų | 61 | 100.5 Ų | 100.5 | 33% | 0.326 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 176.5 | -97.1 | 6.3 | 0 | 0 | 0 | 112.9 | T61 N63 G68 L69 R217 R278 | T61-D65 PolarHBondContact O-N 3.42Å; N63-D65 PolarHBondContact O-N 2.99Å; D65-G68 PolarHBondContact O-N 3.41Å; D65-L69 PolarHBondContact O-N 3.32Å; D65-R217 IonicContact OD2-NH1 2.83Å; D65-R217 PolarHBondContact OD2-NH1 3.48Å; D65-R278 IonicContact OD2-CZ 3.1Å; D65-R278 VanDerWaalsContact OD2-CZ 3.29Å; D65-R278 IonicContact OD2-NH1 3.57Å; D65-R278 PolarHBondContact OD2-NH1 3.47Å; D65-R278 IonicContact OD2-NH2 3.18Å; D65-R278 PolarHBondContact OD2-NH2 3.06Å |
| 66 | G | 49.4 | Very low | 46.8 | Very low | 18 Ų | 18 | 95.6 Ų | 95.6 | 19% | 0.186 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D62 N63 L69 L70 | D62-G66 PolarHBondContact O-N 3.39Å; D62-G66 VanDerWaalsContact O-N 3.12Å; N63-G66 PolarHBondContact O-N 3.44Å; G66-L69 PolarHBondContact O-N 2.66Å; G66-L70 WeakPolarHBondContact O-CG 3.41Å; G66-L70 PolarHBondContact O-N 3.04Å |
| 67 | E | 51.7 | Low | 47.3 | Very low | 111 Ų | 111 | 96.6 Ų | 96.6 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 171.4 | -71.5 | -174.6 | 94 | 0 | 0 | 110.8 | N63 L69 L70 E71 | N63-E67 PolarHBondContact ND2-OE2 2.81Å; N63-E67 WeakPolarHBondContact O-CB 3.41Å; N63-E67 WeakPolarHBondContact O-CG 3.22Å; N63-E67 PolarHBondContact O-N 2.94Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 3.07Å; E67-L70 PolarHBondContact O-N 3.4Å; E67-L70 VanDerWaalsContact O-N 3.17Å; E67-E71 VanDerWaalsContact O-CB 3.22Å; E67-E71 WeakPolarHBondContact O-CB 3.41Å; E67-E71 PolarHBondContact O-N 3.45Å |
| 68 | G | 52.6 | Low | 48.1 | Very low | 37 Ų | 37 | 94.5 Ų | 94.5 | 38% | 0.381 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V64 D65 S72 | V64-G68 PolarHBondContact O-N 3.11Å; D65-G68 PolarHBondContact O-N 3.41Å; G68-S72 VanDerWaalsContact O-CB 3.31Å; G68-S72 WeakPolarHBondContact O-CB 3.25Å; G68-S72 PolarHBondContact O-N 2.72Å |
| 69 | L | 52.4 | Low | 48.7 | Very low | 32 Ų | 32 | 94.8 Ų | 94.8 | 17% | 0.168 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -74.2 | -37.1 | 174.2 | -82.4 | 167.5 | 0 | 0 | 0 | 112.9 | D65 G66 E67 S73 Y152 | D65-L69 PolarHBondContact O-N 3.32Å; G66-L69 PolarHBondContact O-N 2.66Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-L69 PolarHBondContact O-N 3.07Å; L69-S73 PolarHBondContact O-N 2.91Å; L69-Y152 HydrophobicContact CD1-CE1 3.8Å |
| 70 | L | 49.3 | Very low | 50 | Low | 115 Ų | 115 | 92.1 Ų | 92.1 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -75.6 | -43.7 | 178.4 | -70.8 | 173.5 | 0 | 0 | 0 | 112.4 | G66 E67 S72 S73 M74 | G66-L70 WeakPolarHBondContact O-CG 3.41Å; G66-L70 PolarHBondContact O-N 3.04Å; E67-L70 PolarHBondContact O-N 3.4Å; E67-L70 VanDerWaalsContact O-N 3.17Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 3.05Å; L70-S73 CarbonylContact O-C 3.56Å; L70-S73 WeakPolarHBondContact O-CA 3.31Å; L70-S73 VanDerWaalsContact O-CB 3.26Å; L70-S73 WeakPolarHBondContact O-CB 3.27Å; L70-S73 PolarHBondContact O-N 3.31Å; L70-M74 PolarHBondContact O-N 2.98Å; L70-M74 VanDerWaalsContact O-N 3.17Å |
| 71 | E | 43.5 | Very low | 50.9 | Low | 94 Ų | 94 | 88.6 Ų | 88.6 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 177.2 | -166.8 | -169.8 | 157.4 | 0 | 0 | 110.8 | E67 S73 M74 R75 | E67-E71 VanDerWaalsContact O-CB 3.22Å; E67-E71 WeakPolarHBondContact O-CB 3.41Å; E67-E71 PolarHBondContact O-N 3.45Å; E71-S73 VanDerWaalsContact C-N 3.26Å; E71-S73 PolarHBondContact O-N 3.27Å; E71-M74 CarbonylContact O-C 3.58Å; E71-M74 WeakPolarHBondContact O-CA 3.27Å; E71-M74 PolarHBondContact O-N 3.31Å; E71-R75 WeakPolarHBondContact O-CB 3.43Å; E71-R75 PolarHBondContact O-N 2.91Å; E71-R75 IonicContact OE1-CZ 3.85Å; E71-R75 IonicContact OE1-NE 2.99Å; E71-R75 PolarHBondContact OE1-NE 3.42Å; E71-R75 IonicContact OE1-NH2 3.91Å |
| 72 | S | 50.3 | Low | 51.8 | Low | 22 Ų | 22 | 88.7 Ų | 88.7 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61 | -35.9 | 172.2 | -172.6 | 0 | 0 | 0 | 0 | 112.5 | G68 L70 M74 R75 T215 | G68-S72 VanDerWaalsContact O-CB 3.31Å; G68-S72 WeakPolarHBondContact O-CB 3.25Å; G68-S72 PolarHBondContact O-N 2.72Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 3.05Å; S72-M74 PolarHBondContact O-N 3.17Å; S72-R75 PolarHBondContact O-N 3.44Å; S72-T215 WeakPolarHBondContact CB-OG1 3.47Å; S72-T215 WeakPolarHBondContact OG-CG2 3.43Å; S72-T215 PolarHBondContact OG-OG1 2.98Å |
| 73 | S | 47.6 | Very low | 52.9 | Low | 95 Ų | 95 | 89.1 Ų | 89.1 | 66% | 0.664 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.5 | -17.5 | 172.4 | -156.7 | 0 | 0 | 0 | 0 | 113.5 | L69 L70 E71 | L69-S73 PolarHBondContact O-N 2.91Å; L70-S73 CarbonylContact O-C 3.56Å; L70-S73 WeakPolarHBondContact O-CA 3.31Å; L70-S73 VanDerWaalsContact O-CB 3.26Å; L70-S73 WeakPolarHBondContact O-CB 3.27Å; L70-S73 PolarHBondContact O-N 3.31Å; E71-S73 VanDerWaalsContact C-N 3.26Å; E71-S73 PolarHBondContact O-N 3.27Å |
| 74 | M | 45.2 | Very low | 54 | Low | 158 Ų | 158 | 87.9 Ų | 87.9 | 78% | 0.778 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -99.5 | -22.3 | 174.4 | -61.2 | -157.6 | -60.2 | 0 | 0 | 114.1 | L70 E71 S72 | L70-M74 PolarHBondContact O-N 2.98Å; L70-M74 VanDerWaalsContact O-N 3.17Å; E71-M74 CarbonylContact O-C 3.58Å; E71-M74 WeakPolarHBondContact O-CA 3.27Å; E71-M74 PolarHBondContact O-N 3.31Å; S72-M74 PolarHBondContact O-N 3.17Å |
| 75 | R | 45.5 | Very low | 54.9 | Low | 199 Ų | 199 | 86.6 Ų | 86.6 | 75% | 0.751 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -86.4 | -17.5 | -171.5 | -105.3 | -170.2 | -178.2 | -119.9 | -2 | 116.1 | E71 S72 | E71-R75 WeakPolarHBondContact O-CB 3.43Å; E71-R75 PolarHBondContact O-N 2.91Å; E71-R75 IonicContact OE1-CZ 3.85Å; E71-R75 IonicContact OE1-NE 2.99Å; E71-R75 PolarHBondContact OE1-NE 3.42Å; E71-R75 IonicContact OE1-NH2 3.91Å; S72-R75 PolarHBondContact O-N 3.44Å |
| 76 | L | 47.9 | Very low | 56.2 | Low | 44 Ų | 44 | 90 Ų | 90 | 23% | 0.23 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -93.9 | 131.5 | 171 | -82.2 | 82.8 | 0 | 0 | 0 | 110.4 | A81 Y84 | L76-A81 HydrophobicContact CB-CB 3.98Å; L76-A81 HydrophobicContact CD2-CB 4.23Å; L76-Y84 HydrophobicContact CD2-CD2 3.84Å; L76-Y84 HydrophobicContact CD2-CE2 4.3Å |
| 77 | K | 51.5 | Low | 57.8 | Low | 152 Ų | 152 | 94.8 Ų | 94.8 | 66% | 0.661 | 47% | 0.47 | S | S | * | . | trans | -50.9 | 136 | 165.9 | -82.1 | 177.5 | 175.8 | 173.4 | 0 | 108.8 | H79 E80 A81 | K77-H79 PolarHBondContact O-N 3.39Å; K77-E80 HydrophobicContact CB-CG 4.42Å; K77-E80 PolarHBondContact O-N 2.91Å; K77-A81 PolarHBondContact O-N 3.26Å | ||
| 78 | P | 55.8 | Low | 58.9 | Low | 111 Ų | 111 | 89.5 Ų | 89.5 | 72% | 0.721 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56.9 | -28.6 | -172.1 | 17.5 | -30.6 | 0 | 0 | 0 | 113.5 | Q82 | P78-Q82 VanDerWaalsContact O-CG 3.25Å; P78-Q82 WeakPolarHBondContact O-CG 3.4Å; P78-Q82 PolarHBondContact O-N 2.92Å |
| 79 | H | 54.8 | Low | 60.2 | Low | 141 Ų | 141 | 90 Ų | 90 | 65% | 0.653 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -70.6 | -35.8 | 174.4 | -168.5 | -97.9 | 0 | 0 | 0 | 114.1 | K77 N83 | K77-H79 PolarHBondContact O-N 3.39Å; H79-N83 PolarHBondContact O-N 3.47Å |
| 80 | E | 62 | Low | 61.9 | Low | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.8 | -41.6 | 179.5 | -68.1 | -175 | -178.1 | 0 | 0 | 111.7 | K77 Q82 N83 Y84 | K77-E80 HydrophobicContact CB-CG 4.42Å; K77-E80 PolarHBondContact O-N 2.91Å; E80-Q82 PolarHBondContact O-N 2.88Å; E80-N83 PolarHBondContact O-N 3.48Å; E80-Y84 VanDerWaalsContact O-CD2 3.28Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; E80-Y84 PolarHBondContact O-N 3.33Å |
| 81 | A | 61.3 | Low | 63.5 | Low | 29 Ų | 29 | 92.5 Ų | 92.5 | 24% | 0.24 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -55.7 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L76 K77 Y84 R85 | L76-A81 HydrophobicContact CB-CB 3.98Å; L76-A81 HydrophobicContact CD2-CB 4.23Å; K77-A81 PolarHBondContact O-N 3.26Å; A81-Y84 PolarHBondContact O-N 3.37Å; A81-R85 WeakPolarHBondContact O-CB 3.14Å; A81-R85 VanDerWaalsContact O-CG 3.31Å; A81-R85 WeakPolarHBondContact O-CG 3.26Å; A81-R85 PolarHBondContact O-N 2.92Å |
| 82 | Q | 65.7 | Low | 65.5 | Low | 89 Ų | 89 | 88 Ų | 88 | 42% | 0.416 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 175.8 | -68.8 | -68.3 | -21.1 | 0 | 0 | 112.6 | P78 E80 R85 K86 | P78-Q82 VanDerWaalsContact O-CG 3.25Å; P78-Q82 WeakPolarHBondContact O-CG 3.4Å; P78-Q82 PolarHBondContact O-N 2.92Å; E80-Q82 PolarHBondContact O-N 2.88Å; Q82-R85 PolarHBondContact O-N 3.03Å; Q82-K86 WeakPolarHBondContact O-CG 3.31Å; Q82-K86 PolarHBondContact O-N 3.45Å |
| 83 | N | 72.7 | Confident | 67.4 | Low | 77 Ų | 77 | 94.7 Ų | 94.7 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 176.6 | -86 | -8.5 | 0 | 0 | 0 | 112.8 | H79 E80 K86 K87 | H79-N83 PolarHBondContact O-N 3.47Å; E80-N83 PolarHBondContact O-N 3.48Å; N83-K86 PolarHBondContact O-N 2.98Å; N83-K87 WeakPolarHBondContact O-CG 3.43Å; N83-K87 PolarHBondContact O-N 2.91Å |
| 84 | Y | 71.7 | Confident | 69.3 | Low | 69 Ų | 69 | 92.4 Ų | 92.4 | 27% | 0.271 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.9 | -36.3 | 172.8 | -73.8 | -74.2 | 0 | 0 | 0 | 112.4 | L76 E80 A81 K87 A88 K213 | L76-Y84 HydrophobicContact CD2-CD2 3.84Å; L76-Y84 HydrophobicContact CD2-CE2 4.3Å; E80-Y84 VanDerWaalsContact O-CD2 3.28Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; E80-Y84 PolarHBondContact O-N 3.33Å; A81-Y84 PolarHBondContact O-N 3.37Å; Y84-K87 HydrophobicContact CD1-CD 4.45Å; Y84-K87 PolarHBondContact O-N 3.39Å; Y84-A88 PolarHBondContact O-N 3.39Å; Y84-K213 HydrophobicContact CE1-CB 4.46Å |
| 85 | R | 72.1 | Confident | 71.4 | Confident | 66 Ų | 66 | 84.9 Ų | 84.9 | 25% | 0.249 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 171.1 | -74.8 | 175 | 71.1 | 172.6 | 6.3 | 112.1 | A81 Q82 K87 A88 L89 Y139 | A81-R85 WeakPolarHBondContact O-CB 3.14Å; A81-R85 VanDerWaalsContact O-CG 3.31Å; A81-R85 WeakPolarHBondContact O-CG 3.26Å; A81-R85 PolarHBondContact O-N 2.92Å; Q82-R85 PolarHBondContact O-N 3.03Å; R85-K87 PolarHBondContact O-N 3.46Å; R85-A88 PolarHBondContact O-N 2.84Å; R85-L89 WeakPolarHBondContact O-CB 3.36Å; R85-L89 WeakPolarHBondContact O-CG 3.35Å; R85-L89 PolarHBondContact O-N 2.96Å; R85-Y139 HydrophobicContact CG-CD1 4.21Å; R85-Y139 HydrophobicContact CG-CE1 4.32Å |
| 86 | K | 78.1 | Confident | 73.6 | Confident | 134 Ų | 134 | 76.8 Ų | 76.8 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 173.6 | -72.3 | 174.3 | -177.8 | 177.5 | 0 | 112.1 | Q82 N83 L89 W90 | Q82-K86 WeakPolarHBondContact O-CG 3.31Å; Q82-K86 PolarHBondContact O-N 3.45Å; N83-K86 PolarHBondContact O-N 2.98Å; K86-L89 PolarHBondContact O-N 3Å; K86-W90 WeakPolarHBondContact O-CB 3.38Å; K86-W90 PolarHBondContact O-N 3.07Å |
| 87 | K | 81.1 | Confident | 75.7 | Confident | 118 Ų | 118 | 77.5 Ų | 77.5 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.5 | -72 | 177.9 | 178.3 | -175.6 | 0 | 112.6 | N83 Y84 R85 W90 V91 L210 | N83-K87 WeakPolarHBondContact O-CG 3.43Å; N83-K87 PolarHBondContact O-N 2.91Å; Y84-K87 HydrophobicContact CD1-CD 4.45Å; Y84-K87 PolarHBondContact O-N 3.39Å; R85-K87 PolarHBondContact O-N 3.46Å; K87-W90 PolarHBondContact O-N 3.24Å; K87-V91 WeakPolarHBondContact O-CG2 3.47Å; K87-V91 PolarHBondContact O-N 2.83Å; K87-L210 HydrophobicContact CB-CD2 3.87Å |
| 88 | A | 75.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y84 R85 W90 V91 S92 Y139 L214 L219 | Y84-A88 PolarHBondContact O-N 3.39Å; R85-A88 PolarHBondContact O-N 2.84Å; A88-W90 VanDerWaalsContact C-N 3.31Å; A88-W90 PolarHBondContact O-N 3.33Å; A88-V91 PolarHBondContact O-N 3.24Å; A88-S92 WeakPolarHBondContact O-CB 3.48Å; A88-S92 PolarHBondContact O-N 3.31Å; A88-S92 PolarHBondContact O-OG 2.77Å; A88-Y139 HydrophobicContact CB-CE2 4.46Å; A88-L214 HydrophobicContact CB-CD1 3.52Å; A88-L219 HydrophobicContact CB-CD2 4.04Å |
| 89 | L | 80.8 | Confident | 79.1 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.6 | -45.1 | 173.4 | -78.6 | 168.9 | 0 | 0 | 0 | 112 | R85 K86 W93 L136 | R85-L89 WeakPolarHBondContact O-CB 3.36Å; R85-L89 WeakPolarHBondContact O-CG 3.35Å; R85-L89 PolarHBondContact O-N 2.96Å; K86-L89 PolarHBondContact O-N 3Å; L89-W93 WeakPolarHBondContact O-CB 3.5Å; L89-W93 PolarHBondContact O-N 3.41Å; L89-L136 HydrophobicContact CD2-CG 4.12Å |
| 90 | W | 86.7 | Confident | 80.9 | Confident | 177 Ų | 177 | 64.5 Ų | 64.5 | 67% | 0.67 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 178.9 | -167.5 | 82.6 | 0 | 0 | 0 | 112.1 | K86 K87 A88 W93 V94 | K86-W90 WeakPolarHBondContact O-CB 3.38Å; K86-W90 PolarHBondContact O-N 3.07Å; K87-W90 PolarHBondContact O-N 3.24Å; A88-W90 VanDerWaalsContact C-N 3.31Å; A88-W90 PolarHBondContact O-N 3.33Å; W90-W93 PolarHBondContact O-N 3.18Å; W90-V94 HydrophobicContact CD2-CG2 4.03Å; W90-V94 HydrophobicContact CE3-CG2 4.05Å; W90-V94 HydrophobicContact CH2-CG2 4.01Å; W90-V94 HydrophobicContact CZ2-CG2 3.97Å; W90-V94 HydrophobicContact CZ3-CG2 4.04Å; W90-V94 WeakPolarHBondContact O-CB 3.5Å; W90-V94 VanDerWaalsContact O-CG2 3.32Å; W90-V94 WeakPolarHBondContact O-CG2 3.48Å; W90-V94 PolarHBondContact O-N 3.29Å |
| 91 | V | 84.4 | Confident | 82.3 | Confident | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 176.8 | 168.1 | 0 | 0 | 0 | 0 | 112.2 | K87 A88 W93 V94 S95 A206 K207 L210 | K87-V91 WeakPolarHBondContact O-CG2 3.47Å; K87-V91 PolarHBondContact O-N 2.83Å; A88-V91 PolarHBondContact O-N 3.24Å; V91-W93 VanDerWaalsContact C-N 3.33Å; V91-W93 PolarHBondContact O-N 3.12Å; V91-V94 PolarHBondContact O-N 3.29Å; V91-S95 WeakPolarHBondContact O-CB 3.37Å; V91-S95 PolarHBondContact O-N 3.44Å; V91-A206 HydrophobicContact CG1-CB 4.08Å; V91-K207 HydrophobicContact CG1-CG 4.37Å; V91-L210 HydrophobicContact CB-CD1 3.63Å; V91-L210 HydrophobicContact CG1-CD1 3.88Å; V91-L210 HydrophobicContact CG2-CD1 3.57Å |
| 92 | S | 84.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 173.2 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | A88 S95 I96 | A88-S92 WeakPolarHBondContact O-CB 3.48Å; A88-S92 PolarHBondContact O-N 3.31Å; A88-S92 PolarHBondContact O-OG 2.77Å; S92-S95 WeakPolarHBondContact O-CB 3.47Å; S92-S95 PolarHBondContact O-N 3.15Å; S92-I96 WeakPolarHBondContact O-CD1 3.41Å; S92-I96 VanDerWaalsContact O-CG1 3.24Å; S92-I96 WeakPolarHBondContact O-CG1 3.36Å; S92-I96 PolarHBondContact O-N 3.28Å |
| 93 | W | 89.2 | Confident | 84.7 | Confident | 162 Ų | 162 | 60.2 Ų | 60.2 | 61% | 0.614 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68.7 | -42.7 | 177.3 | -155.3 | 80.5 | 0 | 0 | 0 | 112.3 | L89 W90 V91 S95 I96 V97 L136 | L89-W93 WeakPolarHBondContact O-CB 3.5Å; L89-W93 PolarHBondContact O-N 3.41Å; W90-W93 PolarHBondContact O-N 3.18Å; V91-W93 VanDerWaalsContact C-N 3.33Å; V91-W93 PolarHBondContact O-N 3.12Å; W93-S95 VanDerWaalsContact C-N 3.34Å; W93-S95 PolarHBondContact O-N 3.27Å; W93-I96 PolarHBondContact O-N 3.49Å; W93-V97 HydrophobicContact CD2-CG2 4.44Å; W93-V97 HydrophobicContact CE3-CG2 4.06Å; W93-V97 HydrophobicContact CH2-CG2 4.39Å; W93-V97 HydrophobicContact CZ3-CG2 4.03Å; W93-V97 WeakPolarHBondContact O-CG2 3.38Å; W93-V97 PolarHBondContact O-N 2.88Å; W93-L136 HydrophobicContact CB-CD1 4.14Å; W93-L136 HydrophobicContact CG-CD1 4.36Å |
| 94 | V | 89.1 | Confident | 85.6 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 171.8 | 169.9 | 0 | 0 | 0 | 0 | 111 | W90 V91 V97 V98 | W90-V94 HydrophobicContact CD2-CG2 4.03Å; W90-V94 HydrophobicContact CE3-CG2 4.05Å; W90-V94 HydrophobicContact CH2-CG2 4.01Å; W90-V94 HydrophobicContact CZ2-CG2 3.97Å; W90-V94 HydrophobicContact CZ3-CG2 4.04Å; W90-V94 WeakPolarHBondContact O-CB 3.5Å; W90-V94 VanDerWaalsContact O-CG2 3.32Å; W90-V94 WeakPolarHBondContact O-CG2 3.48Å; W90-V94 PolarHBondContact O-N 3.29Å; V91-V94 PolarHBondContact O-N 3.29Å; V94-V97 PolarHBondContact O-N 2.82Å; V94-V98 HydrophobicContact CG1-CG2 4.33Å; V94-V98 WeakPolarHBondContact O-CG2 3.5Å; V94-V98 PolarHBondContact O-N 2.91Å |
| 95 | S | 89.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.9 | -51.6 | 175.2 | -161.2 | 0 | 0 | 0 | 0 | 111 | V91 S92 W93 V97 V98 T99 D128 S132 K207 | V91-S95 WeakPolarHBondContact O-CB 3.37Å; V91-S95 PolarHBondContact O-N 3.44Å; S92-S95 WeakPolarHBondContact O-CB 3.47Å; S92-S95 PolarHBondContact O-N 3.15Å; W93-S95 VanDerWaalsContact C-N 3.34Å; W93-S95 PolarHBondContact O-N 3.27Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 3.39Å; S95-V98 PolarHBondContact O-N 2.83Å; S95-T99 PolarHBondContact O-N 3.21Å; S95-T99 PolarHBondContact O-OG1 2.88Å; S95-D128 PolarHBondContact OG-OD2 3.45Å; S95-S132 PolarHBondContact OG-OG 3.31Å; S95-K207 WeakPolarHBondContact OG-CE 3.45Å; S95-K207 PolarHBondContact OG-NZ 3.45Å |
| 96 | I | 90.8 | Very high | 86.9 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.7 | -47.5 | 177.4 | -70.6 | 162 | 0 | 0 | 0 | 110.8 | S92 W93 L100 V129 S132 A133 L136 | S92-I96 WeakPolarHBondContact O-CD1 3.41Å; S92-I96 VanDerWaalsContact O-CG1 3.24Å; S92-I96 WeakPolarHBondContact O-CG1 3.36Å; S92-I96 PolarHBondContact O-N 3.28Å; W93-I96 PolarHBondContact O-N 3.49Å; I96-L100 WeakPolarHBondContact O-CB 3.13Å; I96-L100 PolarHBondContact O-N 2.85Å; I96-V129 HydrophobicContact CG2-CG1 4.44Å; I96-S132 VanDerWaalsContact CG1-CB 3.49Å; I96-A133 HydrophobicContact CD1-CB 4.36Å; I96-L136 HydrophobicContact CD1-CB 4.22Å; I96-L136 HydrophobicContact CD1-CD1 3.91Å |
| 97 | V | 92.3 | Very high | 87.3 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | -179.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | W93 V94 S95 I101 | W93-V97 HydrophobicContact CD2-CG2 4.44Å; W93-V97 HydrophobicContact CE3-CG2 4.06Å; W93-V97 HydrophobicContact CH2-CG2 4.39Å; W93-V97 HydrophobicContact CZ3-CG2 4.03Å; W93-V97 WeakPolarHBondContact O-CG2 3.38Å; W93-V97 PolarHBondContact O-N 2.88Å; V94-V97 PolarHBondContact O-N 2.82Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 3.39Å; V97-I101 HydrophobicContact CG1-CD1 3.93Å; V97-I101 WeakPolarHBondContact O-CD1 3.32Å; V97-I101 VanDerWaalsContact O-CG1 3.24Å; V97-I101 WeakPolarHBondContact O-CG1 3.37Å; V97-I101 PolarHBondContact O-N 3.48Å; V97-I101 VanDerWaalsContact O-N 3.09Å |
