| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.6 | Very low | 38.5 | Very low | 252 Ų | 252 | 149.9 Ų | 149.9 | 100% | 1.241 | 87% | 0.871 | S | S | * | * | 0 | 100.3 | 0 | -95.8 | 175.3 | 166.5 | 0 | 0 | 108.3 | |||||
| 2 | A | 35.3 | Very low | 38.3 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 86% | 0.86 | 87% | 0.872 | S | S | * | * | trans | -159 | 113 | 161.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 3 | Q | 37.9 | Very low | 38.3 | Very low | 200 Ų | 200 | 153 Ų | 153 | 94% | 0.935 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 129.1 | 174.2 | -84.7 | 173.6 | -48.2 | 0 | 0 | 108.7 | ||
| 4 | E | 34.8 | Very low | 38 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 91% | 0.911 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 123.1 | 158.1 | -102.2 | -170.2 | 147.6 | 0 | 0 | 109 | ||
| 5 | S | 39 | Very low | 37.7 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 151.2 | 173.2 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 6 | P | 40.2 | Very low | 38 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 133.7 | 173.2 | 30.4 | -30.4 | 0 | 0 | 0 | 110.6 | ||
| 7 | K | 39.3 | Very low | 38.5 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.9 | 171 | -74.7 | 175 | 176.7 | 171.1 | 0 | 109.7 | S9 | K7-S9 PolarHBondContact O-N 2.85Š|
| 8 | N | 35.2 | Very low | 38.7 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122.8 | 167.6 | -73.3 | -24.2 | 0 | 0 | 0 | 110 | A10 | N8-A10 PolarHBondContact O-N 3.07Š|
| 9 | S | 39.7 | Very low | 38.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -74.1 | 110.3 | 164.2 | -174.2 | 0 | 0 | 0 | 0 | 107.3 | K7 A11 | K7-S9 PolarHBondContact O-N 2.85Å; S9-A11 PolarHBondContact O-N 3.24Å | ||
| 10 | A | 36.3 | Very low | 39 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -63.3 | 124.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N8 E12 | N8-A10 PolarHBondContact O-N 3.07Å; A10-E12 PolarHBondContact O-N 2.74Å; A10-E12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | A | 40.6 | Very low | 39.1 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -62.6 | 112.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S9 I13 | S9-A11 PolarHBondContact O-N 3.24Å; A11-I13 PolarHBondContact O-N 3.22Å | ||
| 12 | E | 37.2 | Very low | 38.6 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -66.8 | 119.1 | 167.1 | -71.4 | -177.2 | 164.3 | 0 | 0 | 108.3 | A10 P14 | A10-E12 PolarHBondContact O-N 2.74Å; A10-E12 VanDerWaalsContact O-N 3.13Å; E12-P14 WeakPolarHBondContact O-CD 3.38Å | ||
| 13 | I | 37.3 | Very low | 38.7 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -87.6 | 113 | 172.8 | -57.6 | 171.1 | 0 | 0 | 0 | 106.7 | A11 V15 | A11-I13 PolarHBondContact O-N 3.22Å; I13-V15 PolarHBondContact O-N 3.3Å | ||
| 14 | P | 34.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -72.2 | 122.5 | 174.2 | 27.6 | -30.3 | 0 | 0 | 0 | 109.5 | E12 T16 | E12-P14 WeakPolarHBondContact O-CD 3.38Å; P14-T16 PolarHBondContact O-N 3.01Å | ||
| 15 | V | 33.7 | Very low | 38.8 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -82.9 | 99.7 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | I13 | I13-V15 PolarHBondContact O-N 3.3Š| ||
| 16 | T | 42.5 | Very low | 38.7 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -84.6 | 115.4 | 170.4 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | P14 | P14-T16 PolarHBondContact O-N 3.01Š| ||
| 17 | S | 46.5 | Very low | 38.4 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -70.6 | 125 | 162 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 18 | N | 41.9 | Very low | 38 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 69.6 | 113.3 | -177 | -59.1 | -6.9 | 0 | 0 | 0 | 114.1 | E20 | N18-E20 VanDerWaalsContact C-N 3.3Å; N18-E20 PolarHBondContact O-N 2.96Å |
| 19 | G | 41.3 | Very low | 38 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | -68.5 | 81.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 20 | E | 41.3 | Very low | 37.7 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -99.4 | 133 | 159 | -72.6 | -175.3 | 160 | 0 | 0 | 109.1 | N18 | N18-E20 VanDerWaalsContact C-N 3.3Å; N18-E20 PolarHBondContact O-N 2.96Å | ||
| 21 | V | 40.7 | Very low | 37.8 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -81.2 | 120.9 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | D23 | V21-D23 PolarHBondContact O-N 3.17Š| ||
| 22 | D | 35.4 | Very low | 37.5 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -66.5 | 107.7 | 172.7 | -175.2 | 11.7 | 0 | 0 | 0 | 109.4 | S24 | D22-S24 PolarHBondContact OD1-OG 3.46Å; D22-S24 PolarHBondContact OD2-OG 3.04Å; D22-S24 VanDerWaalsContact OD2-OG 3.07Å | ||
| 23 | D | 38 | Very low | 37.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | trans | -104 | 71.5 | 173.4 | -156.7 | -5.5 | 0 | 0 | 0 | 109.3 | V21 R25 | V21-D23 PolarHBondContact O-N 3.17Å; D23-R25 PolarHBondContact O-N 3.15Å | ||
| 24 | S | 36.1 | Very low | 37.4 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 20.1 | -173.1 | -18.3 | 0 | 0 | 0 | 0 | 114.5 | D22 | D22-S24 PolarHBondContact OD1-OG 3.46Å; D22-S24 PolarHBondContact OD2-OG 3.04Å; D22-S24 VanDerWaalsContact OD2-OG 3.07Å |
| 25 | R | 38.6 | Very low | 37.5 | Very low | 230 Ų | 230 | 135.8 Ų | 135.8 | 87% | 0.868 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -9.3 | -177 | -81.3 | -176.6 | 164.4 | 179.2 | -3.7 | 116 | D23 | D23-R25 PolarHBondContact O-N 3.15Š|
| 26 | E | 35.2 | Very low | 37.5 | Very low | 147 Ų | 147 | 133 Ų | 133 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -99.7 | -6.6 | -178.9 | -65.3 | -148.2 | 147.9 | 0 | 0 | 115.3 | G28 | E26-G28 PolarHBondContact O-N 3.33Š|
| 27 | H | 34.7 | Very low | 37.3 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 73% | 0.731 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -82.1 | -6.5 | -175.7 | -79 | 6.2 | 0 | 0 | 0 | 115.6 | ||
| 28 | G | 31.5 | Very low | 36.7 | Very low | 50 Ų | 50 | 135.1 Ų | 135.1 | 52% | 0.515 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -69.5 | -42.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E26 | E26-G28 PolarHBondContact O-N 3.33Å |
| 29 | F | 35.4 | Very low | 36.5 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -81.8 | -24.3 | -171.3 | -76.6 | -82 | 0 | 0 | 0 | 114.5 | R31 | F29-R31 VanDerWaalsContact C-N 3.34Å |
| 30 | N | 32.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.4 | -20.5 | -179.7 | -108.8 | -71.9 | 0 | 0 | 0 | 113.2 | ||