| 98 | V | 90.3 | Very high | 87.6 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -49.4 | -179.3 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | V94 S95 I101 L102 L203 | V94-V98 HydrophobicContact CG1-CG2 4.33Å; V94-V98 WeakPolarHBondContact O-CG2 3.5Å; V94-V98 PolarHBondContact O-N 2.91Å; S95-V98 PolarHBondContact O-N 2.83Å; V98-I101 PolarHBondContact O-N 3.05Å; V98-L102 HydrophobicContact CG1-CD1 4.23Å; V98-L102 WeakPolarHBondContact O-CG 3.46Å; V98-L102 PolarHBondContact O-N 3.38Å; V98-L102 VanDerWaalsContact O-N 3.12Å; V98-L203 HydrophobicContact CB-CD1 4.29Å; V98-L203 HydrophobicContact CG1-CD1 4.06Å |
| 99 | T | 89.1 | Confident | 87.8 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.9 | -24.5 | -177.4 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | S95 L102 A103 D128 V129 L203 | S95-T99 PolarHBondContact O-N 3.21Å; S95-T99 PolarHBondContact O-OG1 2.88Å; T99-L102 PolarHBondContact O-N 2.81Å; T99-A103 VanDerWaalsContact O-CB 3.3Å; T99-A103 WeakPolarHBondContact O-CB 3.31Å; T99-A103 PolarHBondContact O-N 3.37Å; T99-D128 HydrophobicContact CG2-CB 4.08Å; T99-D128 WeakPolarHBondContact CG2-OD2 3.27Å; T99-D128 PolarHBondContact OG1-OD2 3.07Å; T99-V129 VanDerWaalsContact OG1-CG2 3.31Å; T99-V129 WeakPolarHBondContact OG1-CG2 3.41Å; T99-L203 HydrophobicContact CG2-CD1 4.17Å |
| 100 | L | 92.3 | Very high | 87.9 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 45% | 0.445 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 168.7 | -177.9 | 65 | 0 | 0 | 0 | 112.1 | I96 L102 A103 V104 V129 | I96-L100 WeakPolarHBondContact O-CB 3.13Å; I96-L100 PolarHBondContact O-N 2.85Å; L100-L102 VanDerWaalsContact C-N 3.32Å; L100-L102 PolarHBondContact O-N 3.47Å; L100-A103 PolarHBondContact O-N 3.46Å; L100-V104 HydrophobicContact CD1-CG2 4.33Å; L100-V104 WeakPolarHBondContact O-CG2 3.3Å; L100-V104 PolarHBondContact O-N 3.01Å; L100-V129 HydrophobicContact CB-CG2 4Å; L100-V129 VanDerWaalsContact N-CG2 3.34Å |
| 101 | I | 91.4 | Very high | 87.8 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 56% | 0.559 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 174.8 | -70.2 | 163.9 | 0 | 0 | 0 | 110.2 | V97 V98 V104 A105 | V97-I101 HydrophobicContact CG1-CD1 3.93Å; V97-I101 WeakPolarHBondContact O-CD1 3.32Å; V97-I101 VanDerWaalsContact O-CG1 3.24Å; V97-I101 WeakPolarHBondContact O-CG1 3.37Å; V97-I101 PolarHBondContact O-N 3.48Å; V97-I101 VanDerWaalsContact O-N 3.09Å; V98-I101 PolarHBondContact O-N 3.05Å; I101-V104 PolarHBondContact O-N 3.08Å; I101-A105 WeakPolarHBondContact O-CB 3.1Å; I101-A105 PolarHBondContact O-N 3.4Å |
| 102 | L | 88.1 | Confident | 87.6 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.6 | -69.3 | 168.9 | 0 | 0 | 0 | 112.1 | V98 T99 L100 A105 A106 A125 V195 | V98-L102 HydrophobicContact CG1-CD1 4.23Å; V98-L102 WeakPolarHBondContact O-CG 3.46Å; V98-L102 PolarHBondContact O-N 3.38Å; V98-L102 VanDerWaalsContact O-N 3.12Å; T99-L102 PolarHBondContact O-N 2.81Å; L100-L102 VanDerWaalsContact C-N 3.32Å; L100-L102 PolarHBondContact O-N 3.47Å; L102-A105 PolarHBondContact O-N 3.43Å; L102-A106 VanDerWaalsContact O-CB 3.3Å; L102-A106 WeakPolarHBondContact O-CB 3.48Å; L102-A106 PolarHBondContact O-N 3.45Å; L102-A125 HydrophobicContact CB-CB 4.47Å; L102-V195 HydrophobicContact CD2-CG1 4.31Å |
| 103 | A | 89.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T99 L100 A106 F107 A125 | T99-A103 VanDerWaalsContact O-CB 3.3Å; T99-A103 WeakPolarHBondContact O-CB 3.31Å; T99-A103 PolarHBondContact O-N 3.37Å; L100-A103 PolarHBondContact O-N 3.46Å; A103-A106 PolarHBondContact O-N 3.27Å; A103-F107 WeakPolarHBondContact O-CB 3.33Å; A103-F107 VanDerWaalsContact O-CD2 3.31Å; A103-F107 WeakPolarHBondContact O-CD2 3.4Å; A103-F107 PolarHBondContact O-N 2.8Å; A103-A125 HydrophobicContact CB-CB 3.73Å |
| 104 | V | 90.3 | Very high | 86.5 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L100 I101 A106 T108 | L100-V104 HydrophobicContact CD1-CG2 4.33Å; L100-V104 WeakPolarHBondContact O-CG2 3.3Å; L100-V104 PolarHBondContact O-N 3.01Å; I101-V104 PolarHBondContact O-N 3.08Å; V104-A106 PolarHBondContact O-N 3.01Å; V104-T108 WeakPolarHBondContact O-CB 3.32Å; V104-T108 PolarHBondContact O-N 3.46Å; V104-T108 PolarHBondContact O-OG1 3.46Å |
| 105 | A | 87.3 | Confident | 85.6 | Confident | 36 Ų | 36 | 60 Ų | 60 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | I101 L102 T108 V109 | I101-A105 WeakPolarHBondContact O-CB 3.1Å; I101-A105 PolarHBondContact O-N 3.4Å; L102-A105 PolarHBondContact O-N 3.43Å; A105-T108 PolarHBondContact O-N 3.2Å; A105-V109 PolarHBondContact O-N 3.05Å |
| 106 | A | 84.4 | Confident | 84.8 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L102 A103 V104 T108 V109 S110 F121 A122 | L102-A106 VanDerWaalsContact O-CB 3.3Å; L102-A106 WeakPolarHBondContact O-CB 3.48Å; L102-A106 PolarHBondContact O-N 3.45Å; A103-A106 PolarHBondContact O-N 3.27Å; V104-A106 PolarHBondContact O-N 3.01Å; A106-T108 VanDerWaalsContact C-N 3.34Å; A106-T108 PolarHBondContact O-N 3.29Å; A106-V109 PolarHBondContact O-N 3.45Å; A106-S110 WeakPolarHBondContact O-CB 3.41Å; A106-S110 PolarHBondContact O-N 3.35Å; A106-F121 HydrophobicContact CB-CD1 3.47Å; A106-F121 VanDerWaalsContact CB-CD1 3.47Å; A106-F121 HydrophobicContact CB-CE1 3.97Å; A106-A122 HydrophobicContact CB-CB 3.67Å |
| 107 | F | 87.1 | Confident | 83.9 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 28% | 0.281 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 172.7 | -91.6 | -61.6 | 0 | 0 | 0 | 111.4 | A103 V109 S110 F111 F119 A122 T126 | A103-F107 WeakPolarHBondContact O-CB 3.33Å; A103-F107 VanDerWaalsContact O-CD2 3.31Å; A103-F107 WeakPolarHBondContact O-CD2 3.4Å; A103-F107 PolarHBondContact O-N 2.8Å; F107-V109 VanDerWaalsContact C-N 3.31Å; F107-V109 PolarHBondContact O-N 3.46Å; F107-S110 PolarHBondContact O-N 3.49Å; F107-F111 HydrophobicContact CD1-CE2 4.2Å; F107-F111 VanDerWaalsContact O-CD2 3.25Å; F107-F111 WeakPolarHBondContact O-CD2 3.25Å; F107-F111 PolarHBondContact O-N 3.48Å; F107-F119 HydrophobicContact CE1-CD2 4.17Å; F107-F119 AromaticContact CE1-CE2 3.95Å; F107-F119 HydrophobicContact CE1-CE2 3.95Å; F107-A122 HydrophobicContact CB-CB 4.43Å; F107-A122 HydrophobicContact CD1-CB 3.97Å; F107-A122 HydrophobicContact CD2-CB 3.81Å; F107-A122 HydrophobicContact CE1-CB 4.12Å; F107-A122 HydrophobicContact CE2-CB 3.97Å; F107-A122 HydrophobicContact CG-CB 3.79Å; F107-A122 HydrophobicContact CZ-CB 4.11Å; F107-T126 WeakPolarHBondContact CE2-OG1 3.38Å |
| 108 | T | 86.8 | Confident | 83.3 | Confident | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.442 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | V104 A105 A106 F111 M112 | V104-T108 WeakPolarHBondContact O-CB 3.32Å; V104-T108 PolarHBondContact O-N 3.46Å; V104-T108 PolarHBondContact O-OG1 3.46Å; A105-T108 PolarHBondContact O-N 3.2Å; A106-T108 VanDerWaalsContact C-N 3.34Å; A106-T108 PolarHBondContact O-N 3.29Å; T108-F111 PolarHBondContact O-N 3.36Å; T108-M112 HydrophobicContact CG2-SD 4.12Å; T108-M112 VanDerWaalsContact O-CG 3.31Å; T108-M112 WeakPolarHBondContact O-CG 3.42Å; T108-M112 PolarHBondContact O-N 3.43Å |
| 109 | V | 81.1 | Confident | 82.8 | Confident | 18 Ų | 18 | 63 Ų | 63 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.1 | -34.2 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | A105 A106 F107 F111 M112 R113 F188 | A105-V109 PolarHBondContact O-N 3.05Å; A106-V109 PolarHBondContact O-N 3.45Å; F107-V109 VanDerWaalsContact C-N 3.31Å; F107-V109 PolarHBondContact O-N 3.46Å; V109-F111 VanDerWaalsContact C-N 3.33Å; V109-F111 PolarHBondContact O-N 2.6Å; V109-M112 PolarHBondContact O-N 3.38Å; V109-R113 HydrophobicContact CG1-CG 4.18Å; V109-R113 PolarHBondContact O-N 2.83Å; V109-F188 HydrophobicContact CB-CD1 4.05Å; V109-F188 HydrophobicContact CB-CE1 3.65Å; V109-F188 HydrophobicContact CB-CZ 4.16Å; V109-F188 HydrophobicContact CG1-CD1 3.75Å; V109-F188 HydrophobicContact CG1-CE1 3.89Å; V109-F188 HydrophobicContact CG1-CG 4.49Å; V109-F188 HydrophobicContact CG2-CD1 3.79Å; V109-F188 HydrophobicContact CG2-CD2 4.25Å; V109-F188 HydrophobicContact CG2-CE1 3.33Å; V109-F188 HydrophobicContact CG2-CE2 3.85Å; V109-F188 HydrophobicContact CG2-CG 4.22Å; V109-F188 HydrophobicContact CG2-CZ 3.36Å |
| 110 | S | 82.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | A106 F107 H114 S115 F119 | A106-S110 WeakPolarHBondContact O-CB 3.41Å; A106-S110 PolarHBondContact O-N 3.35Å; F107-S110 PolarHBondContact O-N 3.49Å; S110-H114 WeakPolarHBondContact O-CA 3.43Å; S110-H114 PolarHBondContact O-N 3.26Å; S110-S115 PolarHBondContact OG-O 3.19Å; S110-F119 WeakPolarHBondContact OG-CA 3.27Å; S110-F119 WeakPolarHBondContact OG-CB 3.27Å; S110-F119 PolarHBondContact OG-N 3.37Å |
| 111 | F | 83.1 | Confident | 81.8 | Confident | 153 Ų | 153 | 61.1 Ų | 61.1 | 67% | 0.671 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.3 | -44.3 | 173.8 | -80.5 | -67.4 | 0 | 0 | 0 | 112.7 | F107 T108 V109 R113 | F107-F111 HydrophobicContact CD1-CE2 4.2Å; F107-F111 VanDerWaalsContact O-CD2 3.25Å; F107-F111 WeakPolarHBondContact O-CD2 3.25Å; F107-F111 PolarHBondContact O-N 3.48Å; T108-F111 PolarHBondContact O-N 3.36Å; V109-F111 VanDerWaalsContact C-N 3.33Å; V109-F111 PolarHBondContact O-N 2.6Å; F111-R113 VanDerWaalsContact C-N 3.34Å; F111-R113 PolarHBondContact O-N 3.38Å |
| 112 | M | 81.8 | Confident | 81.5 | Confident | 149 Ų | 149 | 56 Ų | 56 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.4 | -30.6 | -177.8 | -73.7 | -178.5 | 71.3 | 0 | 0 | 114 | T108 V109 | T108-M112 HydrophobicContact CG2-SD 4.12Å; T108-M112 VanDerWaalsContact O-CG 3.31Å; T108-M112 WeakPolarHBondContact O-CG 3.42Å; T108-M112 PolarHBondContact O-N 3.43Å; V109-M112 PolarHBondContact O-N 3.38Å |
| 113 | R | 76.3 | Confident | 81.4 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -112.8 | 0 | -175.5 | -53.1 | -165 | 80.3 | 163.3 | -11.7 | 114 | V109 F111 S115 D186 | V109-R113 HydrophobicContact CG1-CG 4.18Å; V109-R113 PolarHBondContact O-N 2.83Å; F111-R113 VanDerWaalsContact C-N 3.34Å; F111-R113 PolarHBondContact O-N 3.38Å; R113-S115 PolarHBondContact O-N 3.42Å; R113-D186 IonicContact CZ-OD1 3.2Å; R113-D186 IonicContact CZ-OD2 2.79Å; R113-D186 IonicContact NE-OD2 3.5Å; R113-D186 PolarHBondContact NE-OD2 2.81Å; R113-D186 IonicContact NH1-OD1 3.15Å; R113-D186 PolarHBondContact NH1-OD1 3.25Å; R113-D186 IonicContact NH1-OD2 2.8Å; R113-D186 PolarHBondContact NH1-OD2 3.42Å; R113-D186 IonicContact NH2-OD1 2.92Å; R113-D186 PolarHBondContact NH2-OD1 3.08Å; R113-D186 IonicContact NH2-OD2 2.7Å; R113-D186 PolarHBondContact NH2-OD2 2.88Å |
| 114 | H | 74.6 | Confident | 81.2 | Confident | 173 Ų | 173 | 58.9 Ų | 58.9 | 80% | 0.801 | 31% | 0.306 | S | S | * | . | trans | 50.6 | 22.7 | -172.7 | -65 | -68 | 0 | 0 | 0 | 114.7 | S110 | S110-H114 WeakPolarHBondContact O-CA 3.43Å; S110-H114 PolarHBondContact O-N 3.26Å | ||
| 115 | S | 69.6 | Low | 81.1 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | trans | -81.1 | 126.6 | -174.7 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | S110 R113 S117 A118 F119 E184 | S110-S115 PolarHBondContact OG-O 3.19Å; R113-S115 PolarHBondContact O-N 3.42Å; S115-S117 VanDerWaalsContact C-N 3.25Å; S115-S117 PolarHBondContact O-N 3.09Å; S115-S117 PolarHBondContact OG-N 2.92Å; S115-A118 PolarHBondContact O-N 3.36Å; S115-F119 PolarHBondContact O-N 2.86Å; S115-E184 PolarHBondContact OG-OE2 2.81Å | ||
| 116 | A | 72.2 | Confident | 81.1 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.5 | -27 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F119 G120 | A116-F119 PolarHBondContact O-N 2.79Å; A116-G120 PolarHBondContact O-N 2.92Å |
| 117 | S | 72.9 | Confident | 81.3 | Confident | 26 Ų | 26 | 56.3 Ų | 56.3 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74 | -42.3 | 177.5 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | S115 F119 G120 F121 K172 | S115-S117 VanDerWaalsContact C-N 3.25Å; S115-S117 PolarHBondContact O-N 3.09Å; S115-S117 PolarHBondContact OG-N 2.92Å; S117-F119 VanDerWaalsContact C-N 3.28Å; S117-F119 PolarHBondContact O-N 2.7Å; S117-G120 PolarHBondContact O-N 3.04Å; S117-F121 PolarHBondContact O-N 2.95Å; S117-F121 VanDerWaalsContact O-N 3.11Å; S117-K172 PolarHBondContact OG-NZ 2.9Å |
| 118 | A | 78.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | S115 A122 | S115-A118 PolarHBondContact O-N 3.36Å; A118-A122 WeakPolarHBondContact O-CB 3.21Å; A118-A122 PolarHBondContact O-N 3.03Å |
| 119 | F | 79.8 | Confident | 81.7 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 173.4 | -174.7 | -97.7 | 0 | 0 | 0 | 112.1 | F107 S110 S115 A116 S117 F121 A122 F123 | F107-F119 HydrophobicContact CE1-CD2 4.17Å; F107-F119 AromaticContact CE1-CE2 3.95Å; F107-F119 HydrophobicContact CE1-CE2 3.95Å; S110-F119 WeakPolarHBondContact OG-CA 3.27Å; S110-F119 WeakPolarHBondContact OG-CB 3.27Å; S110-F119 PolarHBondContact OG-N 3.37Å; S115-F119 PolarHBondContact O-N 2.86Å; A116-F119 PolarHBondContact O-N 2.79Å; S117-F119 VanDerWaalsContact C-N 3.28Å; S117-F119 PolarHBondContact O-N 2.7Å; F119-F121 VanDerWaalsContact C-N 3.32Å; F119-F121 PolarHBondContact O-N 3.47Å; F119-A122 PolarHBondContact O-N 3.3Å; F119-F123 WeakPolarHBondContact O-CB 3.29Å; F119-F123 PolarHBondContact O-N 3.22Å |
| 120 | G | 80.2 | Confident | 82.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A116 S117 F123 D124 | A116-G120 PolarHBondContact O-N 2.92Å; S117-G120 PolarHBondContact O-N 3.04Å; G120-F123 PolarHBondContact O-N 2.96Å; G120-D124 PolarHBondContact O-N 3.09Å |
| 121 | F | 80.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -42 | 174.3 | -176.6 | -77.1 | 0 | 0 | 0 | 112.3 | A106 S117 F119 F123 D124 A125 V192 S196 | A106-F121 HydrophobicContact CB-CD1 3.47Å; A106-F121 VanDerWaalsContact CB-CD1 3.47Å; A106-F121 HydrophobicContact CB-CE1 3.97Å; S117-F121 PolarHBondContact O-N 2.95Å; S117-F121 VanDerWaalsContact O-N 3.11Å; F119-F121 VanDerWaalsContact C-N 3.32Å; F119-F121 PolarHBondContact O-N 3.47Å; F121-F123 VanDerWaalsContact C-N 3.26Å; F121-F123 PolarHBondContact O-N 3.43Å; F121-D124 PolarHBondContact O-N 3.31Å; F121-A125 PolarHBondContact O-N 3.36Å; F121-V192 HydrophobicContact CD1-CG1 4.33Å; F121-V192 HydrophobicContact CE1-CG1 3.48Å; F121-V192 VanDerWaalsContact CE1-CG1 3.48Å; F121-V192 HydrophobicContact CE2-CG1 4.16Å; F121-V192 HydrophobicContact CZ-CG1 3.37Å; F121-S196 VanDerWaalsContact CZ-CB 3.45Å; F121-S196 WeakPolarHBondContact CZ-OG 3.3Å |
| 122 | A | 86.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -36 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A106 F107 A118 F119 T126 | A106-A122 HydrophobicContact CB-CB 3.67Å; F107-A122 HydrophobicContact CB-CB 4.43Å; F107-A122 HydrophobicContact CD1-CB 3.97Å; F107-A122 HydrophobicContact CD2-CB 3.81Å; F107-A122 HydrophobicContact CE1-CB 4.12Å; F107-A122 HydrophobicContact CE2-CB 3.97Å; F107-A122 HydrophobicContact CG-CB 3.79Å; F107-A122 HydrophobicContact CZ-CB 4.11Å; A118-A122 WeakPolarHBondContact O-CB 3.21Å; A118-A122 PolarHBondContact O-N 3.03Å; F119-A122 PolarHBondContact O-N 3.3Å; A122-T126 WeakPolarHBondContact O-CB 3.31Å; A122-T126 PolarHBondContact O-N 3.46Å; A122-T126 PolarHBondContact O-OG1 3.39Å |
| 123 | F | 84.6 | Confident | 83.2 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.5 | -45.4 | 174.8 | -173 | -103.8 | 0 | 0 | 0 | 112 | F119 G120 F121 T126 L127 C168 | F119-F123 WeakPolarHBondContact O-CB 3.29Å; F119-F123 PolarHBondContact O-N 3.22Å; G120-F123 PolarHBondContact O-N 2.96Å; F121-F123 VanDerWaalsContact C-N 3.26Å; F121-F123 PolarHBondContact O-N 3.43Å; F123-T126 WeakPolarHBondContact O-CB 3.08Å; F123-T126 PolarHBondContact O-N 3.5Å; F123-L127 HydrophobicContact CD1-CD1 3.65Å; F123-L127 HydrophobicContact CD1-CG 4.37Å; F123-L127 HydrophobicContact CE1-CD1 3.46Å; F123-L127 VanDerWaalsContact CE1-CD1 3.46Å; F123-L127 HydrophobicContact CE1-CD2 4.43Å; F123-L127 HydrophobicContact CE1-CG 4.15Å; F123-L127 HydrophobicContact CZ-CD1 4.18Å; F123-L127 HydrophobicContact CZ-CD2 4.36Å; F123-L127 HydrophobicContact CZ-CG 4.43Å; F123-L127 WeakPolarHBondContact O-CG 3.26Å; F123-L127 PolarHBondContact O-N 3.44Å; F123-C168 HydrophobicContact CD1-CB 4.07Å; F123-C168 HydrophobicContact CE1-CB 3.43Å; F123-C168 VanDerWaalsContact CE1-CB 3.43Å; F123-C168 HydrophobicContact CZ-CB 4.09Å |
| 124 | D | 85.7 | Confident | 83.7 | Confident | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 174.4 | -175.1 | 57.6 | 0 | 0 | 0 | 112.3 | G120 F121 T126 L127 D128 G229 M232 | G120-D124 PolarHBondContact O-N 3.09Å; F121-D124 PolarHBondContact O-N 3.31Å; D124-T126 VanDerWaalsContact C-N 3.27Å; D124-T126 PolarHBondContact O-N 3.07Å; D124-L127 WeakPolarHBondContact O-CB 3.36Å; D124-L127 PolarHBondContact O-N 3.01Å; D124-L127 VanDerWaalsContact O-N 3.07Å; D124-D128 PolarHBondContact O-N 2.99Å; D124-D128 VanDerWaalsContact O-N 3.1Å; D124-G229 WeakPolarHBondContact OD2-CA 3.11Å; D124-M232 HydrophobicContact CB-CE 4.23Å; D124-M232 WeakPolarHBondContact OD1-CE 3.19Å; D124-M232 WeakPolarHBondContact OD2-CE 3.33Å |
| 125 | A | 87.9 | Confident | 84.2 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L102 A103 F121 D128 V129 | L102-A125 HydrophobicContact CB-CB 4.47Å; A103-A125 HydrophobicContact CB-CB 3.73Å; F121-A125 PolarHBondContact O-N 3.36Å; A125-D128 PolarHBondContact O-N 3.36Å; A125-V129 WeakPolarHBondContact O-CG2 3.33Å; A125-V129 PolarHBondContact O-N 3.36Å; A125-V129 VanDerWaalsContact O-N 3.09Å |
| 126 | T | 88.4 | Confident | 85 | Confident | 47 Ų | 47 | 29.3 Ų | 29.3 | 29% | 0.288 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 112 | F107 A122 F123 D124 V129 M130 | F107-T126 WeakPolarHBondContact CE2-OG1 3.38Å; A122-T126 WeakPolarHBondContact O-CB 3.31Å; A122-T126 PolarHBondContact O-N 3.46Å; A122-T126 PolarHBondContact O-OG1 3.39Å; F123-T126 WeakPolarHBondContact O-CB 3.08Å; F123-T126 PolarHBondContact O-N 3.5Å; D124-T126 VanDerWaalsContact C-N 3.27Å; D124-T126 PolarHBondContact O-N 3.07Å; T126-V129 PolarHBondContact O-N 2.95Å; T126-M130 VanDerWaalsContact O-CG 3.28Å; T126-M130 WeakPolarHBondContact O-CG 3.08Å; T126-M130 PolarHBondContact O-N 2.89Å |
| 127 | L | 88.4 | Confident | 85.6 | Confident | 15 Ų | 15 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 175.9 | -69.4 | 162.3 | 0 | 0 | 0 | 111.9 | F123 D124 M130 S131 V161 S165 | F123-L127 HydrophobicContact CD1-CD1 3.65Å; F123-L127 HydrophobicContact CD1-CG 4.37Å; F123-L127 HydrophobicContact CE1-CD1 3.46Å; F123-L127 VanDerWaalsContact CE1-CD1 3.46Å; F123-L127 HydrophobicContact CE1-CD2 4.43Å; F123-L127 HydrophobicContact CE1-CG 4.15Å; F123-L127 HydrophobicContact CZ-CD1 4.18Å; F123-L127 HydrophobicContact CZ-CD2 4.36Å; F123-L127 HydrophobicContact CZ-CG 4.43Å; F123-L127 WeakPolarHBondContact O-CG 3.26Å; F123-L127 PolarHBondContact O-N 3.44Å; D124-L127 WeakPolarHBondContact O-CB 3.36Å; D124-L127 PolarHBondContact O-N 3.01Å; D124-L127 VanDerWaalsContact O-N 3.07Å; L127-M130 PolarHBondContact O-N 3.46Å; L127-S131 PolarHBondContact O-N 2.68Å; L127-S131 PolarHBondContact O-OG 2.86Å; L127-V161 HydrophobicContact CD2-CG1 3.62Å; L127-S165 VanDerWaalsContact CD1-CB 3.44Å; L127-S165 VanDerWaalsContact CD1-OG 3.3Å; L127-S165 WeakPolarHBondContact CD1-OG 3.43Å |
| 128 | D | 90.4 | Very high | 86 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.8 | -37.2 | 173.8 | -161.6 | 92.1 | 0 | 0 | 0 | 112.9 | S95 T99 D124 A125 M130 S131 S132 K207 N225 S226 | S95-D128 PolarHBondContact OG-OD2 3.45Å; T99-D128 HydrophobicContact CG2-CB 4.08Å; T99-D128 WeakPolarHBondContact CG2-OD2 3.27Å; T99-D128 PolarHBondContact OG1-OD2 3.07Å; D124-D128 PolarHBondContact O-N 2.99Å; D124-D128 VanDerWaalsContact O-N 3.1Å; A125-D128 PolarHBondContact O-N 3.36Å; D128-M130 VanDerWaalsContact C-N 3.32Å; D128-M130 PolarHBondContact O-N 2.86Å; D128-S131 WeakPolarHBondContact CA-OG 3.45Å; D128-S131 PolarHBondContact O-N 2.94Å; D128-S131 PolarHBondContact O-OG 3.44Å; D128-S131 VanDerWaalsContact O-OG 3.06Å; D128-S132 WeakPolarHBondContact O-CB 3.21Å; D128-S132 PolarHBondContact O-N 3.5Å; D128-S132 PolarHBondContact O-OG 3.04Å; D128-S132 PolarHBondContact OD2-OG 2.77Å; D128-K207 IonicContact OD1-NZ 3.94Å; D128-K207 PolarHBondContact OD1-NZ 3.28Å; D128-K207 IonicContact OD2-NZ 3.36Å; D128-K207 PolarHBondContact OD2-NZ 2.94Å; D128-K207 VanDerWaalsContact OD2-NZ 3.15Å; D128-N225 VanDerWaalsContact CA-ND2 3.25Å; D128-N225 WeakPolarHBondContact CA-ND2 3.42Å; D128-N225 VanDerWaalsContact CB-ND2 3.3Å; D128-N225 WeakPolarHBondContact CB-ND2 3.27Å; D128-N225 PolarHBondContact N-ND2 3.12Å; D128-N225 PolarHBondContact OD1-ND2 3.04Å; D128-S226 WeakPolarHBondContact OD1-CA 3.33Å; D128-S226 WeakPolarHBondContact OD1-CB 3.41Å; D128-S226 PolarHBondContact OD1-N 3.28Å; D128-S226 PolarHBondContact OD1-OG 2.94Å |
| 129 | V | 91.4 | Very high | 85.8 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 15% | 0.152 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 170.1 | 172 | 0 | 0 | 0 | 0 | 110.1 | I96 T99 L100 A125 T126 A133 | I96-V129 HydrophobicContact CG2-CG1 4.44Å; T99-V129 VanDerWaalsContact OG1-CG2 3.31Å; T99-V129 WeakPolarHBondContact OG1-CG2 3.41Å; L100-V129 HydrophobicContact CB-CG2 4Å; L100-V129 VanDerWaalsContact N-CG2 3.34Å; A125-V129 WeakPolarHBondContact O-CG2 3.33Å; A125-V129 PolarHBondContact O-N 3.36Å; A125-V129 VanDerWaalsContact O-N 3.09Å; T126-V129 PolarHBondContact O-N 2.95Å; V129-A133 WeakPolarHBondContact O-CB 3.4Å; V129-A133 PolarHBondContact O-N 2.84Å |
| 130 | M | 91 | Very high | 85.3 | Confident | 95 Ų | 95 | 31 Ų | 31 | 47% | 0.468 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.6 | -72.8 | -68.4 | -70 | 0 | 0 | 112.4 | T126 L127 D128 A133 I134 | T126-M130 VanDerWaalsContact O-CG 3.28Å; T126-M130 WeakPolarHBondContact O-CG 3.08Å; T126-M130 PolarHBondContact O-N 2.89Å; L127-M130 PolarHBondContact O-N 3.46Å; D128-M130 VanDerWaalsContact C-N 3.32Å; D128-M130 PolarHBondContact O-N 2.86Å; M130-A133 PolarHBondContact O-N 3.35Å; M130-I134 WeakPolarHBondContact O-CD1 3.38Å; M130-I134 VanDerWaalsContact O-CG1 3.25Å; M130-I134 WeakPolarHBondContact O-CG1 3.4Å; M130-I134 PolarHBondContact O-N 2.59Å |
| 131 | S | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 177.5 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | L127 D128 A133 I134 V135 D222 | L127-S131 PolarHBondContact O-N 2.68Å; L127-S131 PolarHBondContact O-OG 2.86Å; D128-S131 WeakPolarHBondContact CA-OG 3.45Å; D128-S131 PolarHBondContact O-N 2.94Å; D128-S131 PolarHBondContact O-OG 3.44Å; D128-S131 VanDerWaalsContact O-OG 3.06Å; S131-A133 VanDerWaalsContact C-N 3.31Å; S131-A133 PolarHBondContact O-N 3.45Å; S131-I134 PolarHBondContact O-N 3.34Å; S131-V135 WeakPolarHBondContact O-CG2 3.02Å; S131-V135 PolarHBondContact O-N 3.41Å; S131-V135 VanDerWaalsContact O-N 3.1Å; S131-D222 WeakPolarHBondContact CB-OD1 3.48Å; S131-D222 PolarHBondContact OG-OD1 2.71Å |
| 132 | S | 89.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | S95 I96 D128 V135 L136 K207 D222 | S95-S132 PolarHBondContact OG-OG 3.31Å; I96-S132 VanDerWaalsContact CG1-CB 3.49Å; D128-S132 WeakPolarHBondContact O-CB 3.21Å; D128-S132 PolarHBondContact O-N 3.5Å; D128-S132 PolarHBondContact O-OG 3.04Å; D128-S132 PolarHBondContact OD2-OG 2.77Å; S132-V135 PolarHBondContact O-N 3.3Å; S132-L136 WeakPolarHBondContact O-CB 3.46Å; S132-L136 PolarHBondContact O-N 3.28Å; S132-K207 PolarHBondContact OG-NZ 3.46Å; S132-D222 PolarHBondContact N-OD1 3Å; S132-D222 PolarHBondContact OG-OD1 3.17Å |
| 133 | A | 88.9 | Confident | 81.1 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.1 | -38.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I96 V129 M130 S131 V135 L136 W137 | I96-A133 HydrophobicContact CD1-CB 4.36Å; V129-A133 WeakPolarHBondContact O-CB 3.4Å; V129-A133 PolarHBondContact O-N 2.84Å; M130-A133 PolarHBondContact O-N 3.35Å; S131-A133 VanDerWaalsContact C-N 3.31Å; S131-A133 PolarHBondContact O-N 3.45Å; A133-V135 VanDerWaalsContact C-N 3.33Å; A133-L136 PolarHBondContact O-N 2.84Å; A133-W137 WeakPolarHBondContact O-CB 3.47Å; A133-W137 PolarHBondContact O-N 2.92Å |
| 134 | I | 88.1 | Confident | 79 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.1 | -67.2 | 156.6 | 0 | 0 | 0 | 110.5 | M130 S131 W137 R138 A154 I157 L158 V161 | M130-I134 WeakPolarHBondContact O-CD1 3.38Å; M130-I134 VanDerWaalsContact O-CG1 3.25Å; M130-I134 WeakPolarHBondContact O-CG1 3.4Å; M130-I134 PolarHBondContact O-N 2.59Å; S131-I134 PolarHBondContact O-N 3.34Å; I134-W137 PolarHBondContact O-N 3.15Å; I134-R138 PolarHBondContact O-N 3.18Å; I134-R138 VanDerWaalsContact O-N 3.09Å; I134-A154 HydrophobicContact CG2-CB 3.85Å; I134-I157 HydrophobicContact CD1-CB 4.42Å; I134-I157 HydrophobicContact CD1-CG2 3.58Å; I134-I157 HydrophobicContact CG1-CG2 4.12Å; I134-L158 HydrophobicContact CB-CD2 4.33Å; I134-L158 HydrophobicContact CB-CG 4.5Å; I134-L158 HydrophobicContact CD1-CD2 3.92Å; I134-L158 HydrophobicContact CD1-CG 4.31Å; I134-L158 HydrophobicContact CG2-CD1 4.41Å; I134-L158 HydrophobicContact CG2-CD2 4.41Å; I134-L158 HydrophobicContact CG2-CG 4.04Å; I134-V161 HydrophobicContact CD1-CG2 4.35Å |
| 135 | V | 84.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | S131 S132 A133 W137 R138 Y139 L158 A218 L219 D222 | S131-V135 WeakPolarHBondContact O-CG2 3.02Å; S131-V135 PolarHBondContact O-N 3.41Å; S131-V135 VanDerWaalsContact O-N 3.1Å; S132-V135 PolarHBondContact O-N 3.3Å; A133-V135 VanDerWaalsContact C-N 3.33Å; V135-W137 PolarHBondContact O-N 3.5Å; V135-R138 WeakPolarHBondContact O-CB 3.24Å; V135-R138 PolarHBondContact O-N 2.8Å; V135-Y139 HydrophobicContact CG1-CD2 3.87Å; V135-Y139 HydrophobicContact CG1-CE2 3.88Å; V135-Y139 VanDerWaalsContact O-CD2 3.29Å; V135-Y139 WeakPolarHBondContact O-CD2 3.43Å; V135-Y139 PolarHBondContact O-N 3.28Å; V135-L158 HydrophobicContact CG2-CD1 4.42Å; V135-A218 HydrophobicContact CG2-CB 4.21Å; V135-L219 HydrophobicContact CG1-CB 4.28Å; V135-L219 HydrophobicContact CG1-CD1 3.88Å; V135-D222 HydrophobicContact CG2-CB 3.65Å |
| 136 | L | 85.2 | Confident | 75.1 | Confident | 40 Ų | 40 | 49.9 Ų | 49.9 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.5 | -172.6 | 142.4 | 0 | 0 | 0 | 111.7 | L89 W93 I96 S132 A133 R138 Y139 S140 | L89-L136 HydrophobicContact CD2-CG 4.12Å; W93-L136 HydrophobicContact CB-CD1 4.14Å; W93-L136 HydrophobicContact CG-CD1 4.36Å; I96-L136 HydrophobicContact CD1-CB 4.22Å; I96-L136 HydrophobicContact CD1-CD1 3.91Å; S132-L136 WeakPolarHBondContact O-CB 3.46Å; S132-L136 PolarHBondContact O-N 3.28Å; A133-L136 PolarHBondContact O-N 2.84Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 3.34Å; L136-Y139 PolarHBondContact O-N 2.64Å; L136-Y139 VanDerWaalsContact O-N 3.07Å; L136-S140 VanDerWaalsContact O-CB 3.27Å; L136-S140 WeakPolarHBondContact O-CB 3.2Å; L136-S140 PolarHBondContact O-N 3.19Å |
| 137 | W | 85.1 | Confident | 73.9 | Confident | 115 Ų | 115 | 51.7 Ų | 51.7 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 175.2 | 174.1 | 83.2 | 0 | 0 | 0 | 112.4 | A133 I134 V135 Y139 I153 | A133-W137 WeakPolarHBondContact O-CB 3.47Å; A133-W137 PolarHBondContact O-N 2.92Å; I134-W137 PolarHBondContact O-N 3.15Å; V135-W137 PolarHBondContact O-N 3.5Å; W137-Y139 VanDerWaalsContact C-N 3.34Å; W137-Y139 PolarHBondContact O-N 2.72Å; W137-I153 HydrophobicContact CH2-CG2 4.21Å; W137-I153 HydrophobicContact CZ3-CG2 4.19Å |
| 138 | R | 82.1 | Confident | 72.9 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 172.3 | 153.4 | 175.8 | -179.6 | 73.2 | -15.7 | 112 | I134 V135 L136 S147 E151 A154 S216 | I134-R138 PolarHBondContact O-N 3.18Å; I134-R138 VanDerWaalsContact O-N 3.09Å; V135-R138 WeakPolarHBondContact O-CB 3.24Å; V135-R138 PolarHBondContact O-N 2.8Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 3.34Å; R138-S147 PolarHBondContact NH1-O 2.93Å; R138-E151 WeakPolarHBondContact CD-OE2 3.2Å; R138-E151 IonicContact CZ-OE1 3.64Å; R138-E151 IonicContact CZ-OE2 3.18Å; R138-E151 IonicContact NE-OE1 2.66Å; R138-E151 IonicContact NE-OE2 3.99Å; R138-E151 PolarHBondContact NE-OE2 2.96Å; R138-E151 IonicContact NH1-OE2 2.75Å; R138-E151 VanDerWaalsContact NH2-CD 3.29Å; R138-E151 IonicContact NH2-OE1 2.69Å; R138-E151 PolarHBondContact NH2-OE1 3.34Å; R138-E151 IonicContact NH2-OE2 3.77Å; R138-E151 PolarHBondContact NH2-OE2 2.96Å; R138-A154 HydrophobicContact CB-CB 4.43Å; R138-S216 PolarHBondContact NE-OG 3.32Å |
| 139 | Y | 74.3 | Confident | 72.3 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -88 | -21.6 | -172.3 | -75.6 | -68.1 | 0 | 0 | 0 | 114.5 | R85 A88 V135 L136 W137 N141 S216 | R85-Y139 HydrophobicContact CG-CD1 4.21Å; R85-Y139 HydrophobicContact CG-CE1 4.32Å; A88-Y139 HydrophobicContact CB-CE2 4.46Å; V135-Y139 HydrophobicContact CG1-CD2 3.87Å; V135-Y139 HydrophobicContact CG1-CE2 3.88Å; V135-Y139 VanDerWaalsContact O-CD2 3.29Å; V135-Y139 WeakPolarHBondContact O-CD2 3.43Å; V135-Y139 PolarHBondContact O-N 3.28Å; L136-Y139 PolarHBondContact O-N 2.64Å; L136-Y139 VanDerWaalsContact O-N 3.07Å; W137-Y139 VanDerWaalsContact C-N 3.34Å; W137-Y139 PolarHBondContact O-N 2.72Å; Y139-N141 PolarHBondContact O-N 3.24Å; Y139-S216 WeakPolarHBondContact OH-CB 3.42Å; Y139-S216 PolarHBondContact OH-OG 2.97Å |
| 140 | S | 69.1 | Low | 71.8 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -70.4 | -27.1 | -172.1 | -172.2 | 0 | 0 | 0 | 0 | 114.7 | L136 | L136-S140 VanDerWaalsContact O-CB 3.27Å; L136-S140 WeakPolarHBondContact O-CB 3.2Å; L136-S140 PolarHBondContact O-N 3.19Å |
| 141 | N | 62.2 | Low | 71.4 | Confident | 86 Ų | 86 | 50.9 Ų | 50.9 | 46% | 0.46 | 31% | 0.309 | S | S | . | . | trans | -100.8 | 98.7 | -176.3 | -159.1 | 67.1 | 0 | 0 | 0 | 111.1 | Y139 A143 | Y139-N141 PolarHBondContact O-N 3.24Å; N141-A143 PolarHBondContact ND2-O 2.89Å | ||
| 142 | A | 50.7 | Low | 71.3 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | trans | -85.4 | -9.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 143 | A | 45.1 | Very low | 71.2 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -109.6 | 144.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N141 | N141-A143 PolarHBondContact ND2-O 2.89Š|
| 144 | A | 39.7 | Very low | 71.2 | Confident | 84 Ų | 84 | 52.3 Ų | 52.3 | 69% | 0.694 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 65.6 | 110.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 145 | V | 41.7 | Very low | 71.3 | Confident | 110 Ų | 110 | 51.5 Ų | 51.5 | 67% | 0.667 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 68.7 | 119.2 | 144.7 | -171.9 | 0 | 0 | 0 | 0 | 118.3 | ||
| 146 | H | 50.8 | Low | 71.7 | Confident | 106 Ų | 106 | 52.7 Ų | 52.7 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | trans | 52.6 | 79.3 | 169.3 | -65.9 | 119.9 | 0 | 0 | 0 | 119 | A148 H149 R150 E286 | H146-A148 PolarHBondContact O-N 3.1Å; H146-H149 HydrophobicContact CB-CB 3.62Å; H146-H149 PolarHBondContact O-N 3.47Å; H146-H149 VanDerWaalsContact O-N 3.09Å; H146-R150 PolarHBondContact O-N 2.95Å; H146-E286 IonicContact ND1-OE1 3.68Å; H146-E286 PolarHBondContact ND1-OE1 2.71Å | ||
| 147 | S | 62.9 | Low | 72.1 | Confident | 84 Ų | 84 | 54 Ų | 54 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -50.9 | -35.5 | 164.4 | -178 | 0 | 0 | 0 | 0 | 113.6 | R138 E151 | R138-S147 PolarHBondContact NH1-O 2.93Å; S147-E151 PolarHBondContact O-N 3.25Å |
| 148 | A | 68.1 | Low | 72.4 | Confident | 29 Ų | 29 | 48.6 Ų | 48.6 | 24% | 0.24 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.9 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H146 R150 E151 Y152 | H146-A148 PolarHBondContact O-N 3.1Å; A148-R150 PolarHBondContact O-N 3.14Å; A148-E151 WeakPolarHBondContact O-CB 3.45Å; A148-E151 PolarHBondContact O-N 3.49Å; A148-E151 VanDerWaalsContact O-N 3.08Å; A148-Y152 HydrophobicContact CB-CE2 4.19Å; A148-Y152 VanDerWaalsContact O-CD2 3.27Å; A148-Y152 WeakPolarHBondContact O-CD2 3.5Å; A148-Y152 PolarHBondContact O-N 3.29Å |
| 149 | H | 76.3 | Confident | 72.9 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | -179.6 | -171.9 | 6.4 | 0 | 0 | 0 | 111.3 | H146 E151 Y152 I153 T282 E286 | H146-H149 HydrophobicContact CB-CB 3.62Å; H146-H149 PolarHBondContact O-N 3.47Å; H146-H149 VanDerWaalsContact O-N 3.09Å; H149-E151 VanDerWaalsContact C-N 3.3Å; H149-E151 PolarHBondContact O-N 2.93Å; H149-Y152 PolarHBondContact O-N 3.09Å; H149-I153 VanDerWaalsContact CE1-CD1 3.48Å; H149-I153 WeakPolarHBondContact CE1-CD1 3.45Å; H149-I153 WeakPolarHBondContact O-CG1 3.39Å; H149-I153 PolarHBondContact O-N 2.99Å; H149-T282 PolarHBondContact ND1-OG1 3.1Å; H149-E286 IonicContact CD2-OE1 2.89Å; H149-E286 IonicContact CD2-OE2 3.88Å; H149-E286 IonicContact NE2-OE2 2.93Å |
| 150 | R | 80.9 | Confident | 73.8 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.9 | -29.8 | 173.4 | -71.7 | -171.1 | 179.3 | -118.3 | 3.1 | 113.3 | H146 A148 A154 | H146-R150 PolarHBondContact O-N 2.95Å; A148-R150 PolarHBondContact O-N 3.14Å; R150-A154 VanDerWaalsContact O-CB 3.27Å; R150-A154 WeakPolarHBondContact O-CB 3.2Å; R150-A154 PolarHBondContact O-N 3.49Å |
| 151 | E | 84.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64 | -48 | 172.2 | -175.5 | 70.2 | 135.5 | 0 | 0 | 110.8 | R138 S147 A148 H149 I153 A154 C155 S216 R217 A218 | R138-E151 WeakPolarHBondContact CD-OE2 3.2Å; R138-E151 IonicContact CZ-OE1 3.64Å; R138-E151 IonicContact CZ-OE2 3.18Å; R138-E151 IonicContact NE-OE1 2.66Å; R138-E151 IonicContact NE-OE2 3.99Å; R138-E151 PolarHBondContact NE-OE2 2.96Å; R138-E151 IonicContact NH1-OE2 2.75Å; R138-E151 VanDerWaalsContact NH2-CD 3.29Å; R138-E151 IonicContact NH2-OE1 2.69Å; R138-E151 PolarHBondContact NH2-OE1 3.34Å; R138-E151 IonicContact NH2-OE2 3.77Å; R138-E151 PolarHBondContact NH2-OE2 2.96Å; S147-E151 PolarHBondContact O-N 3.25Å; A148-E151 WeakPolarHBondContact O-CB 3.45Å; A148-E151 PolarHBondContact O-N 3.49Å; A148-E151 VanDerWaalsContact O-N 3.08Å; H149-E151 VanDerWaalsContact C-N 3.3Å; H149-E151 PolarHBondContact O-N 2.93Å; E151-I153 PolarHBondContact O-N 3.29Å; E151-A154 PolarHBondContact O-N 3.49Å; E151-C155 WeakPolarHBondContact O-CB 3.05Å; E151-C155 PolarHBondContact O-N 3.48Å; E151-C155 PolarHBondContact O-SG 2.95Å; E151-S216 VanDerWaalsContact OE1-C 3.27Å; E151-S216 WeakPolarHBondContact OE1-CA 3.06Å; E151-S216 VanDerWaalsContact OE1-CB 3.3Å; E151-S216 WeakPolarHBondContact OE1-CB 3.42Å; E151-S216 PolarHBondContact OE1-OG 3.49Å; E151-S216 PolarHBondContact OE2-OG 2.93Å; E151-R217 PolarHBondContact OE1-N 3.33Å; E151-A218 PolarHBondContact OE1-N 2.96Å; E151-A218 WeakPolarHBondContact OE2-CB 3.31Å |
| 152 | Y | 86.3 | Confident | 76.3 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 8% | 0.078 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | -179 | -54.6 | -38.8 | 0 | 0 | 0 | 111.6 | L69 A148 H149 C155 V156 M275 R278 V279 T282 | L69-Y152 HydrophobicContact CD1-CE1 3.8Å; A148-Y152 HydrophobicContact CB-CE2 4.19Å; A148-Y152 VanDerWaalsContact O-CD2 3.27Å; A148-Y152 WeakPolarHBondContact O-CD2 3.5Å; A148-Y152 PolarHBondContact O-N 3.29Å; H149-Y152 PolarHBondContact O-N 3.09Å; Y152-C155 PolarHBondContact O-N 3.14Å; Y152-V156 WeakPolarHBondContact O-CB 3.41Å; Y152-V156 WeakPolarHBondContact O-CG2 3.47Å; Y152-V156 PolarHBondContact O-N 3.15Å; Y152-M275 HydrophobicContact CD1-CE 4.29Å; Y152-M275 HydrophobicContact CD1-SD 3.84Å; Y152-M275 HydrophobicContact CE1-CE 4.46Å; Y152-M275 HydrophobicContact CE1-SD 4.49Å; Y152-R278 HydrophobicContact CD1-CB 4.27Å; Y152-R278 HydrophobicContact CD2-CB 4Å; Y152-R278 HydrophobicContact CE1-CB 4.31Å; Y152-R278 HydrophobicContact CE2-CB 4.04Å; Y152-R278 HydrophobicContact CG-CB 4.13Å; Y152-V279 VanDerWaalsContact CB-CG2 3.44Å; Y152-T282 HydrophobicContact CD2-CG2 4.3Å; Y152-T282 HydrophobicContact CE2-CG2 4.25Å |
| 153 | I | 88.1 | Confident | 78.4 | Confident | 49 Ų | 49 | 42 Ų | 42 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -49.8 | 172.8 | -67 | 165.6 | 0 | 0 | 0 | 110.8 | W137 H149 E151 C155 V156 I157 | W137-I153 HydrophobicContact CH2-CG2 4.21Å; W137-I153 HydrophobicContact CZ3-CG2 4.19Å; H149-I153 VanDerWaalsContact CE1-CD1 3.48Å; H149-I153 WeakPolarHBondContact CE1-CD1 3.45Å; H149-I153 WeakPolarHBondContact O-CG1 3.39Å; H149-I153 PolarHBondContact O-N 2.99Å; E151-I153 PolarHBondContact O-N 3.29Å; I153-C155 VanDerWaalsContact C-N 3.35Å; I153-C155 PolarHBondContact O-N 3Å; I153-V156 PolarHBondContact O-N 3.32Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.39Å; I153-I157 WeakPolarHBondContact O-CG1 3.07Å; I153-I157 PolarHBondContact O-N 3.23Å |