| 31 | R | 37.7 | Very low | 36.1 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.7 | -33.1 | -177.6 | -166.1 | 175.1 | 169 | -149 | -4.3 | 112.2 | F29 | F29-R31 VanDerWaalsContact C-N 3.34Å |
| 32 | D | 34.5 | Very low | 35.7 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -78.2 | -24.5 | -179.7 | -70.7 | -24.5 | 0 | 0 | 0 | 113.5 | S36 | D32-S36 PolarHBondContact O-OG 3.38Å |
| 33 | L | 38.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 61% | 0.613 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -75.3 | -24.9 | 175.4 | -162.9 | 70.1 | 0 | 0 | 0 | 112.9 | S36 | L33-S36 PolarHBondContact O-OG 3.34Å |
| 34 | K | 34.8 | Very low | 35.4 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -15.7 | 179.2 | -71.5 | -174.8 | 179.3 | -176.6 | 0 | 113.6 | ||
| 35 | H | 36.2 | Very low | 35.2 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -0.4 | -179.7 | -85 | -64.4 | 0 | 0 | 0 | 114.6 | ||
| 36 | S | 34.8 | Very low | 34.8 | Very low | 82 Ų | 82 | 132 Ų | 132 | 57% | 0.573 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -116.7 | 7.4 | -170.9 | 37.8 | 0 | 0 | 0 | 0 | 115.6 | D32 L33 | D32-S36 PolarHBondContact O-OG 3.38Å; L33-S36 PolarHBondContact O-OG 3.34Å |
| 37 | L | 37.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 133 Ų | 133 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -113.7 | 123.3 | 178.5 | -73.8 | 162.4 | 0 | 0 | 0 | 111.4 | S39 | L37-S39 PolarHBondContact O-N 3.37Š| ||
| 38 | P | 33.9 | Very low | 34.6 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | -67.7 | 131.8 | 166.5 | -9.9 | 25 | 0 | 0 | 0 | 109.7 | G40 | P38-G40 PolarHBondContact O-N 3.22Š| ||
| 39 | S | 36.8 | Very low | 34.5 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -60.3 | 125.5 | 172.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | L37 | L37-S39 PolarHBondContact O-N 3.37Š|
| 40 | G | 37.7 | Very low | 34.3 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | 115.7 | 94.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P38 | P38-G40 PolarHBondContact O-N 3.22Š| ||
| 41 | L | 36.2 | Very low | 34.2 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -130.2 | 100.6 | 146.7 | -73 | 175.3 | 0 | 0 | 0 | 107.2 | L43 | L41-L43 PolarHBondContact O-N 3.34Å; L41-L43 VanDerWaalsContact O-N 3.15Å | ||
| 42 | G | 33.4 | Very low | 33.8 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | -63.9 | 108.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | S44 | G42-S44 PolarHBondContact O-N 3.48Š| ||
| 43 | L | 35.4 | Very low | 33.6 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -86.5 | 99.3 | 171.5 | -64.7 | 175.2 | 0 | 0 | 0 | 107.4 | L41 E45 | L41-L43 PolarHBondContact O-N 3.34Å; L41-L43 VanDerWaalsContact O-N 3.15Å; L43-E45 PolarHBondContact O-N 3.48Å | ||
| 44 | S | 31 | Very low | 33.2 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 127.1 | 161.6 | -49 | 0 | 0 | 0 | 0 | 108.4 | G42 T46 | G42-S44 PolarHBondContact O-N 3.48Å; S44-T46 PolarHBondContact O-N 2.91Å; S44-T46 VanDerWaalsContact O-N 3.1Å; S44-T46 PolarHBondContact O-OG1 3.12Å | ||
| 45 | E | 32.4 | Very low | 33.1 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -31.5 | 108.9 | 169.4 | -107.1 | 172.3 | 151.5 | 0 | 0 | 112.4 | L43 | L43-E45 PolarHBondContact O-N 3.48Š| ||
| 46 | T | 31.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -97.7 | 94 | 165.9 | -18.8 | 0 | 0 | 0 | 0 | 107.6 | S44 I48 | S44-T46 PolarHBondContact O-N 2.91Å; S44-T46 VanDerWaalsContact O-N 3.1Å; S44-T46 PolarHBondContact O-OG1 3.12Å; T46-I48 PolarHBondContact O-N 3.41Å | ||
| 47 | Q | 28.8 | Very low | 32.9 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -70 | 110.8 | 169.8 | -137.5 | 171.8 | 15.3 | 0 | 0 | 107.5 | T49 | Q47-T49 PolarHBondContact O-N 2.95Å; Q47-T49 VanDerWaalsContact O-N 3.13Å | ||
| 48 | I | 35.1 | Very low | 32.6 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 95.3 | 172.9 | -58.9 | 175.3 | 0 | 0 | 0 | 107.1 | T46 | T46-I48 PolarHBondContact O-N 3.41Š| ||
| 49 | T | 30.4 | Very low | 32.7 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 57% | 0.571 | 80% | 0.804 | S | S | * | * | trans | -85.7 | 124.7 | 167.1 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | Q47 H51 | Q47-T49 PolarHBondContact O-N 2.95Å; Q47-T49 VanDerWaalsContact O-N 3.13Å; T49-H51 PolarHBondContact O-N 3.33Å | ||
| 50 | S | 30.1 | Very low | 32.3 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -75.6 | 103.1 | 173.6 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 51 | H | 31.2 | Very low | 32.2 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | trans | -92.4 | 119.6 | 165 | -78.7 | -77.8 | 0 | 0 | 0 | 109.5 | T49 | T49-H51 PolarHBondContact O-N 3.33Š| ||
| 52 | G | 29.9 | Very low | 31.9 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -65.8 | 134.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 53 | F | 29.8 | Very low | 31.8 | Very low | 210 Ų | 210 | 144.8 Ų | 144.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -108.3 | 123.6 | 167.5 | -120.9 | -88.5 | 0 | 0 | 0 | 108.8 | ||||
| 54 | D | 29.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -82 | 128.5 | 174.1 | -161.8 | 2.2 | 0 | 0 | 0 | 108.8 | ||||
| 55 | N | 32.1 | Very low | 31.5 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | trans | -173 | 118.5 | 142 | -112.6 | -11.7 | 0 | 0 | 0 | 113.7 | ||||
| 56 | T | 33.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 63% | 0.626 | 81% | 0.807 | S | S | * | * | trans | 56.5 | 106.9 | 139.5 | 51.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 57 | K | 34.8 | Very low | 31.4 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | 65.5 | 99.6 | 129.1 | -58.7 | -169.8 | -175.1 | -175 | 0 | 119.3 | |||||
| 58 | E | 31.9 | Very low | 31.4 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | 147.3 | 133.9 | 111.1 | -92 | 179.7 | -178.5 | 0 | 0 | 111.9 | |||||
| 59 | G | 34.4 | Very low | 31.4 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 121.5 | 70.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 60 | V | 29.3 | Very low | 31.8 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -72.6 | 129.3 | 172.2 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 61 | I | 35.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -138.7 | 124.5 | 140.8 | -44.7 | 176.8 | 0 | 0 | 0 | 107.9 | ||||
| 62 | E | 30.4 | Very low | 33 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -89.2 | 137.8 | -165.8 | -169.1 | -179.6 | -164.2 | 0 | 0 | 112.1 | ||||
| 63 | A | 31.3 | Very low | 33.6 | Very low | 102 Ų | 102 | 138 Ų | 138 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -150.4 | 98.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 64 | G | 31.2 | Very low | 34.2 | Very low | 69 Ų | 69 | 136.1 Ų | 136.1 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 54.5 | 106.9 | 143 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 65 | A | 27.6 | Very low | 34.5 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | -77.2 | 131.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 66 | F | 30.3 | Very low | 34.7 | Very low | 214 Ų | 214 | 133.7 Ų | 133.7 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -114.4 | 128.7 | 160.9 | -85.9 | -82.1 | 0 | 0 | 0 | 109.8 | ||||
| 67 | Q | 32.6 | Very low | 34.7 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -106.9 | 124.7 | -171.4 | -156.5 | 176.6 | 10 | 0 | 0 | 109.9 | ||||
| 68 | G | 27.4 | Very low | 34.8 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | 85.9 | 112.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 69 | S | 34.8 | Very low | 35.1 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | -177.1 | 153.5 | 112.6 | -81.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 70 | P | 39.2 | Very low | 35.3 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 152.1 | -159.5 | 25.2 | -12.7 | 0 | 0 | 0 | 115.1 | ||
| 71 | A | 39.2 | Very low | 35.6 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 147.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 72 | P | 48.8 | Very low | 35.9 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 159.4 | 176.5 | 32.1 | -32.8 | 0 | 0 | 0 | 112.6 | ||
| 73 | P | 42.4 | Very low | 36.4 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 148.4 | -170.8 | 31.6 | -33.6 | 0 | 0 | 0 | 113.4 | ||
| 74 | L | 40.6 | Very low | 36.6 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 144.2 | 174.8 | -70.6 | 158.9 | 0 | 0 | 0 | 112 | ||
| 75 | P | 37.8 | Very low | 36.6 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 138.9 | 172.1 | 29.1 | -30.4 | 0 | 0 | 0 | 112.4 | ||
| 76 | S | 34.7 | Very low | 36.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 135.9 | -176.5 | -171.5 | 0 | 0 | 0 | 0 | 114.3 | M78 | S76-M78 PolarHBondContact O-N 3.11Š|
| 77 | V | 34.8 | Very low | 37.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 120.2 | 166.6 | 175.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 78 | M | 37.2 | Very low | 37.2 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 116.4 | 168.9 | -70.8 | -170.3 | 71.6 | 0 | 0 | 109.6 | S76 | S76-M78 PolarHBondContact O-N 3.11Š|
| 79 | S | 37.9 | Very low | 37.4 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 136.9 | 173.5 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 80 | P | 38.5 | Very low | 37.2 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 127.3 | 172.7 | -11.1 | 26.4 | 0 | 0 | 0 | 111.6 | ||
| 81 | S | 34.9 | Very low | 37 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.5 | 177.4 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | V83 | S81-V83 PolarHBondContact O-N 3.35Š|
| 82 | R | 42.5 | Very low | 36.5 | Very low | 255 Ų | 255 | 142.3 Ų | 142.3 | 96% | 0.962 | 83% | 0.834 | S | S | * | * | trans | -59.4 | 94.3 | 170.6 | -79.9 | 175.3 | 158.2 | -178.2 | -5.1 | 112.5 | ||||
| 83 | V | 40.7 | Very low | 35.7 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | trans | -147.9 | 75.7 | 157.3 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | S81 | S81-V83 PolarHBondContact O-N 3.35Š| ||
| 84 | A | 35.1 | Very low | 35.2 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | -167.9 | 66.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 85 | A | 31.1 | Very low | 34.8 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -138.9 | 138.9 | 166 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 86 | S | 32.8 | Very low | 34.6 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 85 | 77.3 | 165.9 | -41.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 87 | R | 38.4 | Very low | 34.5 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -146.7 | 93.6 | 144 | -71 | -161.6 | 178.5 | -167.8 | -0.6 | 109.7 | ||||
| 88 | L | 32.7 | Very low | 34.8 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 95% | 0.953 | 82% | 0.823 | S | S | * | * | trans | 179.5 | 85.8 | 151.7 | -95.9 | 171.5 | 0 | 0 | 0 | 107.8 | ||||
| 89 | A | 31.8 | Very low | 34.6 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -168 | 138.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 90 | Q | 30.7 | Very low | 34.1 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | 86.7 | 89 | 160.8 | -67.6 | 175.4 | 2 | 0 | 0 | 119 | ||||
| 91 | Q | 34.4 | Very low | 33.6 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | trans | -64.9 | 141.7 | 134.6 | -77.8 | 172.1 | -30.4 | 0 | 0 | 110 | ||||
| 92 | G | 29 | Very low | 33.4 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | 167.7 | 86.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 93 | S | 32.4 | Very low | 32.9 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | 51 | 134.8 | 138.2 | -50.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 94 | D | 30.7 | Very low | 32.4 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | trans | 74.4 | 119.5 | 142.7 | -57.9 | -25.3 | 0 | 0 | 0 | 121.6 | ||||
| 95 | L | 33.4 | Very low | 32.2 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | 166.5 | 109.2 | 107 | -82.8 | 166.8 | 0 | 0 | 0 | 112.9 | |||||
| 96 | I | 33 | Very low | 32.4 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | 39.6 | 110.4 | 126.8 | -53.7 | 173.4 | 0 | 0 | 0 | 120.6 | |||||
| 97 | V | 32.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | 36.8 | 132.4 | 122.6 | -174 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 98 | P | 41.3 | Very low | 32.5 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | -137.7 | 135.2 | 91.4 | 21.2 | 1.5 | 0 | 0 | 0 | 113.9 | |||||
| 99 | A | 32.2 | Very low | 32.5 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 85.8 | 120.3 | 74.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 100 | G | 28.4 | Very low | 32.8 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | trans | 85.5 | 138.4 | 162 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 101 | G | 28 | Very low | 33.3 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | cis | 172.3 | 156.4 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 102 | Q | 30.7 | Very low | 33.7 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | trans | 73.6 | 100.7 | 162.3 | -68.9 | -176.1 | -30.5 | 0 | 0 | 122.7 | ||||