| 154 | A | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I134 R138 R150 E151 V156 I157 L158 A218 | I134-A154 HydrophobicContact CG2-CB 3.85Å; R138-A154 HydrophobicContact CB-CB 4.43Å; R150-A154 VanDerWaalsContact O-CB 3.27Å; R150-A154 WeakPolarHBondContact O-CB 3.2Å; R150-A154 PolarHBondContact O-N 3.49Å; E151-A154 PolarHBondContact O-N 3.49Å; A154-V156 PolarHBondContact O-N 3.22Å; A154-I157 PolarHBondContact O-N 3.25Å; A154-L158 WeakPolarHBondContact O-CB 3.34Å; A154-L158 VanDerWaalsContact O-CG 3.24Å; A154-L158 WeakPolarHBondContact O-CG 3.49Å; A154-L158 PolarHBondContact O-N 3.01Å; A154-A218 HydrophobicContact CB-CB 4.04Å |
| 155 | C | 90.1 | Very high | 83 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 176.6 | -63.5 | 0 | 0 | 0 | 0 | 113.3 | E151 Y152 I153 G159 L271 M275 | E151-C155 WeakPolarHBondContact O-CB 3.05Å; E151-C155 PolarHBondContact O-N 3.48Å; E151-C155 PolarHBondContact O-SG 2.95Å; Y152-C155 PolarHBondContact O-N 3.14Å; I153-C155 VanDerWaalsContact C-N 3.35Å; I153-C155 PolarHBondContact O-N 3Å; C155-G159 PolarHBondContact O-N 3Å; C155-L271 HydrophobicContact CB-CD1 4.05Å; C155-L271 HydrophobicContact CB-CD2 4.5Å; C155-L271 HydrophobicContact CB-CG 4.34Å; C155-L271 WeakPolarHBondContact O-CD2 3.21Å; C155-M275 HydrophobicContact CB-CB 4.3Å; C155-M275 HydrophobicContact CB-CG 3.58Å; C155-M275 HydrophobicContact CB-SD 3.65Å |
| 156 | V | 92.4 | Very high | 85.4 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 174.7 | 164.2 | 0 | 0 | 0 | 0 | 111.2 | Y152 I153 A154 G159 I160 L272 M275 V276 V279 | Y152-V156 WeakPolarHBondContact O-CB 3.41Å; Y152-V156 WeakPolarHBondContact O-CG2 3.47Å; Y152-V156 PolarHBondContact O-N 3.15Å; I153-V156 PolarHBondContact O-N 3.32Å; A154-V156 PolarHBondContact O-N 3.22Å; V156-G159 PolarHBondContact O-N 3.26Å; V156-I160 HydrophobicContact CG1-CD1 4.11Å; V156-I160 WeakPolarHBondContact O-CG1 3.34Å; V156-I160 PolarHBondContact O-N 2.91Å; V156-L272 HydrophobicContact CB-CD1 4.43Å; V156-L272 HydrophobicContact CG1-CD1 3.89Å; V156-L272 HydrophobicContact CG2-CD1 4.42Å; V156-M275 HydrophobicContact CG2-CB 3.68Å; V156-V276 HydrophobicContact CG1-CG2 4.41Å; V156-V276 HydrophobicContact CG2-CG2 3.91Å; V156-V279 HydrophobicContact CG2-CG2 3.84Å |
| 157 | I | 92.8 | Very high | 87.4 | Confident | 69 Ų | 69 | 33.9 Ų | 33.9 | 35% | 0.354 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.5 | -46 | 177.6 | -61.3 | 167.6 | 0 | 0 | 0 | 110 | I134 I153 A154 G159 I160 V161 | I134-I157 HydrophobicContact CD1-CB 4.42Å; I134-I157 HydrophobicContact CD1-CG2 3.58Å; I134-I157 HydrophobicContact CG1-CG2 4.12Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.39Å; I153-I157 WeakPolarHBondContact O-CG1 3.07Å; I153-I157 PolarHBondContact O-N 3.23Å; A154-I157 PolarHBondContact O-N 3.25Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 2.9Å; I157-I160 PolarHBondContact O-N 3.34Å; I157-V161 HydrophobicContact CG2-CG2 4.41Å; I157-V161 WeakPolarHBondContact O-CG2 3.5Å; I157-V161 PolarHBondContact O-N 3.47Å |
| 158 | L | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 175 | -72.2 | 166.3 | 0 | 0 | 0 | 112 | I134 V135 A154 I160 V161 F162 A218 T221 L271 | I134-L158 HydrophobicContact CB-CD2 4.33Å; I134-L158 HydrophobicContact CB-CG 4.5Å; I134-L158 HydrophobicContact CD1-CD2 3.92Å; I134-L158 HydrophobicContact CD1-CG 4.31Å; I134-L158 HydrophobicContact CG2-CD1 4.41Å; I134-L158 HydrophobicContact CG2-CD2 4.41Å; I134-L158 HydrophobicContact CG2-CG 4.04Å; V135-L158 HydrophobicContact CG2-CD1 4.42Å; A154-L158 WeakPolarHBondContact O-CB 3.34Å; A154-L158 VanDerWaalsContact O-CG 3.24Å; A154-L158 WeakPolarHBondContact O-CG 3.49Å; A154-L158 PolarHBondContact O-N 3.01Å; L158-I160 PolarHBondContact O-N 2.97Å; L158-V161 PolarHBondContact O-N 3.47Å; L158-F162 WeakPolarHBondContact O-CB 3.31Å; L158-F162 WeakPolarHBondContact O-CD1 3.49Å; L158-F162 PolarHBondContact O-N 3.29Å; L158-A218 HydrophobicContact CD1-CB 3.88Å; L158-T221 HydrophobicContact CB-CG2 3.89Å; L158-T221 HydrophobicContact CD1-CG2 4.06Å; L158-T221 HydrophobicContact CG-CG2 4.4Å; L158-L271 HydrophobicContact CB-CD2 4.4Å |
| 159 | G | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C155 V156 I157 F162 I163 | C155-G159 PolarHBondContact O-N 3Å; V156-G159 PolarHBondContact O-N 3.26Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 2.9Å; G159-F162 PolarHBondContact O-N 3.48Å; G159-I163 VanDerWaalsContact O-CG1 3.3Å; G159-I163 WeakPolarHBondContact O-CG1 3.42Å; G159-I163 PolarHBondContact O-N 3.48Å |
| 160 | I | 94.1 | Very high | 90.3 | Very high | 82 Ų | 82 | 32.8 Ų | 32.8 | 42% | 0.421 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 174.7 | -64.9 | 164.6 | 0 | 0 | 0 | 110.6 | V156 I157 L158 F162 I163 L164 L272 | V156-I160 HydrophobicContact CG1-CD1 4.11Å; V156-I160 WeakPolarHBondContact O-CG1 3.34Å; V156-I160 PolarHBondContact O-N 2.91Å; I157-I160 PolarHBondContact O-N 3.34Å; L158-I160 PolarHBondContact O-N 2.97Å; I160-F162 VanDerWaalsContact C-N 3.31Å; I160-F162 PolarHBondContact O-N 2.88Å; I160-I163 PolarHBondContact O-N 2.94Å; I160-L164 HydrophobicContact CG2-CD1 4.16Å; I160-L164 WeakPolarHBondContact O-CG 3.45Å; I160-L164 PolarHBondContact O-N 3.09Å; I160-L272 HydrophobicContact CG1-CD1 4.1Å |
| 161 | V | 91.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -40.8 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L127 I134 I157 L158 L164 S165 | L127-V161 HydrophobicContact CD2-CG1 3.62Å; I134-V161 HydrophobicContact CD1-CG2 4.35Å; I157-V161 HydrophobicContact CG2-CG2 4.41Å; I157-V161 WeakPolarHBondContact O-CG2 3.5Å; I157-V161 PolarHBondContact O-N 3.47Å; L158-V161 PolarHBondContact O-N 3.47Å; V161-L164 PolarHBondContact O-N 3.15Å; V161-S165 WeakPolarHBondContact O-CB 3.4Å; V161-S165 PolarHBondContact O-N 3.37Å |
| 162 | F | 91.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 175.7 | -88 | 31.4 | 0 | 0 | 0 | 112.8 | L158 G159 I160 S165 S166 T221 F224 N225 I264 Y267 | L158-F162 WeakPolarHBondContact O-CB 3.31Å; L158-F162 WeakPolarHBondContact O-CD1 3.49Å; L158-F162 PolarHBondContact O-N 3.29Å; G159-F162 PolarHBondContact O-N 3.48Å; I160-F162 VanDerWaalsContact C-N 3.31Å; I160-F162 PolarHBondContact O-N 2.88Å; F162-S165 PolarHBondContact O-N 3.4Å; F162-S166 VanDerWaalsContact O-CB 3.29Å; F162-S166 WeakPolarHBondContact O-CB 3.38Å; F162-S166 PolarHBondContact O-N 3.45Å; F162-S166 PolarHBondContact O-OG 3.35Å; F162-T221 HydrophobicContact CD2-CG2 4.48Å; F162-T221 HydrophobicContact CE1-CG2 4.08Å; F162-T221 HydrophobicContact CE2-CG2 3.79Å; F162-T221 HydrophobicContact CZ-CG2 3.58Å; F162-T221 WeakPolarHBondContact CZ-O 3.5Å; F162-F224 AromaticContact CE2-CD1 3.54Å; F162-F224 HydrophobicContact CE2-CD1 3.54Å; F162-F224 HydrophobicContact CE2-CE1 4.01Å; F162-F224 AromaticContact CZ-CD1 3.98Å; F162-F224 HydrophobicContact CZ-CD1 3.98Å; F162-N225 HydrophobicContact CE1-CB 3.92Å; F162-N225 WeakPolarHBondContact CE1-OD1 3.27Å; F162-N225 HydrophobicContact CZ-CB 3.9Å; F162-I264 HydrophobicContact CB-CG2 3.98Å; F162-I264 HydrophobicContact CD2-CG2 3.92Å; F162-I264 HydrophobicContact CG-CG2 4.03Å; F162-Y267 AromaticContact CD2-CD1 3.76Å; F162-Y267 HydrophobicContact CD2-CD1 3.76Å; F162-Y267 HydrophobicContact CD2-CE1 4.38Å; F162-Y267 AromaticContact CE2-CD1 3.69Å; F162-Y267 HydrophobicContact CE2-CD1 3.69Å; F162-Y267 AromaticContact CE2-CE1 3.97Å; F162-Y267 HydrophobicContact CE2-CE1 3.97Å |
| 163 | I | 94.2 | Very high | 90.7 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 20% | 0.195 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.5 | -69.2 | 164.7 | 0 | 0 | 0 | 109.7 | G159 I160 S165 S166 L167 L265 V269 L272 | G159-I163 VanDerWaalsContact O-CG1 3.3Å; G159-I163 WeakPolarHBondContact O-CG1 3.42Å; G159-I163 PolarHBondContact O-N 3.48Å; I160-I163 PolarHBondContact O-N 2.94Å; I163-S165 PolarHBondContact O-N 3.24Å; I163-S166 PolarHBondContact O-N 3.19Å; I163-S166 PolarHBondContact O-OG 3.24Å; I163-L167 HydrophobicContact CG2-CD1 4.39Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.09Å; I163-L167 VanDerWaalsContact O-N 3.16Å; I163-L265 HydrophobicContact CG1-CD1 4.35Å; I163-L265 HydrophobicContact CG2-CD1 4.13Å; I163-V269 HydrophobicContact CD1-CG2 3.96Å; I163-V269 HydrophobicContact CG1-CG2 4.12Å; I163-L272 HydrophobicContact CD1-CD2 4.01Å |
| 164 | L | 91.9 | Very high | 90.7 | Very high | 101 Ų | 101 | 35.5 Ų | 35.5 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.9 | -47 | 177.1 | -66.1 | 173.3 | 0 | 0 | 0 | 112 | I160 V161 S166 L167 C168 | I160-L164 HydrophobicContact CG2-CD1 4.16Å; I160-L164 WeakPolarHBondContact O-CG 3.45Å; I160-L164 PolarHBondContact O-N 3.09Å; V161-L164 PolarHBondContact O-N 3.15Å; L164-S166 PolarHBondContact O-N 3.16Å; L164-L167 PolarHBondContact O-N 3.36Å; L164-C168 PolarHBondContact O-N 3.44Å; L164-C168 PolarHBondContact O-SG 3.47Å; L164-C168 VanDerWaalsContact O-SG 3.4Å |
| 165 | S | 90.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.4 | -52.8 | 173.5 | 166.7 | 0 | 0 | 0 | 0 | 111.9 | L127 V161 F162 I163 L167 C168 I169 | L127-S165 VanDerWaalsContact CD1-CB 3.44Å; L127-S165 VanDerWaalsContact CD1-OG 3.3Å; L127-S165 WeakPolarHBondContact CD1-OG 3.43Å; V161-S165 WeakPolarHBondContact O-CB 3.4Å; V161-S165 PolarHBondContact O-N 3.37Å; F162-S165 PolarHBondContact O-N 3.4Å; I163-S165 PolarHBondContact O-N 3.24Å; S165-L167 VanDerWaalsContact C-N 3.29Å; S165-L167 PolarHBondContact O-N 2.75Å; S165-C168 WeakPolarHBondContact O-CB 3.48Å; S165-C168 PolarHBondContact O-N 2.97Å; S165-I169 WeakPolarHBondContact O-CG1 3.41Å; S165-I169 PolarHBondContact O-N 3.15Å; S165-I169 WeakPolarHBondContact OG-CD1 3.44Å |
| 166 | S | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | -176.6 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | F162 I163 L164 L170 G261 L265 | F162-S166 VanDerWaalsContact O-CB 3.29Å; F162-S166 WeakPolarHBondContact O-CB 3.38Å; F162-S166 PolarHBondContact O-N 3.45Å; F162-S166 PolarHBondContact O-OG 3.35Å; I163-S166 PolarHBondContact O-N 3.19Å; I163-S166 PolarHBondContact O-OG 3.24Å; L164-S166 PolarHBondContact O-N 3.16Å; S166-L170 WeakPolarHBondContact O-CB 3.44Å; S166-L170 PolarHBondContact O-N 3.14Å; S166-G261 WeakPolarHBondContact CB-O 3.47Å; S166-L265 WeakPolarHBondContact OG-CA 3.24Å; S166-L265 WeakPolarHBondContact OG-CB 3.4Å; S166-L265 WeakPolarHBondContact OG-CD1 3.27Å |
| 167 | L | 92.3 | Very high | 89.4 | Confident | 96 Ų | 96 | 43.3 Ų | 43.3 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.5 | -38.5 | 174.9 | -66.9 | 172.6 | 0 | 0 | 0 | 111.6 | I163 L164 S165 G171 | I163-L167 HydrophobicContact CG2-CD1 4.39Å; I163-L167 WeakPolarHBondContact O-CG 3.42Å; I163-L167 PolarHBondContact O-N 3.09Å; I163-L167 VanDerWaalsContact O-N 3.16Å; L164-L167 PolarHBondContact O-N 3.36Å; S165-L167 VanDerWaalsContact C-N 3.29Å; S165-L167 PolarHBondContact O-N 2.75Å; L167-G171 PolarHBondContact O-N 3.18Å |
| 168 | C | 88.3 | Confident | 88.9 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 43% | 0.426 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 175.1 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | F123 L164 S165 G171 K172 | F123-C168 HydrophobicContact CD1-CB 4.07Å; F123-C168 HydrophobicContact CE1-CB 3.43Å; F123-C168 VanDerWaalsContact CE1-CB 3.43Å; F123-C168 HydrophobicContact CZ-CB 4.09Å; L164-C168 PolarHBondContact O-N 3.44Å; L164-C168 PolarHBondContact O-SG 3.47Å; L164-C168 VanDerWaalsContact O-SG 3.4Å; S165-C168 WeakPolarHBondContact O-CB 3.48Å; S165-C168 PolarHBondContact O-N 2.97Å; C168-G171 PolarHBondContact O-N 3.37Å; C168-K172 PolarHBondContact O-N 2.91Å |
| 169 | I | 88.5 | Confident | 88.2 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.108 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 176.9 | -67.3 | 168.5 | 0 | 0 | 0 | 110.1 | S165 G171 K172 A173 M232 I264 | S165-I169 WeakPolarHBondContact O-CG1 3.41Å; S165-I169 PolarHBondContact O-N 3.15Å; S165-I169 WeakPolarHBondContact OG-CD1 3.44Å; I169-G171 VanDerWaalsContact C-N 3.35Å; I169-G171 PolarHBondContact O-N 3.05Å; I169-K172 PolarHBondContact O-N 3.47Å; I169-A173 VanDerWaalsContact O-CB 3.32Å; I169-A173 WeakPolarHBondContact O-CB 3.33Å; I169-A173 PolarHBondContact O-N 3.43Å; I169-M232 HydrophobicContact CD1-CE 4.19Å; I169-M232 HydrophobicContact CD1-SD 4.28Å; I169-M232 HydrophobicContact CG2-SD 4.26Å; I169-I264 HydrophobicContact CD1-CD1 3.67Å |
| 170 | L | 90.9 | Very high | 87 | Confident | 31 Ų | 31 | 56 Ų | 56 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178.7 | -172.4 | 64.1 | 0 | 0 | 0 | 111.4 | S166 A173 I174 V258 L262 | S166-L170 WeakPolarHBondContact O-CB 3.44Å; S166-L170 PolarHBondContact O-N 3.14Å; L170-A173 PolarHBondContact O-N 3.33Å; L170-I174 HydrophobicContact CD1-CD1 4.09Å; L170-I174 HydrophobicContact CD1-CG1 4.41Å; L170-I174 HydrophobicContact CG-CD1 3.85Å; L170-I174 WeakPolarHBondContact O-CB 3.49Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 3.21Å; L170-V258 HydrophobicContact CD1-CB 4.12Å; L170-V258 HydrophobicContact CD1-CG1 3.89Å; L170-V258 HydrophobicContact CD1-CG2 4.04Å; L170-L262 HydrophobicContact CD1-CG 4.43Å; L170-L262 HydrophobicContact CD2-CD2 4.22Å |
| 171 | G | 88.4 | Confident | 85.3 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L167 C168 I169 H175 | L167-G171 PolarHBondContact O-N 3.18Å; C168-G171 PolarHBondContact O-N 3.37Å; I169-G171 VanDerWaalsContact C-N 3.35Å; I169-G171 PolarHBondContact O-N 3.05Å; G171-H175 VanDerWaalsContact O-CB 3.28Å; G171-H175 WeakPolarHBondContact O-CB 3.5Å; G171-H175 PolarHBondContact O-N 3.41Å |
| 172 | K | 85.1 | Confident | 83.6 | Confident | 58 Ų | 58 | 58 Ų | 58 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -51.6 | 173.3 | 171.4 | 169 | 169.3 | 50.3 | 0 | 111.2 | S117 C168 I169 I174 H175 D176 | S117-K172 PolarHBondContact OG-NZ 2.9Å; C168-K172 PolarHBondContact O-N 2.91Å; I169-K172 PolarHBondContact O-N 3.47Å; K172-I174 VanDerWaalsContact C-N 3.33Å; K172-I174 PolarHBondContact O-N 2.96Å; K172-H175 WeakPolarHBondContact O-CB 3.47Å; K172-H175 PolarHBondContact O-N 3.35Å; K172-H175 VanDerWaalsContact O-N 3.08Å; K172-D176 VanDerWaalsContact CG-OD2 3.31Å; K172-D176 WeakPolarHBondContact CG-OD2 3.47Å; K172-D176 IonicContact NZ-OD1 3.29Å; K172-D176 IonicContact NZ-OD2 2.86Å; K172-D176 PolarHBondContact NZ-OD2 3.37Å; K172-D176 PolarHBondContact O-N 3.49Å |
| 173 | A | 86.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.3 | -37.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I169 L170 L177 V258 | I169-A173 VanDerWaalsContact O-CB 3.32Å; I169-A173 WeakPolarHBondContact O-CB 3.33Å; I169-A173 PolarHBondContact O-N 3.43Å; L170-A173 PolarHBondContact O-N 3.33Å; A173-L177 VanDerWaalsContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CB 3.04Å; A173-L177 PolarHBondContact O-N 2.99Å; A173-L177 VanDerWaalsContact O-N 3.1Å; A173-V258 HydrophobicContact CB-CG2 3.79Å |
| 174 | I | 88.2 | Confident | 79.8 | Confident | 91 Ų | 91 | 62.7 Ų | 62.7 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 172.1 | -69 | 168.6 | 0 | 0 | 0 | 111.1 | L170 K172 L177 A178 V258 | L170-I174 HydrophobicContact CD1-CD1 4.09Å; L170-I174 HydrophobicContact CD1-CG1 4.41Å; L170-I174 HydrophobicContact CG-CD1 3.85Å; L170-I174 WeakPolarHBondContact O-CB 3.49Å; L170-I174 WeakPolarHBondContact O-CG1 3.33Å; L170-I174 PolarHBondContact O-N 3.21Å; K172-I174 VanDerWaalsContact C-N 3.33Å; K172-I174 PolarHBondContact O-N 2.96Å; I174-L177 PolarHBondContact O-N 3.45Å; I174-A178 VanDerWaalsContact O-CB 3.23Å; I174-A178 WeakPolarHBondContact O-CB 3.29Å; I174-A178 PolarHBondContact O-N 2.9Å; I174-V258 HydrophobicContact CG1-CG2 4.17Å |
| 175 | H | 84.1 | Confident | 78.2 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 177.9 | 173.6 | -85.7 | 0 | 0 | 0 | 111.7 | G171 K172 L177 A178 T179 | G171-H175 VanDerWaalsContact O-CB 3.28Å; G171-H175 WeakPolarHBondContact O-CB 3.5Å; G171-H175 PolarHBondContact O-N 3.41Å; K172-H175 WeakPolarHBondContact O-CB 3.47Å; K172-H175 PolarHBondContact O-N 3.35Å; K172-H175 VanDerWaalsContact O-N 3.08Å; H175-L177 VanDerWaalsContact C-N 3.33Å; H175-L177 PolarHBondContact O-N 3.35Å; H175-A178 PolarHBondContact O-N 3.31Å; H175-T179 WeakPolarHBondContact O-CB 3.05Å; H175-T179 WeakPolarHBondContact O-CG2 3.24Å; H175-T179 PolarHBondContact O-N 2.88Å; H175-T179 PolarHBondContact O-OG1 3.08Å |
| 176 | D | 78.4 | Confident | 77.1 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | -179.8 | -59.4 | -15.1 | 0 | 0 | 0 | 110.9 | K172 T179 R180 M181 | K172-D176 VanDerWaalsContact CG-OD2 3.31Å; K172-D176 WeakPolarHBondContact CG-OD2 3.47Å; K172-D176 IonicContact NZ-OD1 3.29Å; K172-D176 IonicContact NZ-OD2 2.86Å; K172-D176 PolarHBondContact NZ-OD2 3.37Å; K172-D176 PolarHBondContact O-N 3.49Å; D176-T179 PolarHBondContact O-OG1 3.12Å; D176-R180 PolarHBondContact O-N 3.49Å; D176-M181 HydrophobicContact CB-CE 4.36Å; D176-M181 PolarHBondContact O-N 3.24Å; D176-M181 WeakPolarHBondContact OD1-CE 3.44Å |
| 177 | L | 82.6 | Confident | 76.1 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 37% | 0.366 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66 | -39.5 | 173.7 | -172.5 | 68.3 | 0 | 0 | 0 | 112.8 | A173 I174 H175 W250 F251 | A173-L177 VanDerWaalsContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CB 3.04Å; A173-L177 PolarHBondContact O-N 2.99Å; A173-L177 VanDerWaalsContact O-N 3.1Å; I174-L177 PolarHBondContact O-N 3.45Å; H175-L177 VanDerWaalsContact C-N 3.33Å; H175-L177 PolarHBondContact O-N 3.35Å; L177-W250 HydrophobicContact CD1-CH2 3.88Å; L177-W250 HydrophobicContact CD1-CZ3 3.83Å; L177-W250 WeakPolarHBondContact O-CH2 3.38Å; L177-W250 VanDerWaalsContact O-CZ3 3.29Å; L177-W250 WeakPolarHBondContact O-CZ3 3.37Å; L177-F251 HydrophobicContact CD1-CB 3.68Å |
| 178 | A | 82.4 | Confident | 75.3 | Confident | 81 Ų | 81 | 68 Ų | 68 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -74.4 | -36.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I174 H175 R180 | I174-A178 VanDerWaalsContact O-CB 3.23Å; I174-A178 WeakPolarHBondContact O-CB 3.29Å; I174-A178 PolarHBondContact O-N 2.9Å; H175-A178 PolarHBondContact O-N 3.31Å; A178-R180 VanDerWaalsContact C-N 3.32Å |
| 179 | T | 78.3 | Confident | 74.6 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 44% | 0.436 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -82.1 | -9.8 | 179.8 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | H175 D176 M181 | H175-T179 WeakPolarHBondContact O-CB 3.05Å; H175-T179 WeakPolarHBondContact O-CG2 3.24Å; H175-T179 PolarHBondContact O-N 2.88Å; H175-T179 PolarHBondContact O-OG1 3.08Å; D176-T179 PolarHBondContact O-OG1 3.12Å; T179-M181 PolarHBondContact O-N 3.41Å; T179-M181 WeakPolarHBondContact OG1-CG 3.4Å |
| 180 | R | 67.5 | Low | 74.4 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 35.7 | -170.6 | -54 | -166.3 | 177 | 169.4 | -1.6 | 112.7 | D176 A178 P182 W250 | D176-R180 PolarHBondContact O-N 3.49Å; A178-R180 VanDerWaalsContact C-N 3.32Å; R180-P182 WeakPolarHBondContact O-CD 3.42Å; R180-P182 VanDerWaalsContact O-N 3.17Å; R180-W250 HydrophobicContact CB-CE3 4.18Å; R180-W250 HydrophobicContact CB-CH2 4.31Å; R180-W250 HydrophobicContact CB-CZ3 4.01Å; R180-W250 HydrophobicContact CG-CE3 4.4Å; R180-W250 HydrophobicContact CG-CH2 3.65Å; R180-W250 HydrophobicContact CG-CZ2 4.02Å; R180-W250 HydrophobicContact CG-CZ3 3.84Å |
| 181 | M | 57.8 | Low | 74.1 | Confident | 69 Ų | 69 | 70.2 Ų | 70.2 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | trans | -61 | 122.9 | 174.4 | -77.6 | -172.4 | -57.7 | 0 | 0 | 107.8 | D176 T179 | D176-M181 HydrophobicContact CB-CE 4.36Å; D176-M181 PolarHBondContact O-N 3.24Å; D176-M181 WeakPolarHBondContact OD1-CE 3.44Å; T179-M181 PolarHBondContact O-N 3.41Å; T179-M181 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 182 | P | 55.5 | Low | 73.9 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | trans | -58.9 | 153.6 | 168.7 | 28.2 | -34 | 0 | 0 | 0 | 108 | R180 E184 F243 | R180-P182 WeakPolarHBondContact O-CD 3.42Å; R180-P182 VanDerWaalsContact O-N 3.17Å; P182-E184 PolarHBondContact O-N 3.36Å; P182-F243 HydrophobicContact CB-CE1 4.46Å; P182-F243 HydrophobicContact CB-CZ 3.94Å | ||
| 183 | P | 54.9 | Low | 73.9 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | trans | -55.5 | 110 | 176.1 | 23.2 | -32.8 | 0 | 0 | 0 | 108.7 | V185 F243 | P183-V185 HydrophobicContact CB-CG1 4.2Å; P183-V185 HydrophobicContact CB-CG2 4.4Å; P183-V185 WeakPolarHBondContact O-CG2 3.32Å; P183-V185 PolarHBondContact O-N 3.19Å; P183-F243 HydrophobicContact CG-CB 4.1Å; P183-F243 HydrophobicContact CG-CD1 3.96Å; P183-F243 HydrophobicContact CG-CD2 4.08Å; P183-F243 HydrophobicContact CG-CE1 4.41Å; P183-F243 HydrophobicContact CG-CG 3.78Å | ||
| 184 | E | 52.8 | Low | 74.1 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | trans | -78.7 | 58.2 | -178.1 | -161.1 | -178.5 | -141.6 | 0 | 0 | 109.2 | S115 P182 D186 | S115-E184 PolarHBondContact OG-OE2 2.81Å; P182-E184 PolarHBondContact O-N 3.36Å; E184-D186 PolarHBondContact O-N 3.44Å | ||
| 185 | V | 58.3 | Low | 74.2 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | trans | -84.4 | 70.1 | -179.6 | -70.1 | 0 | 0 | 0 | 0 | 109.5 | P183 I236 A240 | P183-V185 HydrophobicContact CB-CG1 4.2Å; P183-V185 HydrophobicContact CB-CG2 4.4Å; P183-V185 WeakPolarHBondContact O-CG2 3.32Å; P183-V185 PolarHBondContact O-N 3.19Å; V185-I236 HydrophobicContact CG1-CG2 3.83Å; V185-A240 HydrophobicContact CB-CB 4.31Å; V185-A240 HydrophobicContact CG1-CB 4.12Å; V185-A240 HydrophobicContact CG2-CB 3.88Å | ||
| 186 | D | 65.4 | Low | 74.4 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 22% | 0.219 | 35% | 0.346 | C | S | . | . | trans | -46.4 | 143.3 | 154.6 | -93.2 | -55.6 | 0 | 0 | 0 | 109.4 | R113 E184 F188 L189 Y190 | R113-D186 IonicContact CZ-OD1 3.2Å; R113-D186 IonicContact CZ-OD2 2.79Å; R113-D186 IonicContact NE-OD2 3.5Å; R113-D186 PolarHBondContact NE-OD2 2.81Å; R113-D186 IonicContact NH1-OD1 3.15Å; R113-D186 PolarHBondContact NH1-OD1 3.25Å; R113-D186 IonicContact NH1-OD2 2.8Å; R113-D186 PolarHBondContact NH1-OD2 3.42Å; R113-D186 IonicContact NH2-OD1 2.92Å; R113-D186 PolarHBondContact NH2-OD1 3.08Å; R113-D186 IonicContact NH2-OD2 2.7Å; R113-D186 PolarHBondContact NH2-OD2 2.88Å; E184-D186 PolarHBondContact O-N 3.44Å; D186-F188 CarbonylContact O-C 3.52Å; D186-F188 PolarHBondContact O-N 2.84Å; D186-L189 HydrophobicContact CB-CD1 3.95Å; D186-L189 PolarHBondContact O-N 2.85Å; D186-Y190 PolarHBondContact O-N 3.44Å | ||
| 187 | D | 71.7 | Confident | 75 | Confident | 145 Ų | 145 | 63.1 Ų | 63.1 | 78% | 0.775 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -51.1 | -29.6 | 176.6 | -65.6 | -41.9 | 0 | 0 | 0 | 112.4 | S191 | D187-S191 WeakPolarHBondContact O-CB 2.98Å; D187-S191 PolarHBondContact O-N 3.36Å |
| 188 | F | 74.6 | Confident | 75.5 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 34% | 0.342 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.4 | -51.6 | 172.1 | -178.1 | -89.4 | 0 | 0 | 0 | 113.3 | V109 D186 Y190 S191 V192 | V109-F188 HydrophobicContact CB-CD1 4.05Å; V109-F188 HydrophobicContact CB-CE1 3.65Å; V109-F188 HydrophobicContact CB-CZ 4.16Å; V109-F188 HydrophobicContact CG1-CD1 3.75Å; V109-F188 HydrophobicContact CG1-CE1 3.89Å; V109-F188 HydrophobicContact CG1-CG 4.49Å; V109-F188 HydrophobicContact CG2-CD1 3.79Å; V109-F188 HydrophobicContact CG2-CD2 4.25Å; V109-F188 HydrophobicContact CG2-CE1 3.33Å; V109-F188 HydrophobicContact CG2-CE2 3.85Å; V109-F188 HydrophobicContact CG2-CG 4.22Å; V109-F188 HydrophobicContact CG2-CZ 3.36Å; D186-F188 CarbonylContact O-C 3.52Å; D186-F188 PolarHBondContact O-N 2.84Å; F188-Y190 PolarHBondContact O-N 2.87Å; F188-S191 PolarHBondContact O-N 3.43Å; F188-V192 HydrophobicContact CD1-CG2 4.05Å; F188-V192 HydrophobicContact CD2-CG2 4.42Å; F188-V192 HydrophobicContact CE1-CB 4.35Å; F188-V192 HydrophobicContact CE1-CG2 3.51Å; F188-V192 HydrophobicContact CE2-CG2 3.93Å; F188-V192 HydrophobicContact CG-CG2 4.48Å; F188-V192 HydrophobicContact CZ-CG2 3.45Å; F188-V192 VanDerWaalsContact CZ-CG2 3.45Å; F188-V192 WeakPolarHBondContact O-CB 3.49Å; F188-V192 WeakPolarHBondContact O-CG2 3.3Å; F188-V192 PolarHBondContact O-N 2.69Å |
| 189 | L | 75.2 | Confident | 76 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.8 | -85.8 | 96 | 0 | 0 | 0 | 110.2 | D186 V192 S193 | D186-L189 HydrophobicContact CB-CD1 3.95Å; D186-L189 PolarHBondContact O-N 2.85Å; L189-V192 PolarHBondContact O-N 2.71Å; L189-S193 WeakPolarHBondContact O-CB 3.42Å; L189-S193 PolarHBondContact O-N 3.46Å |
| 190 | Y | 82.8 | Confident | 76.6 | Confident | 72 Ų | 72 | 59 Ų | 59 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -53 | 174.1 | -169.8 | -94 | 0 | 0 | 0 | 111.6 | D186 F188 V192 S193 I194 L237 A240 | D186-Y190 PolarHBondContact O-N 3.44Å; F188-Y190 PolarHBondContact O-N 2.87Å; Y190-V192 PolarHBondContact O-N 2.85Å; Y190-S193 PolarHBondContact O-N 3.09Å; Y190-I194 HydrophobicContact CD1-CD1 3.96Å; Y190-I194 HydrophobicContact CE1-CD1 3.67Å; Y190-I194 WeakPolarHBondContact O-CG1 3.43Å; Y190-I194 PolarHBondContact O-N 3.37Å; Y190-I194 VanDerWaalsContact O-N 3.08Å; Y190-L237 HydrophobicContact CD1-CD2 4.34Å; Y190-L237 HydrophobicContact CD2-CD2 3.58Å; Y190-L237 HydrophobicContact CE1-CD2 4.32Å; Y190-L237 HydrophobicContact CE2-CD2 3.55Å; Y190-L237 HydrophobicContact CG-CD2 3.99Å; Y190-A240 HydrophobicContact CD2-CB 3.98Å; Y190-A240 HydrophobicContact CE2-CB 3.98Å |
| 191 | S | 85 | Confident | 77.9 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 47% | 0.469 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.9 | -174.3 | 0 | 0 | 0 | 0 | 113 | D187 F188 I194 V195 | D187-S191 WeakPolarHBondContact O-CB 2.98Å; D187-S191 PolarHBondContact O-N 3.36Å; F188-S191 PolarHBondContact O-N 3.43Å; S191-I194 PolarHBondContact O-N 3.47Å; S191-V195 WeakPolarHBondContact O-CG2 3.31Å; S191-V195 PolarHBondContact O-N 2.83Å |
| 192 | V | 84.1 | Confident | 79.6 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -35.6 | 178.5 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | F121 F188 L189 Y190 V195 S196 | F121-V192 HydrophobicContact CD1-CG1 4.33Å; F121-V192 HydrophobicContact CE1-CG1 3.48Å; F121-V192 VanDerWaalsContact CE1-CG1 3.48Å; F121-V192 HydrophobicContact CE2-CG1 4.16Å; F121-V192 HydrophobicContact CZ-CG1 3.37Å; F188-V192 HydrophobicContact CD1-CG2 4.05Å; F188-V192 HydrophobicContact CD2-CG2 4.42Å; F188-V192 HydrophobicContact CE1-CB 4.35Å; F188-V192 HydrophobicContact CE1-CG2 3.51Å; F188-V192 HydrophobicContact CE2-CG2 3.93Å; F188-V192 HydrophobicContact CG-CG2 4.48Å; F188-V192 HydrophobicContact CZ-CG2 3.45Å; F188-V192 VanDerWaalsContact CZ-CG2 3.45Å; F188-V192 WeakPolarHBondContact O-CB 3.49Å; F188-V192 WeakPolarHBondContact O-CG2 3.3Å; F188-V192 PolarHBondContact O-N 2.69Å; L189-V192 PolarHBondContact O-N 2.71Å; Y190-V192 PolarHBondContact O-N 2.85Å; V192-V195 PolarHBondContact O-N 3.29Å; V192-S196 WeakPolarHBondContact O-CB 3.2Å; V192-S196 PolarHBondContact O-N 3.06Å |
| 193 | S | 86.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.6 | -34.5 | 176.1 | -151.1 | 0 | 0 | 0 | 0 | 112.4 | L189 Y190 G197 G233 | L189-S193 WeakPolarHBondContact O-CB 3.42Å; L189-S193 PolarHBondContact O-N 3.46Å; Y190-S193 PolarHBondContact O-N 3.09Å; S193-G197 WeakPolarHBondContact O-CA 3.21Å; S193-G197 PolarHBondContact O-N 2.97Å; S193-G233 VanDerWaalsContact OG-CA 3.25Å; S193-G233 WeakPolarHBondContact OG-CA 3.28Å; S193-G233 PolarHBondContact OG-O 3.02Å |
| 194 | I | 90.1 | Very high | 83.2 | Confident | 64 Ų | 64 | 49.2 Ų | 49.2 | 33% | 0.328 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -55 | 169.7 | -64.3 | 171.1 | 0 | 0 | 0 | 110.7 | Y190 S191 S196 G197 L198 L237 | Y190-I194 HydrophobicContact CD1-CD1 3.96Å; Y190-I194 HydrophobicContact CE1-CD1 3.67Å; Y190-I194 WeakPolarHBondContact O-CG1 3.43Å; Y190-I194 PolarHBondContact O-N 3.37Å; Y190-I194 VanDerWaalsContact O-N 3.08Å; S191-I194 PolarHBondContact O-N 3.47Å; I194-S196 VanDerWaalsContact C-N 3.35Å; I194-S196 PolarHBondContact O-N 3.5Å; I194-G197 PolarHBondContact O-N 3.48Å; I194-L198 HydrophobicContact CG2-CD1 3.87Å; I194-L198 WeakPolarHBondContact O-CB 3.25Å; I194-L198 WeakPolarHBondContact O-CG 3.45Å; I194-L198 PolarHBondContact O-N 3.1Å; I194-L198 VanDerWaalsContact O-N 3.07Å; I194-L237 HydrophobicContact CB-CD1 4.4Å; I194-L237 HydrophobicContact CD1-CD2 4.41Å; I194-L237 HydrophobicContact CG1-CD1 3.69Å; I194-L237 HydrophobicContact CG1-CD2 3.63Å; I194-L237 HydrophobicContact CG1-CG 4.32Å |
| 195 | V | 90.8 | Very high | 85.1 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | -174.9 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L102 S191 V192 S199 | L102-V195 HydrophobicContact CD2-CG1 4.31Å; S191-V195 WeakPolarHBondContact O-CG2 3.31Å; S191-V195 PolarHBondContact O-N 2.83Å; V192-V195 PolarHBondContact O-N 3.29Å; V195-S199 WeakPolarHBondContact O-CB 3.44Å; V195-S199 PolarHBondContact O-N 3.24Å; V195-S199 PolarHBondContact O-OG 3.42Å |
| 196 | S | 88.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -48.4 | 177.2 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | F121 V192 I194 L198 S199 C200 | F121-S196 VanDerWaalsContact CZ-CB 3.45Å; F121-S196 WeakPolarHBondContact CZ-OG 3.3Å; V192-S196 WeakPolarHBondContact O-CB 3.2Å; V192-S196 PolarHBondContact O-N 3.06Å; I194-S196 VanDerWaalsContact C-N 3.35Å; I194-S196 PolarHBondContact O-N 3.5Å; S196-L198 VanDerWaalsContact C-N 3.3Å; S196-L198 PolarHBondContact O-N 3.39Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S196-C200 WeakPolarHBondContact O-CB 3.25Å; S196-C200 PolarHBondContact O-N 3.42Å; S196-C200 PolarHBondContact O-SG 2.94Å; S196-C200 VanDerWaalsContact O-SG 3.35Å |
| 197 | G | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.9 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | S193 I194 A201 F234 | S193-G197 WeakPolarHBondContact O-CA 3.21Å; S193-G197 PolarHBondContact O-N 2.97Å; I194-G197 PolarHBondContact O-N 3.48Å; G197-A201 WeakPolarHBondContact O-CB 3.35Å; G197-A201 PolarHBondContact O-N 3.1Å; G197-F234 WeakPolarHBondContact O-CE2 3.4Å |
| 198 | L | 93.9 | Very high | 88.8 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67 | -46.8 | 174.7 | -69.4 | 170.3 | 0 | 0 | 0 | 112.5 | I194 S196 A201 V202 F234 | I194-L198 HydrophobicContact CG2-CD1 3.87Å; I194-L198 WeakPolarHBondContact O-CB 3.25Å; I194-L198 WeakPolarHBondContact O-CG 3.45Å; I194-L198 PolarHBondContact O-N 3.1Å; I194-L198 VanDerWaalsContact O-N 3.07Å; S196-L198 VanDerWaalsContact C-N 3.3Å; S196-L198 PolarHBondContact O-N 3.39Å; L198-A201 PolarHBondContact O-N 3.1Å; L198-V202 WeakPolarHBondContact O-CG2 3.33Å; L198-V202 PolarHBondContact O-N 3.03Å; L198-F234 HydrophobicContact CD2-CZ 4.16Å; L198-F234 HydrophobicContact CG-CZ 4.48Å |
| 199 | S | 91.9 | Very high | 89.4 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -49.2 | -178.8 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | V195 S196 A201 V202 L203 | V195-S199 WeakPolarHBondContact O-CB 3.44Å; V195-S199 PolarHBondContact O-N 3.24Å; V195-S199 PolarHBondContact O-OG 3.42Å; S196-S199 PolarHBondContact O-N 3.42Å; S196-S199 VanDerWaalsContact O-N 3.12Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-A201 PolarHBondContact O-N 3.46Å; S199-V202 PolarHBondContact O-N 3.21Å; S199-L203 WeakPolarHBondContact O-CB 3.47Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.3Å; S199-L203 PolarHBondContact O-N 2.83Å |
| 200 | C | 91.9 | Very high | 89.8 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 178.1 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | S196 A204 S226 A230 | S196-C200 WeakPolarHBondContact O-CB 3.25Å; S196-C200 PolarHBondContact O-N 3.42Å; S196-C200 PolarHBondContact O-SG 2.94Å; S196-C200 VanDerWaalsContact O-SG 3.35Å; C200-A204 WeakPolarHBondContact O-CB 3.25Å; C200-A204 PolarHBondContact O-N 2.97Å; C200-S226 WeakPolarHBondContact CB-O 3.36Å; C200-A230 HydrophobicContact CB-CB 3.95Å |
| 201 | A | 94.2 | Very high | 89.8 | Confident | 32 Ų | 32 | 40 Ų | 40 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G197 L198 S199 A204 V205 A230 F234 | G197-A201 WeakPolarHBondContact O-CB 3.35Å; G197-A201 PolarHBondContact O-N 3.1Å; L198-A201 PolarHBondContact O-N 3.1Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-A201 PolarHBondContact O-N 3.46Å; A201-A204 PolarHBondContact O-N 2.89Å; A201-V205 WeakPolarHBondContact O-CG2 3.35Å; A201-V205 PolarHBondContact O-N 2.93Å; A201-V205 VanDerWaalsContact O-N 3.08Å; A201-A230 HydrophobicContact CB-CB 4.02Å; A201-F234 HydrophobicContact CB-CE2 4.29Å |
| 202 | V | 94.3 | Very high | 89.7 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.7 | -43.7 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L198 S199 V205 A206 | L198-V202 WeakPolarHBondContact O-CG2 3.33Å; L198-V202 PolarHBondContact O-N 3.03Å; S199-V202 PolarHBondContact O-N 3.21Å; V202-V205 PolarHBondContact O-N 3.19Å; V202-A206 WeakPolarHBondContact O-CB 3.39Å; V202-A206 PolarHBondContact O-N 3.28Å |
| 203 | L | 91.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.9 | -71.2 | 170 | 0 | 0 | 0 | 111.8 | V98 T99 S199 V205 A206 K207 | V98-L203 HydrophobicContact CB-CD1 4.29Å; V98-L203 HydrophobicContact CG1-CD1 4.06Å; T99-L203 HydrophobicContact CG2-CD1 4.17Å; S199-L203 WeakPolarHBondContact O-CB 3.47Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.3Å; S199-L203 PolarHBondContact O-N 2.83Å; L203-V205 PolarHBondContact O-N 2.93Å; L203-A206 PolarHBondContact O-N 2.89Å; L203-K207 VanDerWaalsContact O-CB 3.3Å; L203-K207 WeakPolarHBondContact O-CB 3.41Å; L203-K207 VanDerWaalsContact O-CG 3.27Å; L203-K207 WeakPolarHBondContact O-CG 3.48Å; L203-K207 PolarHBondContact O-N 3.39Å |
| 204 | A | 93.3 | Very high | 89 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | C200 A201 A206 K207 F208 M227 | C200-A204 WeakPolarHBondContact O-CB 3.25Å; C200-A204 PolarHBondContact O-N 2.97Å; A201-A204 PolarHBondContact O-N 2.89Å; A204-A206 PolarHBondContact O-N 2.84Å; A204-K207 PolarHBondContact O-N 3.37Å; A204-F208 HydrophobicContact CB-CD2 4.48Å; A204-F208 HydrophobicContact CB-CE2 4.35Å; A204-F208 WeakPolarHBondContact O-CB 3.3Å; A204-F208 WeakPolarHBondContact O-CD2 3.39Å; A204-F208 WeakPolarHBondContact O-CG 3.39Å; A204-F208 PolarHBondContact O-N 2.8Å; A204-M227 HydrophobicContact CB-CB 3.95Å |
| 205 | V | 94.1 | Very high | 88.5 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 53% | 0.527 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | A201 V202 L203 F208 M209 | A201-V205 WeakPolarHBondContact O-CG2 3.35Å; A201-V205 PolarHBondContact O-N 2.93Å; A201-V205 VanDerWaalsContact O-N 3.08Å; V202-V205 PolarHBondContact O-N 3.19Å; L203-V205 PolarHBondContact O-N 2.93Å; V205-F208 PolarHBondContact O-N 3.2Å; V205-M209 HydrophobicContact CG1-CG 4.41Å; V205-M209 HydrophobicContact CG1-SD 3.94Å; V205-M209 WeakPolarHBondContact O-CB 3.39Å; V205-M209 VanDerWaalsContact O-CG 3.27Å; V205-M209 WeakPolarHBondContact O-CG 3.41Å; V205-M209 PolarHBondContact O-N 3.42Å |
| 206 | A | 90.3 | Very high | 88.1 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V91 V202 L203 A204 M209 L210 | V91-A206 HydrophobicContact CG1-CB 4.08Å; V202-A206 WeakPolarHBondContact O-CB 3.39Å; V202-A206 PolarHBondContact O-N 3.28Å; L203-A206 PolarHBondContact O-N 2.89Å; A204-A206 PolarHBondContact O-N 2.84Å; A206-M209 PolarHBondContact O-N 3.49Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 WeakPolarHBondContact O-CG 3.25Å; A206-L210 PolarHBondContact O-N 3.05Å |