| 103 | R | 31.8 | Very low | 34.3 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | 7.4 | 126.5 | 127.7 | -133.8 | 175.1 | -169.4 | -177.8 | 2.2 | 118.9 | |||||
| 104 | T | 30.2 | Very low | 34.8 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | -176.4 | 141 | 121.8 | 25.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 105 | Q | 29.6 | Very low | 35.5 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | 68.1 | 104.4 | 148.4 | -67.6 | -174.7 | 9.8 | 0 | 0 | 122.8 | ||||
| 106 | T | 36 | Very low | 36.4 | Very low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | 13.4 | 123 | 127.6 | 55.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 107 | K | 31.5 | Very low | 37.6 | Very low | 209 Ų | 209 | 137.8 Ų | 137.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -159.6 | 122.2 | 136.1 | -107.3 | 169.4 | -172 | -178 | 0 | 110.7 | ||||
| 108 | S | 41.5 | Very low | 39.1 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | trans | -51.2 | 133.5 | 165.6 | -79.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 109 | G | 33.4 | Very low | 41.1 | Very low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | -138.6 | 152.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 110 | P | 37.5 | Very low | 43.8 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -64.8 | 145.4 | -157.4 | 27.6 | -34.2 | 0 | 0 | 0 | 112.2 | I112 | P110-I112 PolarHBondContact O-N 3.38Š| ||
| 111 | V | 42.3 | Very low | 46.6 | Very low | 133 Ų | 133 | 135 Ų | 135 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -54 | 100.2 | 166.7 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | L113 | V111-L113 PolarHBondContact O-N 2.81Å; V111-L113 VanDerWaalsContact O-N 3.12Å | ||
| 112 | I | 40.9 | Very low | 49.5 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | trans | -68.5 | 105.9 | 160.3 | -59.9 | 176.9 | 0 | 0 | 0 | 103.6 | P110 A114 | P110-I112 PolarHBondContact O-N 3.38Å; I112-A114 VanDerWaalsContact C-N 3.32Å; I112-A114 PolarHBondContact O-N 3.4Å | ||
| 113 | L | 43.1 | Very low | 52.3 | Low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | trans | -50.1 | 107.6 | 161.5 | -72.9 | 165.4 | 0 | 0 | 0 | 105.2 | V111 D115 | V111-L113 PolarHBondContact O-N 2.81Å; V111-L113 VanDerWaalsContact O-N 3.12Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.93Å | ||
| 114 | A | 41.4 | Very low | 55.1 | Low | 85 Ų | 85 | 127.7 Ų | 127.7 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | trans | -55.7 | 107 | 172.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | I112 E116 | I112-A114 VanDerWaalsContact C-N 3.32Å; I112-A114 PolarHBondContact O-N 3.4Å; A114-E116 PolarHBondContact O-N 3.2Å; A114-E116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | D | 46.8 | Very low | 58.1 | Low | 150 Ų | 150 | 126.3 Ų | 126.3 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | trans | -44.8 | 119.4 | 163.7 | -156 | 11.3 | 0 | 0 | 0 | 105.6 | L113 I117 | L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.93Å; D115-I117 PolarHBondContact O-N 3.33Å | ||
| 116 | E | 52.1 | Low | 61.1 | Low | 161 Ų | 161 | 123.1 Ų | 123.1 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | trans | -54.2 | 102.3 | -173.4 | -76.8 | -173.1 | 154.2 | 0 | 0 | 108.3 | A114 K118 | A114-E116 PolarHBondContact O-N 3.2Å; A114-E116 VanDerWaalsContact O-N 3.1Å; E116-K118 PolarHBondContact O-N 3.2Å | ||
| 117 | I | 58.9 | Low | 63.7 | Low | 162 Ų | 162 | 122.8 Ų | 122.8 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | trans | -67.8 | 85.2 | 168.7 | -56.3 | 174.4 | 0 | 0 | 0 | 104.7 | D115 N119 | D115-I117 PolarHBondContact O-N 3.33Å; I117-N119 PolarHBondContact O-N 3.18Å | ||
| 118 | K | 64.1 | Low | 66.7 | Low | 136 Ų | 136 | 117 Ų | 117 | 59% | 0.591 | 66% | 0.657 | S | S | * | * | trans | -52.3 | 114.5 | 174.5 | -77.7 | -178.8 | 179.7 | 175.8 | 0 | 106.8 | E116 P120 E123 | E116-K118 PolarHBondContact O-N 3.2Å; K118-P120 WeakPolarHBondContact O-CD 3.32Å; K118-P120 VanDerWaalsContact O-N 3.17Å; K118-E123 HydrophobicContact CB-CG 4.22Å | ||
| 119 | N | 83.5 | Confident | 69.2 | Low | 93 Ų | 93 | 118.6 Ų | 118.6 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | trans | -56.8 | 122.4 | -177.9 | 177.7 | -3.5 | 0 | 0 | 0 | 108.3 | I117 A121 M122 E123 | I117-N119 PolarHBondContact O-N 3.18Å; N119-A121 PolarHBondContact O-N 3.48Å; N119-A121 WeakPolarHBondContact OD1-CB 3.26Å; N119-A121 PolarHBondContact OD1-N 3.35Å; N119-A121 VanDerWaalsContact OD1-N 3.11Å; N119-M122 HydrophobicContact CB-CB 4.31Å; N119-M122 HydrophobicContact CB-CG 4.03Å; N119-M122 WeakPolarHBondContact O-CA 3.43Å; N119-M122 WeakPolarHBondContact O-CB 3.46Å; N119-M122 PolarHBondContact O-N 3.09Å; N119-E123 PolarHBondContact O-N 3.33Å | ||
| 120 | P | 87.3 | Confident | 71.9 | Confident | 83 Ų | 83 | 121.9 Ų | 121.9 | 54% | 0.539 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -54 | -26.6 | -179.6 | -28.7 | 35.3 | 0 | 0 | 0 | 113.8 | K118 K124 | K118-P120 WeakPolarHBondContact O-CD 3.32Å; K118-P120 VanDerWaalsContact O-N 3.17Å; P120-K124 WeakPolarHBondContact O-CG 3.22Å; P120-K124 PolarHBondContact O-N 3.43Å |
| 121 | A | 87.7 | Confident | 74.6 | Confident | 60 Ų | 60 | 123.9 Ų | 123.9 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.3 | -36.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N119 L125 | N119-A121 PolarHBondContact O-N 3.48Å; N119-A121 WeakPolarHBondContact OD1-CB 3.26Å; N119-A121 PolarHBondContact OD1-N 3.35Å; N119-A121 VanDerWaalsContact OD1-N 3.11Å; A121-L125 PolarHBondContact O-N 2.82Å |
| 122 | M | 88.4 | Confident | 77.1 | Confident | 100 Ų | 100 | 120.3 Ų | 120.3 | 49% | 0.493 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.3 | -39.2 | 177.2 | -71 | -60.7 | -60 | 0 | 0 | 111.7 | N119 K124 L125 E126 | N119-M122 HydrophobicContact CB-CB 4.31Å; N119-M122 HydrophobicContact CB-CG 4.03Å; N119-M122 WeakPolarHBondContact O-CA 3.43Å; N119-M122 WeakPolarHBondContact O-CB 3.46Å; N119-M122 PolarHBondContact O-N 3.09Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.22Å; M122-L125 HydrophobicContact CE-CD2 4.48Å; M122-L125 PolarHBondContact O-N 2.98Å; M122-L125 HydrophobicContact SD-CD2 4.39Å; M122-E126 PolarHBondContact O-N 3.11Å |
| 123 | E | 90.5 | Very high | 79.6 | Confident | 111 Ų | 111 | 117.4 Ų | 117.4 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.4 | -40.4 | 175.2 | -63.7 | -172 | 155.1 | 0 | 0 | 112 | K118 N119 E126 L127 | K118-E123 HydrophobicContact CB-CG 4.22Å; N119-E123 PolarHBondContact O-N 3.33Å; E123-E126 PolarHBondContact O-N 3.45Å; E123-L127 WeakPolarHBondContact O-CB 3.24Å; E123-L127 PolarHBondContact O-N 2.96Å |
| 124 | K | 90.9 | Very high | 82.1 | Confident | 149 Ų | 149 | 111.2 Ų | 111.2 | 65% | 0.648 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 173.4 | -73.4 | -179.9 | 179.9 | -174.7 | 0 | 111.8 | P120 M122 L127 V128 | P120-K124 WeakPolarHBondContact O-CG 3.22Å; P120-K124 PolarHBondContact O-N 3.43Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.22Å; K124-L127 PolarHBondContact O-N 2.9Å; K124-V128 WeakPolarHBondContact O-CG2 3.28Å; K124-V128 PolarHBondContact O-N 2.77Å |
| 125 | L | 93.2 | Very high | 84.6 | Confident | 102 Ų | 102 | 109.6 Ų | 109.6 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 177.1 | -176.2 | 66.5 | 0 | 0 | 0 | 111.4 | A121 M122 L127 V128 R129 | A121-L125 PolarHBondContact O-N 2.82Å; M122-L125 HydrophobicContact CE-CD2 4.48Å; M122-L125 PolarHBondContact O-N 2.98Å; M122-L125 HydrophobicContact SD-CD2 4.39Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.02Å; L125-V128 PolarHBondContact O-N 2.73Å; L125-R129 WeakPolarHBondContact O-CB 3.48Å; L125-R129 PolarHBondContact O-N 3.43Å |
| 126 | E | 91.1 | Very high | 87 | Confident | 104 Ų | 104 | 108.9 Ų | 108.9 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 175.9 | -76.5 | -57.1 | 137.4 | 0 | 0 | 112.2 | M122 E123 V128 R129 K130 | M122-E126 PolarHBondContact O-N 3.11Å; E123-E126 PolarHBondContact O-N 3.45Å; E126-V128 PolarHBondContact O-N 3.24Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-K130 WeakPolarHBondContact O-CB 3.37Å; E126-K130 PolarHBondContact O-N 3.07Å |
| 127 | L | 92 | Very high | 89.1 | Confident | 120 Ų | 120 | 102.2 Ų | 102.2 | 63% | 0.628 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 174.6 | -174 | 64.7 | 0 | 0 | 0 | 111.5 | E123 K124 L125 R129 K130 W131 | E123-L127 WeakPolarHBondContact O-CB 3.24Å; E123-L127 PolarHBondContact O-N 2.96Å; K124-L127 PolarHBondContact O-N 2.9Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.02Å; L127-R129 VanDerWaalsContact C-N 3.34Å; L127-K130 PolarHBondContact O-N 3.37Å; L127-W131 VanDerWaalsContact O-CB 3.27Å; L127-W131 WeakPolarHBondContact O-CB 3.45Å; L127-W131 PolarHBondContact O-N 3.43Å |
| 128 | V | 94 | Very high | 90.9 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.527 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111 | K124 L125 E126 W131 S132 | K124-V128 WeakPolarHBondContact O-CG2 3.28Å; K124-V128 PolarHBondContact O-N 2.77Å; L125-V128 PolarHBondContact O-N 2.73Å; E126-V128 PolarHBondContact O-N 3.24Å; V128-W131 PolarHBondContact O-N 2.87Å; V128-S132 WeakPolarHBondContact O-CB 3.38Å; V128-S132 PolarHBondContact O-N 3.34Å; V128-S132 PolarHBondContact O-OG 2.99Å |
| 129 | R | 94 | Very high | 92.5 | Very high | 169 Ų | 169 | 92 Ų | 92 | 64% | 0.638 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 176.3 | -177.6 | -175.8 | 173 | 81.3 | 3.1 | 111.8 | L125 E126 L127 W131 S132 L133 | L125-R129 WeakPolarHBondContact O-CB 3.48Å; L125-R129 PolarHBondContact O-N 3.43Å; E126-R129 PolarHBondContact O-N 2.83Å; L127-R129 VanDerWaalsContact C-N 3.34Å; R129-W131 VanDerWaalsContact C-N 3.34Å; R129-S132 PolarHBondContact O-N 3.24Å; R129-S132 PolarHBondContact O-OG 2.9Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 PolarHBondContact O-N 3.39Å; R129-L133 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 91.1 | Very high | 93.2 | Very high | 131 Ų | 131 | 91.1 Ų | 91.1 | 57% | 0.57 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 177.2 | -174.8 | 177.8 | 179 | 180 | 0 | 110.8 | E126 L127 N134 | E126-K130 WeakPolarHBondContact O-CB 3.37Å; E126-K130 PolarHBondContact O-N 3.07Å; L127-K130 PolarHBondContact O-N 3.37Å; K130-N134 VanDerWaalsContact O-CB 3.32Å; K130-N134 WeakPolarHBondContact O-CB 2.96Å; K130-N134 PolarHBondContact O-N 3.24Å |
| 131 | W | 92.8 | Very high | 93.6 | Very high | 161 Ų | 161 | 87.5 Ų | 87.5 | 61% | 0.61 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.9 | -48 | 176.9 | 174.9 | 83.7 | 0 | 0 | 0 | 112 | L127 V128 R129 L133 N134 T135 | L127-W131 VanDerWaalsContact O-CB 3.27Å; L127-W131 WeakPolarHBondContact O-CB 3.45Å; L127-W131 PolarHBondContact O-N 3.43Å; V128-W131 PolarHBondContact O-N 2.87Å; R129-W131 VanDerWaalsContact C-N 3.34Å; W131-L133 PolarHBondContact O-N 3.41Å; W131-N134 PolarHBondContact O-N 3.22Å; W131-T135 WeakPolarHBondContact O-CB 3.48Å; W131-T135 PolarHBondContact O-N 3.49Å; W131-T135 PolarHBondContact O-OG1 3.38Å |
| 132 | S | 95.4 | Very high | 94 | Very high | 57 Ų | 57 | 87.4 Ų | 87.4 | 40% | 0.399 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | -178.4 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | V128 R129 T135 Y136 | V128-S132 WeakPolarHBondContact O-CB 3.38Å; V128-S132 PolarHBondContact O-N 3.34Å; V128-S132 PolarHBondContact O-OG 2.99Å; R129-S132 PolarHBondContact O-N 3.24Å; R129-S132 PolarHBondContact O-OG 2.9Å; S132-T135 PolarHBondContact O-N 2.79Å; S132-Y136 WeakPolarHBondContact O-CB 3.35Å; S132-Y136 PolarHBondContact O-N 2.98Å |
| 133 | L | 93.8 | Very high | 94.4 | Very high | 91 Ų | 91 | 86.8 Ų | 86.8 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 174.1 | -178.7 | 62.2 | 0 | 0 | 0 | 111.5 | R129 W131 Y136 K137 | R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 PolarHBondContact O-N 3.39Å; R129-L133 VanDerWaalsContact O-N 3.09Å; W131-L133 PolarHBondContact O-N 3.41Å; L133-Y136 PolarHBondContact O-N 3.41Å; L133-K137 WeakPolarHBondContact O-CG 3.46Å; L133-K137 PolarHBondContact O-N 3.05Å |
| 134 | N | 94.3 | Very high | 94.6 | Very high | 24 Ų | 24 | 83.2 Ų | 83.2 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 177.4 | -168.5 | 66.5 | 0 | 0 | 0 | 111.4 | K130 W131 Y136 K137 C138 E266 Y270 | K130-N134 VanDerWaalsContact O-CB 3.32Å; K130-N134 WeakPolarHBondContact O-CB 2.96Å; K130-N134 PolarHBondContact O-N 3.24Å; W131-N134 PolarHBondContact O-N 3.22Å; N134-Y136 VanDerWaalsContact C-N 3.3Å; N134-Y136 PolarHBondContact O-N 3.37Å; N134-K137 PolarHBondContact O-N 3.01Å; N134-C138 PolarHBondContact O-N 3.14Å; N134-C138 PolarHBondContact O-SG 2.87Å; N134-E266 PolarHBondContact ND2-OE1 3.29Å; N134-Y270 WeakPolarHBondContact OD1-CE2 3.34Å; N134-Y270 PolarHBondContact OD1-OH 3.34Å |
| 135 | T | 95.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 77.8 Ų | 77.8 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 177.2 | -63 | 0 | 0 | 0 | 0 | 111.3 | W131 S132 C138 T139 | W131-T135 WeakPolarHBondContact O-CB 3.48Å; W131-T135 PolarHBondContact O-N 3.49Å; W131-T135 PolarHBondContact O-OG1 3.38Å; S132-T135 PolarHBondContact O-N 2.79Å; T135-C138 PolarHBondContact O-N 3.17Å; T135-T139 VanDerWaalsContact O-CB 3.31Å; T135-T139 WeakPolarHBondContact O-CB 3.28Å; T135-T139 PolarHBondContact O-N 3.01Å; T135-T139 PolarHBondContact O-OG1 3.38Å |