| 207 | K | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 176.7 | -73.6 | 177.1 | 177.5 | -174.2 | 0 | 111.4 | V91 S95 D128 S132 L203 A204 L210 G211 L219 D222 G223 S226 | V91-K207 HydrophobicContact CG1-CG 4.37Å; S95-K207 WeakPolarHBondContact OG-CE 3.45Å; S95-K207 PolarHBondContact OG-NZ 3.45Å; D128-K207 IonicContact OD1-NZ 3.94Å; D128-K207 PolarHBondContact OD1-NZ 3.28Å; D128-K207 IonicContact OD2-NZ 3.36Å; D128-K207 PolarHBondContact OD2-NZ 2.94Å; D128-K207 VanDerWaalsContact OD2-NZ 3.15Å; S132-K207 PolarHBondContact OG-NZ 3.46Å; L203-K207 VanDerWaalsContact O-CB 3.3Å; L203-K207 WeakPolarHBondContact O-CB 3.41Å; L203-K207 VanDerWaalsContact O-CG 3.27Å; L203-K207 WeakPolarHBondContact O-CG 3.48Å; L203-K207 PolarHBondContact O-N 3.39Å; A204-K207 PolarHBondContact O-N 3.37Å; K207-L210 PolarHBondContact O-N 2.82Å; K207-G211 WeakPolarHBondContact O-CA 3.38Å; K207-G211 PolarHBondContact O-N 2.92Å; K207-L219 HydrophobicContact CB-CD1 4.31Å; K207-L219 HydrophobicContact CG-CD1 4.29Å; K207-D222 HydrophobicContact CD-CB 4.44Å; K207-D222 VanDerWaalsContact CD-OD2 3.31Å; K207-D222 WeakPolarHBondContact CD-OD2 3.36Å; K207-D222 WeakPolarHBondContact CE-OD2 3.35Å; K207-D222 IonicContact NZ-OD1 2.83Å; K207-D222 PolarHBondContact NZ-OD1 3.31Å; K207-D222 IonicContact NZ-OD2 3.77Å; K207-D222 PolarHBondContact NZ-OD2 3.49Å; K207-G223 VanDerWaalsContact CB-CA 3.46Å; K207-S226 WeakPolarHBondContact CE-OG 3.33Å; K207-S226 PolarHBondContact NZ-OG 2.91Å |
| 208 | F | 91.1 | Very high | 87.9 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 23% | 0.232 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.4 | -73.7 | -45.5 | 0 | 0 | 0 | 113.1 | A204 V205 G211 K212 I220 G223 F224 M227 | A204-F208 HydrophobicContact CB-CD2 4.48Å; A204-F208 HydrophobicContact CB-CE2 4.35Å; A204-F208 WeakPolarHBondContact O-CB 3.3Å; A204-F208 WeakPolarHBondContact O-CD2 3.39Å; A204-F208 WeakPolarHBondContact O-CG 3.39Å; A204-F208 PolarHBondContact O-N 2.8Å; V205-F208 PolarHBondContact O-N 3.2Å; F208-G211 PolarHBondContact O-N 3.41Å; F208-K212 WeakPolarHBondContact O-CB 3.35Å; F208-K212 WeakPolarHBondContact O-CG 3.25Å; F208-K212 PolarHBondContact O-N 2.98Å; F208-I220 HydrophobicContact CD1-CG2 4.35Å; F208-I220 HydrophobicContact CE1-CG2 4.3Å; F208-I220 WeakPolarHBondContact CE1-O 3.4Å; F208-G223 VanDerWaalsContact CZ-C 3.49Å; F208-F224 HydrophobicContact CE1-CB 4.21Å; F208-F224 HydrophobicContact CZ-CB 4.17Å; F208-M227 HydrophobicContact CE2-CB 3.98Å; F208-M227 HydrophobicContact CE2-CG 4.28Å; F208-M227 HydrophobicContact CE2-SD 3.76Å; F208-M227 HydrophobicContact CZ-CB 4.17Å; F208-M227 HydrophobicContact CZ-CE 4.44Å; F208-M227 HydrophobicContact CZ-SD 3.93Å |
| 209 | M | 87.5 | Confident | 87.6 | Confident | 128 Ų | 128 | 45.2 Ų | 45.2 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.7 | -44.5 | 177 | -74.6 | 179.9 | 73.2 | 0 | 0 | 111.3 | V205 A206 K213 | V205-M209 HydrophobicContact CG1-CG 4.41Å; V205-M209 HydrophobicContact CG1-SD 3.94Å; V205-M209 WeakPolarHBondContact O-CB 3.39Å; V205-M209 VanDerWaalsContact O-CG 3.27Å; V205-M209 WeakPolarHBondContact O-CG 3.41Å; V205-M209 PolarHBondContact O-N 3.42Å; A206-M209 PolarHBondContact O-N 3.49Å; M209-K213 WeakPolarHBondContact O-CB 3.29Å; M209-K213 VanDerWaalsContact O-CG 3.27Å; M209-K213 WeakPolarHBondContact O-CG 3.49Å; M209-K213 PolarHBondContact O-N 3.44Å; M209-K213 VanDerWaalsContact O-N 3.07Å |
| 210 | L | 83.8 | Confident | 87.5 | Confident | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 175.4 | -75.5 | 160.2 | 0 | 0 | 0 | 111.8 | K87 V91 A206 K207 K212 K213 L214 L219 | K87-L210 HydrophobicContact CB-CD2 3.87Å; V91-L210 HydrophobicContact CB-CD1 3.63Å; V91-L210 HydrophobicContact CG1-CD1 3.88Å; V91-L210 HydrophobicContact CG2-CD1 3.57Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 WeakPolarHBondContact O-CG 3.25Å; A206-L210 PolarHBondContact O-N 3.05Å; K207-L210 PolarHBondContact O-N 2.82Å; L210-K212 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 2.94Å; L210-K213 CarbonylContact O-C 3.57Å; L210-K213 PolarHBondContact O-N 2.92Å; L210-K213 VanDerWaalsContact O-N 3.11Å; L210-L214 VanDerWaalsContact O-CB 3.31Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 PolarHBondContact O-N 3.39Å; L210-L219 HydrophobicContact CB-CD2 3.7Å |
| 211 | G | 83 | Confident | 87.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | K207 F208 T215 S216 | K207-G211 WeakPolarHBondContact O-CA 3.38Å; K207-G211 PolarHBondContact O-N 2.92Å; F208-G211 PolarHBondContact O-N 3.41Å; G211-T215 CarbonylContact O-C 3.46Å; G211-T215 VanDerWaalsContact O-CA 3.27Å; G211-T215 WeakPolarHBondContact O-CA 3.35Å; G211-T215 PolarHBondContact O-N 2.99Å; G211-S216 PolarHBondContact O-N 3.29Å |
| 212 | K | 83.2 | Confident | 87.3 | Confident | 164 Ų | 164 | 44.2 Ų | 44.2 | 71% | 0.713 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -70.4 | -37.9 | 172.8 | -70 | -177.6 | 71.9 | 165.3 | 0 | 112.8 | F208 L210 | F208-K212 WeakPolarHBondContact O-CB 3.35Å; F208-K212 WeakPolarHBondContact O-CG 3.25Å; F208-K212 PolarHBondContact O-N 2.98Å; L210-K212 VanDerWaalsContact C-N 3.33Å; L210-K212 PolarHBondContact O-N 2.94Å |
| 213 | K | 79.4 | Confident | 87.2 | Confident | 131 Ų | 131 | 39.2 Ų | 39.2 | 57% | 0.57 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -73.2 | -28.3 | 178.1 | -74 | -71.5 | -176 | -179.7 | 0 | 113.8 | Y84 M209 L210 | Y84-K213 HydrophobicContact CE1-CB 4.46Å; M209-K213 WeakPolarHBondContact O-CB 3.29Å; M209-K213 VanDerWaalsContact O-CG 3.27Å; M209-K213 WeakPolarHBondContact O-CG 3.49Å; M209-K213 PolarHBondContact O-N 3.44Å; M209-K213 VanDerWaalsContact O-N 3.07Å; L210-K213 CarbonylContact O-C 3.57Å; L210-K213 PolarHBondContact O-N 2.92Å; L210-K213 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 75.6 | Confident | 87.3 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.8 | 177.6 | -74 | 164.5 | 0 | 0 | 0 | 113.4 | A88 L210 S216 L219 | A88-L214 HydrophobicContact CB-CD1 3.52Å; L210-L214 VanDerWaalsContact O-CB 3.31Å; L210-L214 WeakPolarHBondContact O-CB 3.34Å; L210-L214 PolarHBondContact O-N 3.39Å; L214-S216 PolarHBondContact O-N 3.16Å; L214-S216 VanDerWaalsContact O-N 3.07Å; L214-L219 HydrophobicContact CD1-CD2 4.08Å |
| 215 | T | 79.4 | Confident | 87.3 | Confident | 59 Ų | 59 | 40 Ų | 40 | 36% | 0.362 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42 | 42.1 | -174.2 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | S72 G211 | S72-T215 WeakPolarHBondContact CB-OG1 3.47Å; S72-T215 WeakPolarHBondContact OG-CG2 3.43Å; S72-T215 PolarHBondContact OG-OG1 2.98Å; G211-T215 CarbonylContact O-C 3.46Å; G211-T215 VanDerWaalsContact O-CA 3.27Å; G211-T215 WeakPolarHBondContact O-CA 3.35Å; G211-T215 PolarHBondContact O-N 2.99Å |
| 216 | S | 81.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -102.9 | 117.8 | -175.3 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | R138 Y139 E151 G211 L214 A218 L219 I220 | R138-S216 PolarHBondContact NE-OG 3.32Å; Y139-S216 WeakPolarHBondContact OH-CB 3.42Å; Y139-S216 PolarHBondContact OH-OG 2.97Å; E151-S216 VanDerWaalsContact OE1-C 3.27Å; E151-S216 WeakPolarHBondContact OE1-CA 3.06Å; E151-S216 VanDerWaalsContact OE1-CB 3.3Å; E151-S216 WeakPolarHBondContact OE1-CB 3.42Å; E151-S216 PolarHBondContact OE1-OG 3.49Å; E151-S216 PolarHBondContact OE2-OG 2.93Å; G211-S216 PolarHBondContact O-N 3.29Å; L214-S216 PolarHBondContact O-N 3.16Å; L214-S216 VanDerWaalsContact O-N 3.07Å; S216-A218 VanDerWaalsContact C-N 3.32Å; S216-A218 PolarHBondContact O-N 3.44Å; S216-L219 PolarHBondContact O-N 2.84Å; S216-L219 PolarHBondContact OG-N 2.94Å; S216-I220 VanDerWaalsContact O-CG1 3.26Å; S216-I220 WeakPolarHBondContact O-CG1 3.21Å; S216-I220 PolarHBondContact O-N 3.28Å | ||
| 217 | R | 86.6 | Confident | 87.4 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 176.2 | -70.8 | -179 | 66.9 | 147.2 | -1 | 111.1 | D65 E151 I220 T221 D274 M275 | D65-R217 IonicContact OD2-NH1 2.83Å; D65-R217 PolarHBondContact OD2-NH1 3.48Å; E151-R217 PolarHBondContact OE1-N 3.33Å; R217-I220 PolarHBondContact O-N 3.02Å; R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 PolarHBondContact O-N 3.4Å; R217-T221 PolarHBondContact O-OG1 2.94Å; R217-D274 IonicContact CZ-OD2 3Å; R217-D274 IonicContact NH1-OD2 3.38Å; R217-D274 IonicContact NH2-OD2 3.37Å; R217-D274 PolarHBondContact NH2-OD2 3.36Å; R217-M275 VanDerWaalsContact CZ-CE 3.41Å |
| 218 | A | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | V135 E151 A154 L158 S216 T221 D222 | V135-A218 HydrophobicContact CG2-CB 4.21Å; E151-A218 PolarHBondContact OE1-N 2.96Å; E151-A218 WeakPolarHBondContact OE2-CB 3.31Å; A154-A218 HydrophobicContact CB-CB 4.04Å; L158-A218 HydrophobicContact CD1-CB 3.88Å; S216-A218 VanDerWaalsContact C-N 3.32Å; S216-A218 PolarHBondContact O-N 3.44Å; A218-T221 WeakPolarHBondContact O-CB 3.3Å; A218-T221 PolarHBondContact O-N 2.95Å; A218-D222 WeakPolarHBondContact O-CB 3.44Å; A218-D222 PolarHBondContact O-N 2.85Å |
| 219 | L | 87.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.9 | -29.8 | 178.4 | -176.8 | 58.6 | 0 | 0 | 0 | 112.8 | A88 V135 K207 L210 L214 S216 G223 | A88-L219 HydrophobicContact CB-CD2 4.04Å; V135-L219 HydrophobicContact CG1-CB 4.28Å; V135-L219 HydrophobicContact CG1-CD1 3.88Å; K207-L219 HydrophobicContact CB-CD1 4.31Å; K207-L219 HydrophobicContact CG-CD1 4.29Å; L210-L219 HydrophobicContact CB-CD2 3.7Å; L214-L219 HydrophobicContact CD1-CD2 4.08Å; S216-L219 PolarHBondContact O-N 2.84Å; S216-L219 PolarHBondContact OG-N 2.94Å; L219-G223 PolarHBondContact O-N 3.02Å |
| 220 | I | 90.8 | Very high | 87.5 | Confident | 52 Ų | 52 | 29.3 Ų | 29.3 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 169.6 | -68.9 | 167.4 | 0 | 0 | 0 | 110.9 | F208 S216 R217 G223 F224 | F208-I220 HydrophobicContact CD1-CG2 4.35Å; F208-I220 HydrophobicContact CE1-CG2 4.3Å; F208-I220 WeakPolarHBondContact CE1-O 3.4Å; S216-I220 VanDerWaalsContact O-CG1 3.26Å; S216-I220 WeakPolarHBondContact O-CG1 3.21Å; S216-I220 PolarHBondContact O-N 3.28Å; R217-I220 PolarHBondContact O-N 3.02Å; I220-G223 PolarHBondContact O-N 3.07Å; I220-F224 PolarHBondContact O-N 3.05Å |
| 221 | T | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | L158 F162 R217 A218 G223 F224 N225 Y267 L271 | L158-T221 HydrophobicContact CB-CG2 3.89Å; L158-T221 HydrophobicContact CD1-CG2 4.06Å; L158-T221 HydrophobicContact CG-CG2 4.4Å; F162-T221 HydrophobicContact CD2-CG2 4.48Å; F162-T221 HydrophobicContact CE1-CG2 4.08Å; F162-T221 HydrophobicContact CE2-CG2 3.79Å; F162-T221 HydrophobicContact CZ-CG2 3.58Å; F162-T221 WeakPolarHBondContact CZ-O 3.5Å; R217-T221 WeakPolarHBondContact O-CB 3.41Å; R217-T221 PolarHBondContact O-N 3.4Å; R217-T221 PolarHBondContact O-OG1 2.94Å; A218-T221 WeakPolarHBondContact O-CB 3.3Å; A218-T221 PolarHBondContact O-N 2.95Å; T221-G223 VanDerWaalsContact C-N 3.35Å; T221-G223 PolarHBondContact O-N 3.3Å; T221-F224 WeakPolarHBondContact O-CB 3.41Å; T221-F224 PolarHBondContact O-N 3.39Å; T221-F224 VanDerWaalsContact O-N 3.14Å; T221-N225 PolarHBondContact O-N 3.01Å; T221-Y267 HydrophobicContact CG2-CE1 4.05Å; T221-Y267 PolarHBondContact OG1-OH 2.89Å; T221-L271 HydrophobicContact CG2-CD2 3.77Å |
| 222 | D | 91 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 174.4 | -179.9 | 42.2 | 0 | 0 | 0 | 112.4 | S131 S132 V135 K207 A218 F224 N225 S226 | S131-D222 WeakPolarHBondContact CB-OD1 3.48Å; S131-D222 PolarHBondContact OG-OD1 2.71Å; S132-D222 PolarHBondContact N-OD1 3Å; S132-D222 PolarHBondContact OG-OD1 3.17Å; V135-D222 HydrophobicContact CG2-CB 3.65Å; K207-D222 HydrophobicContact CD-CB 4.44Å; K207-D222 VanDerWaalsContact CD-OD2 3.31Å; K207-D222 WeakPolarHBondContact CD-OD2 3.36Å; K207-D222 WeakPolarHBondContact CE-OD2 3.35Å; K207-D222 IonicContact NZ-OD1 2.83Å; K207-D222 PolarHBondContact NZ-OD1 3.31Å; K207-D222 IonicContact NZ-OD2 3.77Å; K207-D222 PolarHBondContact NZ-OD2 3.49Å; A218-D222 WeakPolarHBondContact O-CB 3.44Å; A218-D222 PolarHBondContact O-N 2.85Å; D222-F224 VanDerWaalsContact C-N 3.33Å; D222-F224 PolarHBondContact O-N 2.95Å; D222-N225 WeakPolarHBondContact O-CB 3.41Å; D222-N225 PolarHBondContact O-N 3.31Å; D222-S226 PolarHBondContact O-N 3.32Å; D222-S226 PolarHBondContact O-OG 3.5Å |
| 223 | G | 91.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -35.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K207 F208 L219 I220 T221 S226 M227 | K207-G223 VanDerWaalsContact CB-CA 3.46Å; F208-G223 VanDerWaalsContact CZ-C 3.49Å; L219-G223 PolarHBondContact O-N 3.02Å; I220-G223 PolarHBondContact O-N 3.07Å; T221-G223 VanDerWaalsContact C-N 3.35Å; T221-G223 PolarHBondContact O-N 3.3Å; G223-S226 PolarHBondContact O-N 3.4Å; G223-M227 WeakPolarHBondContact O-CB 3.28Å; G223-M227 PolarHBondContact O-N 3.2Å |
| 224 | F | 93.5 | Very high | 88.8 | Confident | 27 Ų | 27 | 22.9 Ų | 22.9 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 173.4 | -179.9 | -83.4 | 0 | 0 | 0 | 112 | F162 F208 I220 T221 D222 M227 V228 I263 I264 | F162-F224 AromaticContact CE2-CD1 3.54Å; F162-F224 HydrophobicContact CE2-CD1 3.54Å; F162-F224 HydrophobicContact CE2-CE1 4.01Å; F162-F224 AromaticContact CZ-CD1 3.98Å; F162-F224 HydrophobicContact CZ-CD1 3.98Å; F208-F224 HydrophobicContact CE1-CB 4.21Å; F208-F224 HydrophobicContact CZ-CB 4.17Å; I220-F224 PolarHBondContact O-N 3.05Å; T221-F224 WeakPolarHBondContact O-CB 3.41Å; T221-F224 PolarHBondContact O-N 3.39Å; T221-F224 VanDerWaalsContact O-N 3.14Å; D222-F224 VanDerWaalsContact C-N 3.33Å; D222-F224 PolarHBondContact O-N 2.95Å; F224-M227 HydrophobicContact CD2-CE 3.49Å; F224-M227 VanDerWaalsContact CD2-CE 3.49Å; F224-M227 HydrophobicContact CE2-CE 3.63Å; F224-M227 HydrophobicContact CG-CE 4.33Å; F224-M227 WeakPolarHBondContact O-CB 3.12Å; F224-M227 PolarHBondContact O-N 3.42Å; F224-V228 HydrophobicContact CD1-CG2 4.08Å; F224-V228 HydrophobicContact CE1-CG2 3.59Å; F224-V228 HydrophobicContact CZ-CG2 3.94Å; F224-V228 PolarHBondContact O-N 3.48Å; F224-I263 HydrophobicContact CZ-CG2 4.1Å; F224-I264 HydrophobicContact CE1-CG1 4.21Å |
| 225 | N | 92.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.032 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 173.8 | -165.4 | 90.8 | 0 | 0 | 0 | 111.2 | D128 F162 T221 D222 M227 V228 G229 | D128-N225 VanDerWaalsContact CA-ND2 3.25Å; D128-N225 WeakPolarHBondContact CA-ND2 3.42Å; D128-N225 VanDerWaalsContact CB-ND2 3.3Å; D128-N225 WeakPolarHBondContact CB-ND2 3.27Å; D128-N225 PolarHBondContact N-ND2 3.12Å; D128-N225 PolarHBondContact OD1-ND2 3.04Å; F162-N225 HydrophobicContact CE1-CB 3.92Å; F162-N225 WeakPolarHBondContact CE1-OD1 3.27Å; F162-N225 HydrophobicContact CZ-CB 3.9Å; T221-N225 PolarHBondContact O-N 3.01Å; D222-N225 WeakPolarHBondContact O-CB 3.41Å; D222-N225 PolarHBondContact O-N 3.31Å; N225-M227 VanDerWaalsContact C-N 3.27Å; N225-M227 PolarHBondContact O-N 2.87Å; N225-V228 WeakPolarHBondContact O-CB 3.24Å; N225-V228 PolarHBondContact O-N 2.83Å; N225-V228 VanDerWaalsContact O-N 3.15Å; N225-G229 PolarHBondContact O-N 2.8Å |
| 226 | S | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -31.5 | 177.9 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | D128 C200 K207 D222 G223 G229 A230 | D128-S226 WeakPolarHBondContact OD1-CA 3.33Å; D128-S226 WeakPolarHBondContact OD1-CB 3.41Å; D128-S226 PolarHBondContact OD1-N 3.28Å; D128-S226 PolarHBondContact OD1-OG 2.94Å; C200-S226 WeakPolarHBondContact CB-O 3.36Å; K207-S226 WeakPolarHBondContact CE-OG 3.33Å; K207-S226 PolarHBondContact NZ-OG 2.91Å; D222-S226 PolarHBondContact O-N 3.32Å; D222-S226 PolarHBondContact O-OG 3.5Å; G223-S226 PolarHBondContact O-N 3.4Å; S226-G229 PolarHBondContact O-N 2.85Å; S226-A230 WeakPolarHBondContact O-CB 3.43Å; S226-A230 PolarHBondContact O-N 2.7Å |
| 227 | M | 93.8 | Very high | 89.8 | Confident | 60 Ų | 60 | 21.8 Ų | 21.8 | 30% | 0.296 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.2 | -174.4 | -174.5 | 71.2 | 0 | 0 | 111.7 | A204 F208 G223 F224 N225 A230 I231 | A204-M227 HydrophobicContact CB-CB 3.95Å; F208-M227 HydrophobicContact CE2-CB 3.98Å; F208-M227 HydrophobicContact CE2-CG 4.28Å; F208-M227 HydrophobicContact CE2-SD 3.76Å; F208-M227 HydrophobicContact CZ-CB 4.17Å; F208-M227 HydrophobicContact CZ-CE 4.44Å; F208-M227 HydrophobicContact CZ-SD 3.93Å; G223-M227 WeakPolarHBondContact O-CB 3.28Å; G223-M227 PolarHBondContact O-N 3.2Å; F224-M227 HydrophobicContact CD2-CE 3.49Å; F224-M227 VanDerWaalsContact CD2-CE 3.49Å; F224-M227 HydrophobicContact CE2-CE 3.63Å; F224-M227 HydrophobicContact CG-CE 4.33Å; F224-M227 WeakPolarHBondContact O-CB 3.12Å; F224-M227 PolarHBondContact O-N 3.42Å; N225-M227 VanDerWaalsContact C-N 3.27Å; N225-M227 PolarHBondContact O-N 2.87Å; M227-A230 WeakPolarHBondContact O-CB 3.44Å; M227-A230 PolarHBondContact O-N 3.5Å; M227-I231 HydrophobicContact CG-CD1 4.09Å; M227-I231 VanDerWaalsContact O-CG1 3.31Å; M227-I231 WeakPolarHBondContact O-CG1 3.29Å; M227-I231 PolarHBondContact O-N 3.4Å |
| 228 | V | 92.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.03 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 174.3 | 153.9 | 0 | 0 | 0 | 0 | 110.9 | F224 N225 A230 I231 M232 I260 I264 | F224-V228 HydrophobicContact CD1-CG2 4.08Å; F224-V228 HydrophobicContact CE1-CG2 3.59Å; F224-V228 HydrophobicContact CZ-CG2 3.94Å; F224-V228 PolarHBondContact O-N 3.48Å; N225-V228 WeakPolarHBondContact O-CB 3.24Å; N225-V228 PolarHBondContact O-N 2.83Å; N225-V228 VanDerWaalsContact O-N 3.15Å; V228-A230 VanDerWaalsContact C-N 3.27Å; V228-A230 PolarHBondContact O-N 3.47Å; V228-I231 PolarHBondContact O-N 3.24Å; V228-I231 VanDerWaalsContact O-N 3.14Å; V228-M232 HydrophobicContact CG1-CE 3.8Å; V228-M232 HydrophobicContact CG1-SD 4.45Å; V228-M232 WeakPolarHBondContact O-CG 3.19Å; V228-M232 PolarHBondContact O-N 2.84Å; V228-I260 HydrophobicContact CG1-CG2 3.94Å; V228-I260 HydrophobicContact CG2-CG2 4.34Å; V228-I264 HydrophobicContact CG1-CD1 3.6Å; V228-I264 HydrophobicContact CG1-CG1 4.28Å; V228-I264 HydrophobicContact CG2-CD1 4.18Å; V228-I264 HydrophobicContact CG2-CG1 3.95Å |
| 229 | G | 89.8 | Confident | 89.6 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.7 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | D124 N225 S226 G233 | D124-G229 WeakPolarHBondContact OD2-CA 3.11Å; N225-G229 PolarHBondContact O-N 2.8Å; S226-G229 PolarHBondContact O-N 2.85Å; G229-G233 PolarHBondContact O-N 3.14Å |
| 230 | A | 91.8 | Very high | 89.2 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 5% | 0.05 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C200 A201 S226 M227 V228 M232 G233 F234 | C200-A230 HydrophobicContact CB-CB 3.95Å; A201-A230 HydrophobicContact CB-CB 4.02Å; S226-A230 WeakPolarHBondContact O-CB 3.43Å; S226-A230 PolarHBondContact O-N 2.7Å; M227-A230 WeakPolarHBondContact O-CB 3.44Å; M227-A230 PolarHBondContact O-N 3.5Å; V228-A230 VanDerWaalsContact C-N 3.27Å; V228-A230 PolarHBondContact O-N 3.47Å; A230-M232 PolarHBondContact O-N 2.82Å; A230-G233 PolarHBondContact O-N 3.42Å; A230-F234 WeakPolarHBondContact O-CD2 3.38Å; A230-F234 PolarHBondContact O-N 3.32Å |
| 231 | I | 91.3 | Very high | 88.9 | Confident | 69 Ų | 69 | 25.4 Ų | 25.4 | 35% | 0.354 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62 | -43.2 | 178.3 | -68.4 | 163 | 0 | 0 | 0 | 110.9 | M227 V228 F234 S235 I260 | M227-I231 HydrophobicContact CG-CD1 4.09Å; M227-I231 VanDerWaalsContact O-CG1 3.31Å; M227-I231 WeakPolarHBondContact O-CG1 3.29Å; M227-I231 PolarHBondContact O-N 3.4Å; V228-I231 PolarHBondContact O-N 3.24Å; V228-I231 VanDerWaalsContact O-N 3.14Å; I231-F234 PolarHBondContact O-N 2.7Å; I231-S235 WeakPolarHBondContact O-CB 3.25Å; I231-S235 PolarHBondContact O-N 2.86Å; I231-I260 HydrophobicContact CG2-CD1 3.91Å; I231-I260 HydrophobicContact CG2-CG1 4.3Å |
| 232 | M | 87.8 | Confident | 88.5 | Confident | 30 Ų | 30 | 27.8 Ų | 27.8 | 15% | 0.148 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -41.6 | 175.3 | -66.2 | -170.1 | -58.3 | 0 | 0 | 111.4 | D124 I169 V228 A230 F234 S235 I236 I260 | D124-M232 HydrophobicContact CB-CE 4.23Å; D124-M232 WeakPolarHBondContact OD1-CE 3.19Å; D124-M232 WeakPolarHBondContact OD2-CE 3.33Å; I169-M232 HydrophobicContact CD1-CE 4.19Å; I169-M232 HydrophobicContact CD1-SD 4.28Å; I169-M232 HydrophobicContact CG2-SD 4.26Å; V228-M232 HydrophobicContact CG1-CE 3.8Å; V228-M232 HydrophobicContact CG1-SD 4.45Å; V228-M232 WeakPolarHBondContact O-CG 3.19Å; V228-M232 PolarHBondContact O-N 2.84Å; A230-M232 PolarHBondContact O-N 2.82Å; M232-F234 PolarHBondContact O-N 2.87Å; M232-S235 WeakPolarHBondContact O-CB 3.5Å; M232-S235 PolarHBondContact O-N 3.24Å; M232-I236 WeakPolarHBondContact O-CG1 3.3Å; M232-I236 PolarHBondContact O-N 3.46Å; M232-I236 VanDerWaalsContact O-N 3.1Å; M232-I260 HydrophobicContact CG-CG2 4.29Å; M232-I260 HydrophobicContact SD-CG2 4.22Å |
| 233 | G | 87.8 | Confident | 88 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S193 G229 A230 L237 | S193-G233 VanDerWaalsContact OG-CA 3.25Å; S193-G233 WeakPolarHBondContact OG-CA 3.28Å; S193-G233 PolarHBondContact OG-O 3.02Å; G229-G233 PolarHBondContact O-N 3.14Å; A230-G233 PolarHBondContact O-N 3.42Å; G233-L237 WeakPolarHBondContact O-CG 3.42Å |
| 234 | F | 88.9 | Confident | 87.4 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 34% | 0.338 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -73.7 | -32.7 | 175.1 | -69.5 | -61.9 | 0 | 0 | 0 | 113.2 | G197 L198 A201 A230 I231 M232 I236 L237 I238 | G197-F234 WeakPolarHBondContact O-CE2 3.4Å; L198-F234 HydrophobicContact CD2-CZ 4.16Å; L198-F234 HydrophobicContact CG-CZ 4.48Å; A201-F234 HydrophobicContact CB-CE2 4.29Å; A230-F234 WeakPolarHBondContact O-CD2 3.38Å; A230-F234 PolarHBondContact O-N 3.32Å; I231-F234 PolarHBondContact O-N 2.7Å; M232-F234 PolarHBondContact O-N 2.87Å; F234-I236 VanDerWaalsContact C-N 3.34Å; F234-I236 PolarHBondContact O-N 3.41Å; F234-L237 HydrophobicContact CD1-CD1 4.15Å; F234-L237 PolarHBondContact O-N 3.41Å; F234-I238 WeakPolarHBondContact O-CG1 3.4Å; F234-I238 PolarHBondContact O-N 2.84Å |
| 235 | S | 87.6 | Confident | 86.7 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.6 | -47.6 | 173.6 | 178 | 0 | 0 | 0 | 0 | 111.6 | I231 M232 L237 I238 S239 D253 I256 | I231-S235 WeakPolarHBondContact O-CB 3.25Å; I231-S235 PolarHBondContact O-N 2.86Å; M232-S235 WeakPolarHBondContact O-CB 3.5Å; M232-S235 PolarHBondContact O-N 3.24Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 3.17Å; S235-I238 PolarHBondContact O-N 3.46Å; S235-S239 VanDerWaalsContact O-CB 3.24Å; S235-S239 WeakPolarHBondContact O-CB 3.39Å; S235-S239 PolarHBondContact O-N 3Å; S235-S239 PolarHBondContact O-OG 3.46Å; S235-D253 PolarHBondContact OG-OD1 3.5Å; S235-I256 VanDerWaalsContact OG-CD1 3.25Å; S235-I256 WeakPolarHBondContact OG-CD1 3.42Å; S235-I256 WeakPolarHBondContact OG-CG2 3.25Å |
| 236 | I | 84.2 | Confident | 86.1 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 18% | 0.179 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 179.2 | -67.1 | 164.2 | 0 | 0 | 0 | 110.7 | V185 M232 F234 S239 A240 | V185-I236 HydrophobicContact CG1-CG2 3.83Å; M232-I236 WeakPolarHBondContact O-CG1 3.3Å; M232-I236 PolarHBondContact O-N 3.46Å; M232-I236 VanDerWaalsContact O-N 3.1Å; F234-I236 VanDerWaalsContact C-N 3.34Å; F234-I236 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-N 3.23Å; I236-A240 VanDerWaalsContact O-CB 3.27Å; I236-A240 WeakPolarHBondContact O-CB 3.29Å; I236-A240 PolarHBondContact O-N 3.04Å |
| 237 | L | 85.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 179.8 | -63.1 | 172.8 | 0 | 0 | 0 | 112.7 | Y190 I194 G233 F234 S235 E241 | Y190-L237 HydrophobicContact CD1-CD2 4.34Å; Y190-L237 HydrophobicContact CD2-CD2 3.58Å; Y190-L237 HydrophobicContact CE1-CD2 4.32Å; Y190-L237 HydrophobicContact CE2-CD2 3.55Å; Y190-L237 HydrophobicContact CG-CD2 3.99Å; I194-L237 HydrophobicContact CB-CD1 4.4Å; I194-L237 HydrophobicContact CD1-CD2 4.41Å; I194-L237 HydrophobicContact CG1-CD1 3.69Å; I194-L237 HydrophobicContact CG1-CD2 3.63Å; I194-L237 HydrophobicContact CG1-CG 4.32Å; G233-L237 WeakPolarHBondContact O-CG 3.42Å; F234-L237 HydrophobicContact CD1-CD1 4.15Å; F234-L237 PolarHBondContact O-N 3.41Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 3.17Å; L237-E241 PolarHBondContact O-N 2.74Å; L237-E241 VanDerWaalsContact O-N 3.1Å |
| 238 | I | 86.5 | Confident | 84.2 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 52% | 0.523 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 176.2 | -66.6 | 166.6 | 0 | 0 | 0 | 109.4 | F234 S235 A240 E241 V242 | F234-I238 WeakPolarHBondContact O-CG1 3.4Å; F234-I238 PolarHBondContact O-N 2.84Å; S235-I238 PolarHBondContact O-N 3.46Å; I238-A240 VanDerWaalsContact C-N 3.34Å; I238-A240 PolarHBondContact O-N 3.33Å; I238-E241 PolarHBondContact O-N 3.41Å; I238-V242 HydrophobicContact CG2-CG2 4.13Å; I238-V242 VanDerWaalsContact O-CG2 3.29Å; I238-V242 WeakPolarHBondContact O-CG2 3.45Å; I238-V242 PolarHBondContact O-N 3.04Å |
| 239 | S | 83.4 | Confident | 83.5 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.4 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | S235 I236 E241 F243 | S235-S239 VanDerWaalsContact O-CB 3.24Å; S235-S239 WeakPolarHBondContact O-CB 3.39Å; S235-S239 PolarHBondContact O-N 3Å; S235-S239 PolarHBondContact O-OG 3.46Å; I236-S239 PolarHBondContact O-N 3.23Å; S239-E241 PolarHBondContact O-N 3.47Å; S239-F243 WeakPolarHBondContact O-CB 3.49Å; S239-F243 PolarHBondContact O-N 3.36Å |
| 240 | A | 80.3 | Confident | 82.8 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V185 Y190 I236 I238 K244 | V185-A240 HydrophobicContact CB-CB 4.31Å; V185-A240 HydrophobicContact CG1-CB 4.12Å; V185-A240 HydrophobicContact CG2-CB 3.88Å; Y190-A240 HydrophobicContact CD2-CB 3.98Å; Y190-A240 HydrophobicContact CE2-CB 3.98Å; I236-A240 VanDerWaalsContact O-CB 3.27Å; I236-A240 WeakPolarHBondContact O-CB 3.29Å; I236-A240 PolarHBondContact O-N 3.04Å; I238-A240 VanDerWaalsContact C-N 3.34Å; I238-A240 PolarHBondContact O-N 3.33Å; A240-K244 WeakPolarHBondContact O-CG 3.3Å; A240-K244 PolarHBondContact O-N 3.02Å |
| 241 | E | 83.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -75.7 | -37.4 | -175.3 | -159.4 | 58.7 | -142.6 | 0 | 0 | 112.5 | L237 I238 S239 K244 | L237-E241 PolarHBondContact O-N 2.74Å; L237-E241 VanDerWaalsContact O-N 3.1Å; I238-E241 PolarHBondContact O-N 3.41Å; S239-E241 PolarHBondContact O-N 3.47Å; E241-K244 IonicContact OE1-NZ 2.79Å; E241-K244 IonicContact OE2-NZ 3.33Å; E241-K244 PolarHBondContact OE2-NZ 3.45Å |
| 242 | V | 83.6 | Confident | 81.7 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 30% | 0.303 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.4 | -37.2 | 175 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | I238 K244 Q245 H246 V249 | I238-V242 HydrophobicContact CG2-CG2 4.13Å; I238-V242 VanDerWaalsContact O-CG2 3.29Å; I238-V242 WeakPolarHBondContact O-CG2 3.45Å; I238-V242 PolarHBondContact O-N 3.04Å; V242-K244 VanDerWaalsContact C-N 3.29Å; V242-K244 PolarHBondContact O-N 3.46Å; V242-Q245 PolarHBondContact O-N 3.15Å; V242-H246 PolarHBondContact O-N 3.08Å; V242-V249 HydrophobicContact CB-CG2 4.3Å; V242-V249 HydrophobicContact CG1-CG2 3.57Å |
| 243 | F | 80.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -33 | 178.2 | -174.1 | -100.3 | 0 | 0 | 0 | 113.1 | P182 P183 S239 Q245 H246 P247 W250 | P182-F243 HydrophobicContact CB-CE1 4.46Å; P182-F243 HydrophobicContact CB-CZ 3.94Å; P183-F243 HydrophobicContact CG-CB 4.1Å; P183-F243 HydrophobicContact CG-CD1 3.96Å; P183-F243 HydrophobicContact CG-CD2 4.08Å; P183-F243 HydrophobicContact CG-CE1 4.41Å; P183-F243 HydrophobicContact CG-CG 3.78Å; S239-F243 WeakPolarHBondContact O-CB 3.49Å; S239-F243 PolarHBondContact O-N 3.36Å; F243-Q245 PolarHBondContact O-N 3Å; F243-H246 CarbonylContact O-C 3.6Å; F243-P247 HydrophobicContact CE2-CB 4.27Å; F243-P247 VanDerWaalsContact CE2-O 3.31Å; F243-P247 WeakPolarHBondContact CE2-O 3.34Å; F243-P247 HydrophobicContact CZ-CB 4.43Å; F243-W250 HydrophobicContact CE2-CB 4.11Å |
| 244 | K | 79 | Confident | 81.2 | Confident | 139 Ų | 139 | 63.5 Ų | 63.5 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.7 | -30.3 | 172.4 | -68.8 | 170.1 | -171.1 | 168.7 | 0 | 113.2 | A240 E241 V242 | A240-K244 WeakPolarHBondContact O-CG 3.3Å; A240-K244 PolarHBondContact O-N 3.02Å; E241-K244 IonicContact OE1-NZ 2.79Å; E241-K244 IonicContact OE2-NZ 3.33Å; E241-K244 PolarHBondContact OE2-NZ 3.45Å; V242-K244 VanDerWaalsContact C-N 3.29Å; V242-K244 PolarHBondContact O-N 3.46Å |
| 245 | Q | 78.6 | Confident | 81.2 | Confident | 130 Ų | 130 | 62.1 Ų | 62.1 | 61% | 0.607 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -97 | -33.8 | -175.7 | -58.9 | 178.9 | 31.5 | 0 | 0 | 111.7 | V242 F243 | V242-Q245 PolarHBondContact O-N 3.15Å; F243-Q245 PolarHBondContact O-N 3Å |
| 246 | H | 79.8 | Confident | 81.2 | Confident | 109 Ų | 109 | 64 Ų | 64 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | trans | -139.4 | 93.9 | -178.1 | -62.8 | -59.9 | 0 | 0 | 0 | 110.6 | V242 F243 D248 V249 | V242-H246 PolarHBondContact O-N 3.08Å; F243-H246 CarbonylContact O-C 3.6Å; H246-D248 PolarHBondContact O-N 3.39Å; H246-D248 VanDerWaalsContact O-N 3.11Å; H246-V249 HydrophobicContact CB-CG2 4.49Å; H246-V249 VanDerWaalsContact O-CG2 3.28Å; H246-V249 WeakPolarHBondContact O-CG2 3.45Å; H246-V249 PolarHBondContact O-N 3.48Å | ||
| 247 | P | 72.8 | Confident | 81.4 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -65.8 | -15.1 | -178.3 | 26 | -34.5 | 0 | 0 | 0 | 113.8 | F243 V249 | F243-P247 HydrophobicContact CE2-CB 4.27Å; F243-P247 VanDerWaalsContact CE2-O 3.31Å; F243-P247 WeakPolarHBondContact CE2-O 3.34Å; F243-P247 HydrophobicContact CZ-CB 4.43Å; P247-V249 VanDerWaalsContact C-N 3.27Å; P247-V249 PolarHBondContact O-N 2.94Å |
| 248 | D | 73.8 | Confident | 81.7 | Confident | 131 Ų | 131 | 63.5 Ų | 63.5 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -70.4 | -16.5 | 179 | -60.7 | -53.9 | 0 | 0 | 0 | 114.1 | H246 W250 | H246-D248 PolarHBondContact O-N 3.39Å; H246-D248 VanDerWaalsContact O-N 3.11Å; D248-W250 VanDerWaalsContact C-N 3.3Å; D248-W250 VanDerWaalsContact O-CD1 3.28Å; D248-W250 PolarHBondContact O-N 2.7Å |
| 249 | V | 77.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 24% | 0.236 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -90.4 | 25.3 | -178 | -57.2 | 0 | 0 | 0 | 0 | 114.7 | V242 H246 P247 F251 L252 | V242-V249 HydrophobicContact CB-CG2 4.3Å; V242-V249 HydrophobicContact CG1-CG2 3.57Å; H246-V249 HydrophobicContact CB-CG2 4.49Å; H246-V249 VanDerWaalsContact O-CG2 3.28Å; H246-V249 WeakPolarHBondContact O-CG2 3.45Å; H246-V249 PolarHBondContact O-N 3.48Å; P247-V249 VanDerWaalsContact C-N 3.27Å; P247-V249 PolarHBondContact O-N 2.94Å; V249-F251 PolarHBondContact O-N 2.85Å; V249-L252 WeakPolarHBondContact O-CB 3.41Å; V249-L252 PolarHBondContact O-N 3.19Å |
| 250 | W | 75.5 | Confident | 82.5 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -25.3 | 178.6 | 64.7 | -87.3 | 0 | 0 | 0 | 114.6 | L177 R180 F243 D248 L252 | L177-W250 HydrophobicContact CD1-CH2 3.88Å; L177-W250 HydrophobicContact CD1-CZ3 3.83Å; L177-W250 WeakPolarHBondContact O-CH2 3.38Å; L177-W250 VanDerWaalsContact O-CZ3 3.29Å; L177-W250 WeakPolarHBondContact O-CZ3 3.37Å; R180-W250 HydrophobicContact CB-CE3 4.18Å; R180-W250 HydrophobicContact CB-CH2 4.31Å; R180-W250 HydrophobicContact CB-CZ3 4.01Å; R180-W250 HydrophobicContact CG-CE3 4.4Å; R180-W250 HydrophobicContact CG-CH2 3.65Å; R180-W250 HydrophobicContact CG-CZ2 4.02Å; R180-W250 HydrophobicContact CG-CZ3 3.84Å; F243-W250 HydrophobicContact CE2-CB 4.11Å; D248-W250 VanDerWaalsContact C-N 3.3Å; D248-W250 VanDerWaalsContact O-CD1 3.28Å; D248-W250 PolarHBondContact O-N 2.7Å; W250-L252 VanDerWaalsContact C-N 3.31Å; W250-L252 PolarHBondContact O-N 3.34Å |
| 251 | F | 80.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 64 Ų | 64 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -9.3 | -179.4 | 66.7 | -91.4 | 0 | 0 | 0 | 114.7 | L177 V249 G254 S255 | L177-F251 HydrophobicContact CD1-CB 3.68Å; V249-F251 PolarHBondContact O-N 2.85Å; F251-G254 PolarHBondContact O-N 3.41Å; F251-S255 WeakPolarHBondContact O-CB 3.45Å; F251-S255 PolarHBondContact O-N 3.2Å; F251-S255 PolarHBondContact O-OG 2.8Å |
| 252 | L | 80.4 | Confident | 83.6 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -54.5 | -168.4 | -171.8 | 66.8 | 0 | 0 | 0 | 112.3 | V249 W250 G254 S255 I256 | V249-L252 WeakPolarHBondContact O-CB 3.41Å; V249-L252 PolarHBondContact O-N 3.19Å; W250-L252 VanDerWaalsContact C-N 3.31Å; W250-L252 PolarHBondContact O-N 3.34Å; L252-G254 PolarHBondContact O-N 3.36Å; L252-S255 PolarHBondContact O-N 3.45Å; L252-S255 VanDerWaalsContact O-N 3.14Å; L252-S255 PolarHBondContact O-OG 3.48Å; L252-I256 HydrophobicContact CD1-CD1 4.31Å; L252-I256 HydrophobicContact CG-CD1 4.03Å; L252-I256 WeakPolarHBondContact O-CG1 3.4Å; L252-I256 PolarHBondContact O-N 2.93Å |
| 253 | D | 82.1 | Confident | 84.1 | Confident | 44 Ų | 44 | 66 Ų | 66 | 24% | 0.235 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | -177.8 | -163.5 | 54.4 | 0 | 0 | 0 | 112 | S235 S255 I256 G257 | S235-D253 PolarHBondContact OG-OD1 3.5Å; D253-S255 VanDerWaalsContact C-N 3.33Å; D253-S255 PolarHBondContact O-N 3.04Å; D253-I256 PolarHBondContact O-N 3.2Å; D253-G257 PolarHBondContact O-N 3.31Å |
| 254 | G | 82.8 | Confident | 84.8 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F251 L252 G257 V258 | F251-G254 PolarHBondContact O-N 3.41Å; L252-G254 PolarHBondContact O-N 3.36Å; G254-G257 PolarHBondContact O-N 3.24Å; G254-V258 WeakPolarHBondContact O-CG2 3.41Å; G254-V258 PolarHBondContact O-N 2.98Å |
| 255 | S | 88.2 | Confident | 85.6 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 177 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | F251 L252 D253 L259 | F251-S255 WeakPolarHBondContact O-CB 3.45Å; F251-S255 PolarHBondContact O-N 3.2Å; F251-S255 PolarHBondContact O-OG 2.8Å; L252-S255 PolarHBondContact O-N 3.45Å; L252-S255 VanDerWaalsContact O-N 3.14Å; L252-S255 PolarHBondContact O-OG 3.48Å; D253-S255 VanDerWaalsContact C-N 3.33Å; D253-S255 PolarHBondContact O-N 3.04Å; S255-L259 WeakPolarHBondContact O-CB 3.31Å; S255-L259 PolarHBondContact O-N 3.19Å |
| 256 | I | 88.4 | Confident | 86.4 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 175.3 | -65.4 | 164.7 | 0 | 0 | 0 | 110 | S235 L252 D253 V258 L259 I260 | S235-I256 VanDerWaalsContact OG-CD1 3.25Å; S235-I256 WeakPolarHBondContact OG-CD1 3.42Å; S235-I256 WeakPolarHBondContact OG-CG2 3.25Å; L252-I256 HydrophobicContact CD1-CD1 4.31Å; L252-I256 HydrophobicContact CG-CD1 4.03Å; L252-I256 WeakPolarHBondContact O-CG1 3.4Å; L252-I256 PolarHBondContact O-N 2.93Å; D253-I256 PolarHBondContact O-N 3.2Å; I256-V258 PolarHBondContact O-N 2.86Å; I256-L259 PolarHBondContact O-N 3.11Å; I256-I260 HydrophobicContact CG2-CG1 4.14Å; I256-I260 WeakPolarHBondContact O-CB 3.44Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.48Å; I256-I260 PolarHBondContact O-N 3.4Å |
| 257 | G | 88.8 | Confident | 87 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D253 G254 G261 | D253-G257 PolarHBondContact O-N 3.31Å; G254-G257 PolarHBondContact O-N 3.24Å; G257-G261 PolarHBondContact O-N 3.4Å |
| 258 | V | 91.4 | Very high | 88 | Confident | 35 Ų | 35 | 50 Ų | 50 | 21% | 0.212 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 173.2 | 167.3 | 0 | 0 | 0 | 0 | 111.1 | L170 A173 I174 G254 I256 G261 L262 | L170-V258 HydrophobicContact CD1-CB 4.12Å; L170-V258 HydrophobicContact CD1-CG1 3.89Å; L170-V258 HydrophobicContact CD1-CG2 4.04Å; A173-V258 HydrophobicContact CB-CG2 3.79Å; I174-V258 HydrophobicContact CG1-CG2 4.17Å; G254-V258 WeakPolarHBondContact O-CG2 3.41Å; G254-V258 PolarHBondContact O-N 2.98Å; I256-V258 PolarHBondContact O-N 2.86Å; V258-G261 PolarHBondContact O-N 2.91Å; V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 WeakPolarHBondContact O-CG 3.36Å; V258-L262 PolarHBondContact O-N 2.89Å |
| 259 | L | 93.8 | Very high | 89.1 | Confident | 104 Ų | 104 | 46.5 Ų | 46.5 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | -179.6 | 177.6 | 61.8 | 0 | 0 | 0 | 111.7 | S255 I256 L262 I263 | S255-L259 WeakPolarHBondContact O-CB 3.31Å; S255-L259 PolarHBondContact O-N 3.19Å; I256-L259 PolarHBondContact O-N 3.11Å; L259-L262 PolarHBondContact O-N 3.05Å; L259-I263 HydrophobicContact CD1-CD1 4.11Å; L259-I263 HydrophobicContact CG-CD1 4.02Å; L259-I263 VanDerWaalsContact O-CG1 3.29Å; L259-I263 WeakPolarHBondContact O-CG1 3.31Å; L259-I263 PolarHBondContact O-N 2.66Å; L259-I263 VanDerWaalsContact O-N 3.08Å |