| 136 | Y | 97.3 | Very high | 94.9 | Very high | 134 Ų | 134 | 81.3 Ų | 81.3 | 53% | 0.525 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 176.5 | 168.8 | -105.6 | 0 | 0 | 0 | 112.1 | S132 L133 N134 T139 R140 | S132-Y136 WeakPolarHBondContact O-CB 3.35Å; S132-Y136 PolarHBondContact O-N 2.98Å; L133-Y136 PolarHBondContact O-N 3.41Å; N134-Y136 VanDerWaalsContact C-N 3.3Å; N134-Y136 PolarHBondContact O-N 3.37Å; Y136-T139 PolarHBondContact O-N 3.3Å; Y136-R140 WeakPolarHBondContact O-CB 3.49Å; Y136-R140 PolarHBondContact O-N 2.97Å; Y136-R140 PolarHBondContact OH-NH1 3.46Å |
| 137 | K | 95.7 | Very high | 95 | Very high | 22 Ų | 22 | 81.7 Ų | 81.7 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.7 | -49.2 | 177.2 | -70.8 | -179.8 | -178.5 | -147.8 | 0 | 111.8 | L133 N134 T139 R140 Q141 A269 Y270 D273 | L133-K137 WeakPolarHBondContact O-CG 3.46Å; L133-K137 PolarHBondContact O-N 3.05Å; N134-K137 PolarHBondContact O-N 3.01Å; K137-T139 VanDerWaalsContact C-N 3.34Å; K137-T139 PolarHBondContact O-N 2.99Å; K137-R140 PolarHBondContact O-N 2.99Å; K137-Q141 WeakPolarHBondContact O-CB 3.38Å; K137-Q141 PolarHBondContact O-N 2.96Å; K137-A269 HydrophobicContact CB-CB 4.13Å; K137-Y270 HydrophobicContact CD-CE1 4Å; K137-Y270 HydrophobicContact CD-CE2 4.34Å; K137-Y270 VanDerWaalsContact NZ-CE1 3.31Å; K137-D273 VanDerWaalsContact CD-OD2 3.24Å; K137-D273 WeakPolarHBondContact CD-OD2 3.45Å; K137-D273 WeakPolarHBondContact CE-OD2 3.43Å; K137-D273 IonicContact NZ-OD2 2.65Å; K137-D273 PolarHBondContact NZ-OD2 3.36Å |
| 138 | C | 97.1 | Very high | 95 | Very high | 17 Ų | 17 | 79.3 Ų | 79.3 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | N134 T135 Q141 I142 I265 E266 | N134-C138 PolarHBondContact O-N 3.14Å; N134-C138 PolarHBondContact O-SG 2.87Å; T135-C138 PolarHBondContact O-N 3.17Å; C138-Q141 WeakPolarHBondContact O-CB 3.41Å; C138-Q141 PolarHBondContact O-N 3.31Å; C138-I142 WeakPolarHBondContact O-CD1 3.34Å; C138-I142 VanDerWaalsContact O-CG1 3.25Å; C138-I142 WeakPolarHBondContact O-CG1 3.43Å; C138-I142 PolarHBondContact O-N 3.4Å; C138-I265 HydrophobicContact CB-CG2 3.79Å; C138-E266 VanDerWaalsContact SG-CG 3.53Å |
| 139 | T | 97.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 85.4 Ų | 85.4 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 111 | T135 Y136 K137 Q141 I142 I143 | T135-T139 VanDerWaalsContact O-CB 3.31Å; T135-T139 WeakPolarHBondContact O-CB 3.28Å; T135-T139 PolarHBondContact O-N 3.01Å; T135-T139 PolarHBondContact O-OG1 3.38Å; Y136-T139 PolarHBondContact O-N 3.3Å; K137-T139 VanDerWaalsContact C-N 3.34Å; K137-T139 PolarHBondContact O-N 2.99Å; T139-Q141 VanDerWaalsContact C-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.05Å; T139-I142 PolarHBondContact O-N 2.99Å; T139-I143 HydrophobicContact CG2-CD1 3.95Å; T139-I143 WeakPolarHBondContact O-CG1 3.41Å; T139-I143 PolarHBondContact O-N 3.34Å |
| 140 | R | 96.9 | Very high | 94.3 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 28% | 0.279 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 174.7 | -176.2 | 176.3 | 64.9 | -147.3 | 1.6 | 111.1 | Y136 K137 I143 S144 D273 | Y136-R140 WeakPolarHBondContact O-CB 3.49Å; Y136-R140 PolarHBondContact O-N 2.97Å; Y136-R140 PolarHBondContact OH-NH1 3.46Å; K137-R140 PolarHBondContact O-N 2.99Å; R140-I143 PolarHBondContact O-N 3.29Å; R140-S144 WeakPolarHBondContact O-CB 3.48Å; R140-S144 PolarHBondContact O-N 2.66Å; R140-S144 PolarHBondContact O-OG 3.49Å; R140-S144 VanDerWaalsContact O-OG 3.09Å; R140-D273 IonicContact CZ-OD1 3.67Å; R140-D273 IonicContact NH2-OD1 3.44Å; R140-D273 PolarHBondContact NH2-OD1 2.73Å; R140-D273 IonicContact NH2-OD2 2.69Å |
| 141 | Q | 97.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.028 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 177.2 | -179.7 | 59.5 | 30.6 | 0 | 0 | 111.8 | K137 C138 T139 I143 S144 E145 S151 I265 D268 A269 T272 | K137-Q141 WeakPolarHBondContact O-CB 3.38Å; K137-Q141 PolarHBondContact O-N 2.96Å; C138-Q141 WeakPolarHBondContact O-CB 3.41Å; C138-Q141 PolarHBondContact O-N 3.31Å; T139-Q141 VanDerWaalsContact C-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.05Å; Q141-I143 VanDerWaalsContact C-N 3.33Å; Q141-I143 PolarHBondContact O-N 3.42Å; Q141-S144 PolarHBondContact O-N 2.83Å; Q141-E145 PolarHBondContact NE2-OE1 3.47Å; Q141-E145 WeakPolarHBondContact O-CG 3.32Å; Q141-E145 PolarHBondContact O-N 2.88Å; Q141-S151 PolarHBondContact NE2-O 3.24Å; Q141-I265 HydrophobicContact CB-CG2 4.43Å; Q141-I265 HydrophobicContact CG-CG2 4.37Å; Q141-D268 HydrophobicContact CG-CB 3.94Å; Q141-A269 HydrophobicContact CB-CB 3.84Å; Q141-A269 HydrophobicContact CG-CB 4.23Å; Q141-T272 PolarHBondContact OE1-OG1 3.34Å |
| 142 | I | 96 | Very high | 94.3 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 30% | 0.297 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 178.1 | -68.1 | 162.1 | 0 | 0 | 0 | 111.3 | C138 T139 K146 I265 | C138-I142 WeakPolarHBondContact O-CD1 3.34Å; C138-I142 VanDerWaalsContact O-CG1 3.25Å; C138-I142 WeakPolarHBondContact O-CG1 3.43Å; C138-I142 PolarHBondContact O-N 3.4Å; T139-I142 PolarHBondContact O-N 2.99Å; I142-K146 HydrophobicContact CG2-CD 4.26Å; I142-K146 WeakPolarHBondContact O-CG 3.33Å; I142-K146 PolarHBondContact O-N 3.17Å; I142-I265 HydrophobicContact CD1-CD1 4.08Å; I142-I265 HydrophobicContact CD1-CG2 4.15Å; I142-I265 HydrophobicContact CG1-CD1 3.95Å; I142-I265 HydrophobicContact CG1-CG1 4.32Å; I142-I265 HydrophobicContact CG1-CG2 3.82Å |
| 143 | I | 96.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 70.8 Ų | 70.8 | 45% | 0.451 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 179.7 | -67.2 | 168.8 | 0 | 0 | 0 | 110.2 | T139 R140 Q141 E145 K146 L147 | T139-I143 HydrophobicContact CG2-CD1 3.95Å; T139-I143 WeakPolarHBondContact O-CG1 3.41Å; T139-I143 PolarHBondContact O-N 3.34Å; R140-I143 PolarHBondContact O-N 3.29Å; Q141-I143 VanDerWaalsContact C-N 3.33Å; Q141-I143 PolarHBondContact O-N 3.42Å; I143-E145 PolarHBondContact O-N 3.3Å; I143-K146 PolarHBondContact O-N 2.83Å; I143-L147 HydrophobicContact CG2-CD1 3.81Å; I143-L147 HydrophobicContact CG2-CG 4.37Å; I143-L147 WeakPolarHBondContact O-CB 3.4Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.87Å |