| 260 | I | 92.4 | Very high | 89.8 | Confident | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 178.9 | -69.4 | -67.3 | 0 | 0 | 0 | 110.8 | V228 I231 M232 I256 L262 I263 I264 | V228-I260 HydrophobicContact CG1-CG2 3.94Å; V228-I260 HydrophobicContact CG2-CG2 4.34Å; I231-I260 HydrophobicContact CG2-CD1 3.91Å; I231-I260 HydrophobicContact CG2-CG1 4.3Å; M232-I260 HydrophobicContact CG-CG2 4.29Å; M232-I260 HydrophobicContact SD-CG2 4.22Å; I256-I260 HydrophobicContact CG2-CG1 4.14Å; I256-I260 WeakPolarHBondContact O-CB 3.44Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.48Å; I256-I260 PolarHBondContact O-N 3.4Å; I260-L262 PolarHBondContact O-N 3.4Å; I260-I263 PolarHBondContact O-N 3.34Å; I260-I263 VanDerWaalsContact O-N 3.15Å; I260-I264 HydrophobicContact CG2-CD1 3.68Å; I260-I264 HydrophobicContact CG2-CG1 4.32Å; I260-I264 WeakPolarHBondContact O-CD1 3.42Å; I260-I264 VanDerWaalsContact O-CG1 3.25Å; I260-I264 WeakPolarHBondContact O-CG1 3.44Å; I260-I264 PolarHBondContact O-N 3.05Å |
| 261 | G | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.9 | -47 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S166 G257 V258 I263 I264 L265 | S166-G261 WeakPolarHBondContact CB-O 3.47Å; G257-G261 PolarHBondContact O-N 3.4Å; V258-G261 PolarHBondContact O-N 2.91Å; G261-I263 PolarHBondContact O-N 3.35Å; G261-I264 PolarHBondContact O-N 2.98Å; G261-L265 WeakPolarHBondContact O-CB 3.44Å; G261-L265 PolarHBondContact O-N 3.37Å |
| 262 | L | 95.3 | Very high | 91.2 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 47% | 0.466 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 176.9 | -69.8 | 173.2 | 0 | 0 | 0 | 113 | L170 V258 L259 I260 L265 A266 | L170-L262 HydrophobicContact CD1-CG 4.43Å; L170-L262 HydrophobicContact CD2-CD2 4.22Å; V258-L262 HydrophobicContact CG1-CD1 4.18Å; V258-L262 WeakPolarHBondContact O-CG 3.36Å; V258-L262 PolarHBondContact O-N 2.89Å; L259-L262 PolarHBondContact O-N 3.05Å; I260-L262 PolarHBondContact O-N 3.4Å; L262-L265 PolarHBondContact O-N 3.11Å; L262-A266 WeakPolarHBondContact O-CB 3.31Å; L262-A266 PolarHBondContact O-N 3.33Å |
| 263 | I | 94.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 176.5 | -66.6 | 164.1 | 0 | 0 | 0 | 110.8 | F224 L259 I260 G261 A266 Y267 | F224-I263 HydrophobicContact CZ-CG2 4.1Å; L259-I263 HydrophobicContact CD1-CD1 4.11Å; L259-I263 HydrophobicContact CG-CD1 4.02Å; L259-I263 VanDerWaalsContact O-CG1 3.29Å; L259-I263 WeakPolarHBondContact O-CG1 3.31Å; L259-I263 PolarHBondContact O-N 2.66Å; L259-I263 VanDerWaalsContact O-N 3.08Å; I260-I263 PolarHBondContact O-N 3.34Å; I260-I263 VanDerWaalsContact O-N 3.15Å; G261-I263 PolarHBondContact O-N 3.35Å; I263-A266 PolarHBondContact O-N 3.43Å; I263-Y267 WeakPolarHBondContact O-CB 3.36Å; I263-Y267 PolarHBondContact O-N 3.43Å |
| 264 | I | 93.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.7 | -60.5 | 157.3 | 0 | 0 | 0 | 110.4 | F162 I169 F224 V228 I260 G261 A266 Y267 G268 | F162-I264 HydrophobicContact CB-CG2 3.98Å; F162-I264 HydrophobicContact CD2-CG2 3.92Å; F162-I264 HydrophobicContact CG-CG2 4.03Å; I169-I264 HydrophobicContact CD1-CD1 3.67Å; F224-I264 HydrophobicContact CE1-CG1 4.21Å; V228-I264 HydrophobicContact CG1-CD1 3.6Å; V228-I264 HydrophobicContact CG1-CG1 4.28Å; V228-I264 HydrophobicContact CG2-CD1 4.18Å; V228-I264 HydrophobicContact CG2-CG1 3.95Å; I260-I264 HydrophobicContact CG2-CD1 3.68Å; I260-I264 HydrophobicContact CG2-CG1 4.32Å; I260-I264 WeakPolarHBondContact O-CD1 3.42Å; I260-I264 VanDerWaalsContact O-CG1 3.25Å; I260-I264 WeakPolarHBondContact O-CG1 3.44Å; I260-I264 PolarHBondContact O-N 3.05Å; G261-I264 PolarHBondContact O-N 2.98Å; I264-A266 PolarHBondContact O-N 2.93Å; I264-Y267 PolarHBondContact O-N 2.87Å; I264-G268 PolarHBondContact O-N 3.48Å |
| 265 | L | 95.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 177.8 | -179.2 | 60.6 | 0 | 0 | 0 | 111.1 | I163 S166 G261 L262 Y267 G268 V269 | I163-L265 HydrophobicContact CG1-CD1 4.35Å; I163-L265 HydrophobicContact CG2-CD1 4.13Å; S166-L265 WeakPolarHBondContact OG-CA 3.24Å; S166-L265 WeakPolarHBondContact OG-CB 3.4Å; S166-L265 WeakPolarHBondContact OG-CD1 3.27Å; G261-L265 WeakPolarHBondContact O-CB 3.44Å; G261-L265 PolarHBondContact O-N 3.37Å; L262-L265 PolarHBondContact O-N 3.11Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; L265-Y267 PolarHBondContact O-N 2.92Å; L265-G268 PolarHBondContact O-N 3.34Å; L265-V269 HydrophobicContact CD1-CG2 4.25Å; L265-V269 WeakPolarHBondContact O-CB 3.33Å; L265-V269 VanDerWaalsContact O-CG2 3.31Å; L265-V269 WeakPolarHBondContact O-CG2 3.32Å; L265-V269 PolarHBondContact O-N 2.86Å |
| 266 | A | 95.4 | Very high | 92.4 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L262 I263 I264 K270 | L262-A266 WeakPolarHBondContact O-CB 3.31Å; L262-A266 PolarHBondContact O-N 3.33Å; I263-A266 PolarHBondContact O-N 3.43Å; I264-A266 PolarHBondContact O-N 2.93Å; A266-K270 WeakPolarHBondContact O-CB 3.21Å; A266-K270 PolarHBondContact O-N 3.04Å |
| 267 | Y | 94.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 52.4 Ų | 52.4 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -45.6 | 176.5 | -171.8 | -89.6 | 0 | 0 | 0 | 112.2 | F162 T221 I263 I264 L265 K270 L271 | F162-Y267 AromaticContact CD2-CD1 3.76Å; F162-Y267 HydrophobicContact CD2-CD1 3.76Å; F162-Y267 HydrophobicContact CD2-CE1 4.38Å; F162-Y267 AromaticContact CE2-CD1 3.69Å; F162-Y267 HydrophobicContact CE2-CD1 3.69Å; F162-Y267 AromaticContact CE2-CE1 3.97Å; F162-Y267 HydrophobicContact CE2-CE1 3.97Å; T221-Y267 HydrophobicContact CG2-CE1 4.05Å; T221-Y267 PolarHBondContact OG1-OH 2.89Å; I263-Y267 WeakPolarHBondContact O-CB 3.36Å; I263-Y267 PolarHBondContact O-N 3.43Å; I264-Y267 PolarHBondContact O-N 2.87Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; L265-Y267 PolarHBondContact O-N 2.92Å; Y267-K270 PolarHBondContact O-N 3.18Å; Y267-L271 HydrophobicContact CE1-CD2 4.27Å; Y267-L271 WeakPolarHBondContact O-CB 3.37Å; Y267-L271 PolarHBondContact O-N 3.29Å |
| 268 | G | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I264 L265 L271 L272 | I264-G268 PolarHBondContact O-N 3.48Å; L265-G268 PolarHBondContact O-N 3.34Å; G268-L271 PolarHBondContact O-N 3.32Å; G268-L272 WeakPolarHBondContact O-CB 3.07Å; G268-L272 PolarHBondContact O-N 3.48Å |
| 269 | V | 95.8 | Very high | 91.6 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 35% | 0.352 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | I163 L265 L272 K273 | I163-V269 HydrophobicContact CD1-CG2 3.96Å; I163-V269 HydrophobicContact CG1-CG2 4.12Å; L265-V269 HydrophobicContact CD1-CG2 4.25Å; L265-V269 WeakPolarHBondContact O-CB 3.33Å; L265-V269 VanDerWaalsContact O-CG2 3.31Å; L265-V269 WeakPolarHBondContact O-CG2 3.32Å; L265-V269 PolarHBondContact O-N 2.86Å; V269-L272 PolarHBondContact O-N 3.16Å; V269-K273 HydrophobicContact CG1-CD 4.42Å; V269-K273 WeakPolarHBondContact O-CB 3.39Å; V269-K273 WeakPolarHBondContact O-CG 3.31Å; V269-K273 PolarHBondContact O-N 2.83Å |
| 270 | K | 93.5 | Very high | 91 | Very high | 133 Ų | 133 | 56.9 Ų | 56.9 | 58% | 0.578 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.3 | -50 | 175.2 | 178.5 | 167.6 | 179.4 | 164 | 0 | 111.4 | A266 Y267 L272 K273 D274 | A266-K270 WeakPolarHBondContact O-CB 3.21Å; A266-K270 PolarHBondContact O-N 3.04Å; Y267-K270 PolarHBondContact O-N 3.18Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 2.89Å; K270-K273 PolarHBondContact O-N 2.93Å; K270-K273 VanDerWaalsContact O-N 3.16Å; K270-D274 VanDerWaalsContact O-CG 3.31Å; K270-D274 PolarHBondContact O-N 2.9Å |
| 271 | L | 91.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 178.4 | -175 | 63.4 | 0 | 0 | 0 | 111.4 | C155 L158 T221 Y267 G268 M275 | C155-L271 HydrophobicContact CB-CD1 4.05Å; C155-L271 HydrophobicContact CB-CD2 4.5Å; C155-L271 HydrophobicContact CB-CG 4.34Å; C155-L271 WeakPolarHBondContact O-CD2 3.21Å; L158-L271 HydrophobicContact CB-CD2 4.4Å; T221-L271 HydrophobicContact CG2-CD2 3.77Å; Y267-L271 HydrophobicContact CE1-CD2 4.27Å; Y267-L271 WeakPolarHBondContact O-CB 3.37Å; Y267-L271 PolarHBondContact O-N 3.29Å; G268-L271 PolarHBondContact O-N 3.32Å; L271-M275 HydrophobicContact CD1-CG 3.91Å; L271-M275 HydrophobicContact CG-CG 4.36Å; L271-M275 VanDerWaalsContact O-CB 3.29Å; L271-M275 WeakPolarHBondContact O-CB 3.28Å; L271-M275 WeakPolarHBondContact O-CG 3.23Å; L271-M275 PolarHBondContact O-N 2.79Å; L271-M275 VanDerWaalsContact O-N 3.09Å |
| 272 | L | 92.4 | Very high | 89.2 | Confident | 46 Ų | 46 | 63.3 Ų | 63.3 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 177.2 | -167.6 | 68.7 | 0 | 0 | 0 | 111.9 | V156 I160 I163 G268 V269 K270 M275 V276 | V156-L272 HydrophobicContact CB-CD1 4.43Å; V156-L272 HydrophobicContact CG1-CD1 3.89Å; V156-L272 HydrophobicContact CG2-CD1 4.42Å; I160-L272 HydrophobicContact CG1-CD1 4.1Å; I163-L272 HydrophobicContact CD1-CD2 4.01Å; G268-L272 WeakPolarHBondContact O-CB 3.07Å; G268-L272 PolarHBondContact O-N 3.48Å; V269-L272 PolarHBondContact O-N 3.16Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 2.89Å; L272-M275 PolarHBondContact O-N 3.33Å; L272-V276 HydrophobicContact CD1-CG2 3.56Å; L272-V276 HydrophobicContact CG-CG2 3.84Å; L272-V276 WeakPolarHBondContact O-CB 3.41Å; L272-V276 VanDerWaalsContact O-CG2 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.03Å; L272-V276 PolarHBondContact O-N 3.18Å |
| 273 | K | 92 | Very high | 87.8 | Confident | 154 Ų | 154 | 66.2 Ų | 66.2 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 176.1 | -80.8 | -176.2 | 172.9 | -176.6 | 0 | 112.7 | V269 K270 P277 | V269-K273 HydrophobicContact CG1-CD 4.42Å; V269-K273 WeakPolarHBondContact O-CB 3.39Å; V269-K273 WeakPolarHBondContact O-CG 3.31Å; V269-K273 PolarHBondContact O-N 2.83Å; K270-K273 PolarHBondContact O-N 2.93Å; K270-K273 VanDerWaalsContact O-N 3.16Å; K273-P277 WeakPolarHBondContact O-CD 3.42Å; K273-P277 WeakPolarHBondContact O-CG 3.29Å |
| 274 | D | 88.6 | Confident | 86.1 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.6 | -36 | 178.6 | -65.6 | 0.3 | 0 | 0 | 0 | 112.1 | R217 K270 | R217-D274 IonicContact CZ-OD2 3Å; R217-D274 IonicContact NH1-OD2 3.38Å; R217-D274 IonicContact NH2-OD2 3.37Å; R217-D274 PolarHBondContact NH2-OD2 3.36Å; K270-D274 VanDerWaalsContact O-CG 3.31Å; K270-D274 PolarHBondContact O-N 2.9Å |
| 275 | M | 88.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -98.2 | -32.5 | -166.7 | -58.8 | -76.7 | 91.7 | 0 | 0 | 114.3 | Y152 C155 V156 R217 L271 L272 R278 V279 | Y152-M275 HydrophobicContact CD1-CE 4.29Å; Y152-M275 HydrophobicContact CD1-SD 3.84Å; Y152-M275 HydrophobicContact CE1-CE 4.46Å; Y152-M275 HydrophobicContact CE1-SD 4.49Å; C155-M275 HydrophobicContact CB-CB 4.3Å; C155-M275 HydrophobicContact CB-CG 3.58Å; C155-M275 HydrophobicContact CB-SD 3.65Å; V156-M275 HydrophobicContact CG2-CB 3.68Å; R217-M275 VanDerWaalsContact CZ-CE 3.41Å; L271-M275 HydrophobicContact CD1-CG 3.91Å; L271-M275 HydrophobicContact CG-CG 4.36Å; L271-M275 VanDerWaalsContact O-CB 3.29Å; L271-M275 WeakPolarHBondContact O-CB 3.28Å; L271-M275 WeakPolarHBondContact O-CG 3.23Å; L271-M275 PolarHBondContact O-N 2.79Å; L271-M275 VanDerWaalsContact O-N 3.09Å; L272-M275 PolarHBondContact O-N 3.33Å; M275-R278 PolarHBondContact O-N 2.92Å; M275-V279 WeakPolarHBondContact O-CG2 3.37Å; M275-V279 PolarHBondContact O-N 3.43Å |
| 276 | V | 89.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 75.4 Ų | 75.4 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | -179.7 | 167.1 | 0 | 0 | 0 | 0 | 113.3 | V156 L272 R278 V279 R280 | V156-V276 HydrophobicContact CG1-CG2 4.41Å; V156-V276 HydrophobicContact CG2-CG2 3.91Å; L272-V276 HydrophobicContact CD1-CG2 3.56Å; L272-V276 HydrophobicContact CG-CG2 3.84Å; L272-V276 WeakPolarHBondContact O-CB 3.41Å; L272-V276 VanDerWaalsContact O-CG2 3.25Å; L272-V276 WeakPolarHBondContact O-CG2 3.03Å; L272-V276 PolarHBondContact O-N 3.18Å; V276-R278 VanDerWaalsContact C-N 3.32Å; V276-R278 PolarHBondContact O-N 3.29Å; V276-V279 PolarHBondContact O-N 3.29Å; V276-R280 WeakPolarHBondContact O-CB 3.43Å; V276-R280 PolarHBondContact O-N 3.42Å |
| 277 | P | 86.8 | Confident | 80.3 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 174.9 | -23.5 | 34.9 | 0 | 0 | 0 | 112.1 | K273 R280 Q281 | K273-P277 WeakPolarHBondContact O-CD 3.42Å; K273-P277 WeakPolarHBondContact O-CG 3.29Å; P277-R280 WeakPolarHBondContact O-CB 3.28Å; P277-R280 PolarHBondContact O-N 3.47Å; P277-R280 VanDerWaalsContact O-N 3.15Å; P277-Q281 PolarHBondContact O-N 3.24Å |
| 278 | R | 83.1 | Confident | 78.2 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 9% | 0.087 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | -179 | -60.7 | -171.9 | -177.9 | 165.2 | 8.4 | 112.2 | D62 D65 Y152 M275 V276 R280 Q281 T282 | D62-R278 IonicContact OD1-CZ 3.8Å; D62-R278 IonicContact OD1-NE 3.87Å; D62-R278 PolarHBondContact OD1-NE 3.45Å; D62-R278 IonicContact OD1-NH2 3.38Å; D62-R278 PolarHBondContact OD1-NH2 2.77Å; D65-R278 IonicContact OD2-CZ 3.1Å; D65-R278 VanDerWaalsContact OD2-CZ 3.29Å; D65-R278 IonicContact OD2-NH1 3.57Å; D65-R278 PolarHBondContact OD2-NH1 3.47Å; D65-R278 IonicContact OD2-NH2 3.18Å; D65-R278 PolarHBondContact OD2-NH2 3.06Å; Y152-R278 HydrophobicContact CD1-CB 4.27Å; Y152-R278 HydrophobicContact CD2-CB 4Å; Y152-R278 HydrophobicContact CE1-CB 4.31Å; Y152-R278 HydrophobicContact CE2-CB 4.04Å; Y152-R278 HydrophobicContact CG-CB 4.13Å; M275-R278 PolarHBondContact O-N 2.92Å; V276-R278 VanDerWaalsContact C-N 3.32Å; V276-R278 PolarHBondContact O-N 3.29Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 PolarHBondContact O-N 3.03Å; R278-Q281 PolarHBondContact O-N 3.44Å; R278-T282 PolarHBondContact O-N 3Å; R278-T282 VanDerWaalsContact O-N 3.14Å; R278-T282 PolarHBondContact O-OG1 3.39Å |
| 279 | V | 83.3 | Confident | 75.8 | Confident | 32 Ų | 32 | 96.3 Ų | 96.3 | 19% | 0.194 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.8 | -43 | 169.9 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | Y152 V156 M275 V276 Q281 T282 R283 | Y152-V279 VanDerWaalsContact CB-CG2 3.44Å; V156-V279 HydrophobicContact CG2-CG2 3.84Å; M275-V279 WeakPolarHBondContact O-CG2 3.37Å; M275-V279 PolarHBondContact O-N 3.43Å; V276-V279 PolarHBondContact O-N 3.29Å; V279-Q281 VanDerWaalsContact C-N 3.34Å; V279-T282 PolarHBondContact O-OG1 3.24Å; V279-T282 VanDerWaalsContact O-OG1 3.09Å; V279-R283 PolarHBondContact O-N 3.32Å |
| 280 | R | 80.3 | Confident | 74.8 | Confident | 188 Ų | 188 | 98.3 Ų | 98.3 | 71% | 0.709 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68 | -35.9 | -178.5 | -171.3 | 178.2 | 180 | -167.4 | -0.5 | 111.8 | V276 P277 R278 N284 | V276-R280 WeakPolarHBondContact O-CB 3.43Å; V276-R280 PolarHBondContact O-N 3.42Å; P277-R280 WeakPolarHBondContact O-CB 3.28Å; P277-R280 PolarHBondContact O-N 3.47Å; P277-R280 VanDerWaalsContact O-N 3.15Å; R278-R280 VanDerWaalsContact C-N 3.33Å; R278-R280 PolarHBondContact O-N 3.03Å; R280-N284 PolarHBondContact O-N 3.08Å; R280-N284 PolarHBondContact O-ND2 2.94Å |
| 281 | Q | 77.1 | Confident | 73.8 | Confident | 118 Ų | 118 | 96.4 Ų | 96.4 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -70.7 | -44 | 179.5 | -169 | 170.6 | -3 | 0 | 0 | 112.1 | P277 R278 V279 R283 N284 Y285 | P277-Q281 PolarHBondContact O-N 3.24Å; R278-Q281 PolarHBondContact O-N 3.44Å; V279-Q281 VanDerWaalsContact C-N 3.34Å; Q281-R283 PolarHBondContact O-N 2.88Å; Q281-N284 PolarHBondContact O-N 2.97Å; Q281-Y285 PolarHBondContact O-N 3.24Å |
| 282 | T | 70 | Confident | 72.8 | Confident | 33 Ų | 33 | 101.6 Ų | 101.6 | 20% | 0.202 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.8 | 54.5 | 0 | 0 | 0 | 0 | 112 | H149 Y152 R278 V279 N284 Y285 E286 | H149-T282 PolarHBondContact ND1-OG1 3.1Å; Y152-T282 HydrophobicContact CD2-CG2 4.3Å; Y152-T282 HydrophobicContact CE2-CG2 4.25Å; R278-T282 PolarHBondContact O-N 3Å; R278-T282 VanDerWaalsContact O-N 3.14Å; R278-T282 PolarHBondContact O-OG1 3.39Å; V279-T282 PolarHBondContact O-OG1 3.24Å; V279-T282 VanDerWaalsContact O-OG1 3.09Å; T282-N284 PolarHBondContact O-N 2.85Å; T282-Y285 PolarHBondContact O-N 3.47Å; T282-Y285 VanDerWaalsContact O-N 3.16Å; T282-E286 PolarHBondContact O-N 3.41Å |
| 283 | R | 64.5 | Low | 71.7 | Confident | 150 Ų | 150 | 104.8 Ų | 104.8 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.8 | -15.1 | 178.7 | -152.7 | -174.1 | 81 | 150.9 | 0.4 | 114.4 | V279 Q281 | V279-R283 PolarHBondContact O-N 3.32Å; Q281-R283 PolarHBondContact O-N 2.88Å |
| 284 | N | 60.6 | Low | 70.4 | Confident | 71 Ų | 71 | 101.8 Ų | 101.8 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -83 | -37.1 | 173 | -73.3 | -25 | 0 | 0 | 0 | 111.2 | R280 Q281 T282 R287 F288 | R280-N284 PolarHBondContact O-N 3.08Å; R280-N284 PolarHBondContact O-ND2 2.94Å; Q281-N284 PolarHBondContact O-N 2.97Å; T282-N284 PolarHBondContact O-N 2.85Å; N284-R287 PolarHBondContact O-N 2.92Å; N284-F288 WeakPolarHBondContact O-CD2 3.42Å; N284-F288 WeakPolarHBondContact O-CE2 3.43Å |
| 285 | Y | 55.2 | Low | 69.2 | Low | 171 Ų | 171 | 105.1 Ų | 105.1 | 67% | 0.671 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 176.6 | -92.1 | -87.6 | 0 | 0 | 0 | 112.1 | Q281 T282 R287 F288 | Q281-Y285 PolarHBondContact O-N 3.24Å; T282-Y285 PolarHBondContact O-N 3.47Å; T282-Y285 VanDerWaalsContact O-N 3.16Å; Y285-R287 PolarHBondContact O-N 3.36Å; Y285-F288 PolarHBondContact O-N 2.94Å |
| 286 | E | 53.9 | Low | 67.8 | Low | 81 Ų | 81 | 112.6 Ų | 112.6 | 38% | 0.379 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 3.3 | 176.8 | -64.2 | 178.8 | 158.4 | 0 | 0 | 114.3 | H146 H149 T282 | H146-E286 IonicContact ND1-OE1 3.68Å; H146-E286 PolarHBondContact ND1-OE1 2.71Å; H149-E286 IonicContact CD2-OE1 2.89Å; H149-E286 IonicContact CD2-OE2 3.88Å; H149-E286 IonicContact NE2-OE2 2.93Å; T282-E286 PolarHBondContact O-N 3.41Å |
| 287 | R | 52.1 | Low | 66.2 | Low | 161 Ų | 161 | 116.1 Ų | 116.1 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 3.8 | 175.3 | -153.2 | -159.4 | -72.3 | -171.9 | -12 | 113.2 | N284 Y285 | N284-R287 PolarHBondContact O-N 2.92Å; Y285-R287 PolarHBondContact O-N 3.36Å |
| 288 | F | 50.5 | Low | 64.5 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 78% | 0.781 | 52% | 0.518 | S | S | * | . | trans | -118.1 | 7.4 | 175.9 | -65.2 | -66 | 0 | 0 | 0 | 112.8 | N284 Y285 | N284-F288 WeakPolarHBondContact O-CD2 3.42Å; N284-F288 WeakPolarHBondContact O-CE2 3.43Å; Y285-F288 PolarHBondContact O-N 2.94Å | ||
| 289 | E | 43.1 | Very low | 62.8 | Low | 232 Ų | 232 | 128.6 Ų | 128.6 | 100% | 1.084 | 56% | 0.557 | S | S | * | * | trans | -106.4 | 0 | 163.4 | -63.1 | -174 | 131.2 | 0 | 0 | 109.7 |
Retrieved 289 of 289 residues in 53 ms
(Link to these results)