| 144 | S | 95.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 69.9 Ų | 69.9 | 25% | 0.252 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.9 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | R140 Q141 L147 G148 R149 G150 | R140-S144 WeakPolarHBondContact O-CB 3.48Å; R140-S144 PolarHBondContact O-N 2.66Å; R140-S144 PolarHBondContact O-OG 3.49Å; R140-S144 VanDerWaalsContact O-OG 3.09Å; Q141-S144 PolarHBondContact O-N 2.83Å; S144-L147 PolarHBondContact O-N 3.38Å; S144-G148 PolarHBondContact O-N 3.47Å; S144-R149 PolarHBondContact O-N 2.78Å; S144-G150 VanDerWaalsContact C-N 3.35Å; S144-G150 PolarHBondContact O-N 2.95Å |
| 145 | E | 95.1 | Very high | 94.6 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.8 | -72.7 | 179.2 | -153.5 | 0 | 0 | 111.6 | Q141 I143 L147 G148 R152 R264 | Q141-E145 PolarHBondContact NE2-OE1 3.47Å; Q141-E145 WeakPolarHBondContact O-CG 3.32Å; Q141-E145 PolarHBondContact O-N 2.88Å; I143-E145 PolarHBondContact O-N 3.3Å; E145-L147 PolarHBondContact O-N 2.96Å; E145-G148 PolarHBondContact O-N 3.34Å; E145-R152 HydrophobicContact CG-CB 4.16Å; E145-R264 IonicContact OE1-NH2 2.62Å; E145-R264 PolarHBondContact OE1-NH2 3.39Å; E145-R264 IonicContact OE2-CZ 3.51Å; E145-R264 IonicContact OE2-NH2 3.94Å; E145-R264 PolarHBondContact OE2-NH2 2.93Å |
| 146 | K | 93.6 | Very high | 94.6 | Very high | 175 Ų | 175 | 73.9 Ų | 73.9 | 76% | 0.761 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.8 | -30.8 | 179.7 | -75.5 | -177 | 177.5 | -174.1 | 0 | 113.2 | I142 I143 G148 | I142-K146 HydrophobicContact CG2-CD 4.26Å; I142-K146 WeakPolarHBondContact O-CG 3.33Å; I142-K146 PolarHBondContact O-N 3.17Å; I143-K146 PolarHBondContact O-N 2.83Å; K146-G148 VanDerWaalsContact C-N 3.3Å |
| 147 | L | 95 | Very high | 94.6 | Very high | 112 Ų | 112 | 74.1 Ų | 74.1 | 59% | 0.586 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.9 | 176.4 | -66.7 | 176.7 | 0 | 0 | 0 | 113.3 | I143 S144 E145 R149 | I143-L147 HydrophobicContact CG2-CD1 3.81Å; I143-L147 HydrophobicContact CG2-CG 4.37Å; I143-L147 WeakPolarHBondContact O-CB 3.4Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 2.87Å; S144-L147 PolarHBondContact O-N 3.38Å; E145-L147 PolarHBondContact O-N 2.96Å; L147-R149 HydrophobicContact CB-CG 4.38Å; L147-R149 PolarHBondContact O-N 3.21Å |
| 148 | G | 91.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 73% | 0.732 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 17.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S144 E145 K146 | S144-G148 PolarHBondContact O-N 3.47Å; E145-G148 PolarHBondContact O-N 3.34Å; K146-G148 VanDerWaalsContact C-N 3.3Å |
| 149 | R | 89.6 | Confident | 94.7 | Very high | 214 Ų | 214 | 74.8 Ų | 74.8 | 81% | 0.808 | 39% | 0.388 | S | S | * | . | trans | -103.1 | -19.8 | -178.5 | -65.4 | -178.7 | 178.2 | 172.1 | -1.1 | 113.1 | S144 L147 | S144-R149 PolarHBondContact O-N 2.78Å; L147-R149 HydrophobicContact CB-CG 4.38Å; L147-R149 PolarHBondContact O-N 3.21Å | ||
| 150 | G | 83.3 | Confident | 94.7 | Very high | 23 Ų | 23 | 74 Ų | 74 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -99.8 | 141.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S144 | S144-G150 VanDerWaalsContact C-N 3.35Å; S144-G150 PolarHBondContact O-N 2.95Å |
| 151 | S | 90.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 73.3 Ų | 73.3 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | trans | -78.1 | 131.3 | 170.6 | 38.5 | 0 | 0 | 0 | 0 | 110.3 | Q141 R271 | Q141-S151 PolarHBondContact NE2-O 3.24Å; S151-R271 PolarHBondContact O-NH2 3.09Å; S151-R271 PolarHBondContact OG-NH1 3.41Å; S151-R271 PolarHBondContact OG-NH2 2.95Å | ||
| 152 | R | 94.9 | Very high | 94.8 | Very high | 101 Ų | 101 | 73.2 Ų | 73.2 | 38% | 0.381 | 39% | 0.388 | S | S | . | . | trans | -111.4 | 130.4 | -177.5 | -179.3 | -177.3 | -178.4 | -83.3 | -1.7 | 109.8 | E145 V154 E159 R264 | E145-R152 HydrophobicContact CG-CB 4.16Å; R152-V154 HydrophobicContact CG-CG2 4.32Å; R152-V154 VanDerWaalsContact NH1-CG2 3.34Å; R152-V154 WeakPolarHBondContact O-CG2 3.29Å; R152-E159 IonicContact CZ-OE1 3.72Å; R152-E159 IonicContact NH1-OE1 3.62Å; R152-E159 PolarHBondContact NH1-OE1 2.86Å; R152-E159 IonicContact NH1-OE2 3.78Å; R152-E159 IonicContact NH2-OE1 2.74Å; R152-E159 PolarHBondContact NH2-OE1 3.36Å; R152-R264 VanDerWaalsContact NE-NH1 3.1Å; R152-R264 VanDerWaalsContact NH2-NH1 3.16Å | ||
| 153 | T | 96.2 | Very high | 94.9 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | trans | -72.8 | 133.2 | 169.7 | -66.8 | 0 | 0 | 0 | 0 | 110.3 | R264 Y267 D268 Y304 | T153-R264 HydrophobicContact CG2-CG 4.48Å; T153-R264 WeakPolarHBondContact O-CD 3.41Å; T153-Y267 HydrophobicContact CG2-CE1 4.29Å; T153-Y267 WeakPolarHBondContact OG1-CE1 3.39Å; T153-D268 WeakPolarHBondContact CB-OD1 3.43Å; T153-D268 PolarHBondContact N-OD1 3.41Å; T153-D268 PolarHBondContact N-OD2 2.95Å; T153-D268 PolarHBondContact OG1-OD1 2.84Å; T153-Y304 HydrophobicContact CG2-CE1 4.09Å; T153-Y304 HydrophobicContact CG2-CE2 4.44Å; T153-Y304 WeakPolarHBondContact CG2-OH 3.31Å | ||
| 154 | V | 95.4 | Very high | 95 | Very high | 72 Ų | 72 | 75.5 Ų | 75.5 | 44% | 0.436 | 40% | 0.4 | S | S | . | . | trans | -132 | 131.6 | -175 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | R152 L156 E159 | R152-V154 HydrophobicContact CG-CG2 4.32Å; R152-V154 VanDerWaalsContact NH1-CG2 3.34Å; R152-V154 WeakPolarHBondContact O-CG2 3.29Å; V154-L156 HydrophobicContact CG1-CD2 3.7Å; V154-L156 HydrophobicContact CG1-CG 4.21Å; V154-E159 WeakPolarHBondContact CG1-OE2 3.41Å | ||
| 155 | D | 96.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 11% | 0.112 | 39% | 0.392 | C | S | . | . | trans | -116.8 | 98.9 | 165.9 | -175.7 | -28.7 | 0 | 0 | 0 | 108 | E157 L158 E159 R308 | D155-E157 VanDerWaalsContact C-N 3.3Å; D155-E157 PolarHBondContact O-N 3.45Å; D155-E157 PolarHBondContact OD1-N 2.93Å; D155-L158 HydrophobicContact CB-CB 3.94Å; D155-L158 VanDerWaalsContact CG-CB 3.45Å; D155-L158 PolarHBondContact O-N 3.41Å; D155-L158 PolarHBondContact OD1-N 3.34Å; D155-E159 WeakPolarHBondContact O-CB 3.4Å; D155-E159 VanDerWaalsContact O-CG 3.26Å; D155-E159 WeakPolarHBondContact O-CG 3.39Å; D155-E159 PolarHBondContact O-N 2.91Å; D155-R308 IonicContact OD2-CZ 3.75Å; D155-R308 IonicContact OD2-NE 2.69Å; D155-R308 PolarHBondContact OD2-NE 2.85Å; D155-R308 IonicContact OD2-NH2 2.7Å; D155-R308 PolarHBondContact OD2-NH2 3.25Å | ||
| 156 | L | 96.8 | Very high | 95.3 | Very high | 138 Ų | 138 | 76.9 Ų | 76.9 | 72% | 0.723 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.8 | -36.7 | -172.8 | -64.5 | 173.2 | 0 | 0 | 0 | 112.7 | V154 A160 | V154-L156 HydrophobicContact CG1-CD2 3.7Å; V154-L156 HydrophobicContact CG1-CG 4.21Å; L156-A160 WeakPolarHBondContact O-CB 3.45Å; L156-A160 PolarHBondContact O-N 3.18Å; L156-A160 VanDerWaalsContact O-N 3.08Å |
| 157 | E | 96.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 72 Ų | 72 | 65% | 0.654 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.7 | -47.3 | -179.5 | -173 | -174.5 | 167.9 | 0 | 0 | 110.1 | D155 E159 A160 Q161 | D155-E157 VanDerWaalsContact C-N 3.3Å; D155-E157 PolarHBondContact O-N 3.45Å; D155-E157 PolarHBondContact OD1-N 2.93Å; E157-E159 PolarHBondContact O-N 3.45Å; E157-A160 PolarHBondContact O-N 2.84Å; E157-Q161 WeakPolarHBondContact O-CG 3.11Å; E157-Q161 PolarHBondContact O-N 3.02Å; E157-Q161 PolarHBondContact OE1-NE2 3.24Å |
| 158 | L | 96.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | -179.9 | -165.6 | 63.1 | 0 | 0 | 0 | 111.7 | D155 Q161 I162 Y260 R308 V311 L315 | D155-L158 HydrophobicContact CB-CB 3.94Å; D155-L158 VanDerWaalsContact CG-CB 3.45Å; D155-L158 PolarHBondContact O-N 3.41Å; D155-L158 PolarHBondContact OD1-N 3.34Å; L158-Q161 PolarHBondContact O-N 3.4Å; L158-I162 HydrophobicContact CG-CD1 4.05Å; L158-I162 WeakPolarHBondContact O-CB 3.36Å; L158-I162 WeakPolarHBondContact O-CD1 3.47Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 2.99Å; L158-Y260 HydrophobicContact CD2-CE1 3.99Å; L158-Y260 HydrophobicContact CD2-CE2 4.07Å; L158-R308 HydrophobicContact CD2-CG 3.96Å; L158-V311 HydrophobicContact CD1-CG1 3.92Å; L158-V311 HydrophobicContact CD2-CB 4.46Å; L158-V311 HydrophobicContact CD2-CG1 4.28Å; L158-V311 HydrophobicContact CG-CG1 4.31Å; L158-L315 HydrophobicContact CD1-CD1 3.67Å |
| 159 | E | 97.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 174.7 | -76.4 | -176.2 | 177.3 | 0 | 0 | 111.8 | R152 V154 D155 E157 Q161 I162 D163 | R152-E159 IonicContact CZ-OE1 3.72Å; R152-E159 IonicContact NH1-OE1 3.62Å; R152-E159 PolarHBondContact NH1-OE1 2.86Å; R152-E159 IonicContact NH1-OE2 3.78Å; R152-E159 IonicContact NH2-OE1 2.74Å; R152-E159 PolarHBondContact NH2-OE1 3.36Å; V154-E159 WeakPolarHBondContact CG1-OE2 3.41Å; D155-E159 WeakPolarHBondContact O-CB 3.4Å; D155-E159 VanDerWaalsContact O-CG 3.26Å; D155-E159 WeakPolarHBondContact O-CG 3.39Å; D155-E159 PolarHBondContact O-N 2.91Å; E157-E159 PolarHBondContact O-N 3.45Å; E159-Q161 VanDerWaalsContact C-N 3.32Å; E159-Q161 PolarHBondContact O-N 3.29Å; E159-I162 PolarHBondContact O-N 2.9Å; E159-D163 PolarHBondContact O-N 3.27Å |
| 160 | A | 98.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L156 E157 D163 I164 | L156-A160 WeakPolarHBondContact O-CB 3.45Å; L156-A160 PolarHBondContact O-N 3.18Å; L156-A160 VanDerWaalsContact O-N 3.08Å; E157-A160 PolarHBondContact O-N 2.84Å; A160-D163 PolarHBondContact O-N 3.26Å; A160-I164 VanDerWaalsContact O-CG1 3.28Å; A160-I164 WeakPolarHBondContact O-CG1 3.48Å; A160-I164 PolarHBondContact O-N 3.06Å |
| 161 | Q | 98.2 | Very high | 97.1 | Very high | 59 Ų | 59 | 67 Ų | 67 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.8 | -68.3 | 178.2 | 25.4 | 0 | 0 | 112.4 | E157 L158 E159 I164 L165 L315 | E157-Q161 WeakPolarHBondContact O-CG 3.11Å; E157-Q161 PolarHBondContact O-N 3.02Å; E157-Q161 PolarHBondContact OE1-NE2 3.24Å; L158-Q161 PolarHBondContact O-N 3.4Å; E159-Q161 VanDerWaalsContact C-N 3.32Å; E159-Q161 PolarHBondContact O-N 3.29Å; Q161-I164 PolarHBondContact O-N 3.41Å; Q161-L165 PolarHBondContact O-N 3.38Å; Q161-L315 HydrophobicContact CB-CD1 3.99Å |
| 162 | I | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.2 | -71.3 | 163.1 | 0 | 0 | 0 | 111 | L158 E159 L165 R166 V257 Y260 V311 L315 | L158-I162 HydrophobicContact CG-CD1 4.05Å; L158-I162 WeakPolarHBondContact O-CB 3.36Å; L158-I162 WeakPolarHBondContact O-CD1 3.47Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 2.99Å; E159-I162 PolarHBondContact O-N 2.9Å; I162-L165 WeakPolarHBondContact O-CB 3.42Å; I162-L165 PolarHBondContact O-N 3.37Å; I162-R166 HydrophobicContact CG2-CG 4.48Å; I162-R166 WeakPolarHBondContact O-CG 3.23Å; I162-R166 PolarHBondContact O-N 3.5Å; I162-V257 HydrophobicContact CD1-CG1 3.82Å; I162-V257 HydrophobicContact CD1-CG2 4.14Å; I162-V257 HydrophobicContact CG1-CG1 4.15Å; I162-V257 HydrophobicContact CG1-CG2 3.9Å; I162-V257 HydrophobicContact CG2-CG1 3.83Å; I162-Y260 HydrophobicContact CD1-CD1 4.49Å; I162-Y260 HydrophobicContact CD1-CE1 4.43Å; I162-V311 HydrophobicContact CD1-CG1 4.36Å; I162-L315 HydrophobicContact CG1-CD1 4.32Å |
| 163 | D | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 64.3 Ų | 64.3 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 178.9 | -75.5 | -16.3 | 0 | 0 | 0 | 111.6 | E159 A160 L165 R166 D167 | E159-D163 PolarHBondContact O-N 3.27Å; A160-D163 PolarHBondContact O-N 3.26Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.17Å; D163-R166 PolarHBondContact O-N 3.34Å; D163-R166 IonicContact OD1-NH1 3.14Å; D163-D167 WeakPolarHBondContact O-CB 3.26Å; D163-D167 PolarHBondContact O-N 2.93Å |
| 164 | I | 97.9 | Very high | 97.7 | Very high | 100 Ų | 100 | 67.2 Ų | 67.2 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -42.6 | 170.9 | -68.9 | 165.2 | 0 | 0 | 0 | 110.6 | A160 Q161 D167 N168 | A160-I164 VanDerWaalsContact O-CG1 3.28Å; A160-I164 WeakPolarHBondContact O-CG1 3.48Å; A160-I164 PolarHBondContact O-N 3.06Å; Q161-I164 PolarHBondContact O-N 3.41Å; I164-D167 PolarHBondContact O-N 3.23Å; I164-N168 WeakPolarHBondContact CG2-ND2 3.46Å; I164-N168 VanDerWaalsContact O-CB 3.29Å; I164-N168 WeakPolarHBondContact O-CB 3.26Å; I164-N168 PolarHBondContact O-N 3.39Å; I164-N168 PolarHBondContact O-ND2 3.3Å |
| 165 | L | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.073 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61 | -47 | 176.7 | 173.9 | 61.3 | 0 | 0 | 0 | 111.8 | Q161 I162 D163 D167 N168 K169 I250 T253 L254 L315 L318 | Q161-L165 PolarHBondContact O-N 3.38Å; I162-L165 WeakPolarHBondContact O-CB 3.42Å; I162-L165 PolarHBondContact O-N 3.37Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.17Å; L165-D167 VanDerWaalsContact C-N 3.35Å; L165-D167 PolarHBondContact O-N 3.11Å; L165-N168 PolarHBondContact O-N 2.97Å; L165-K169 PolarHBondContact O-N 3.46Å; L165-I250 HydrophobicContact CD1-CG1 4.3Å; L165-I250 HydrophobicContact CD1-CG2 3.9Å; L165-I250 HydrophobicContact CG-CG2 4.49Å; L165-T253 HydrophobicContact CD2-CG2 3.83Å; L165-L254 HydrophobicContact CD2-CD2 3.75Å; L165-L254 HydrophobicContact CD2-CG 4.19Å; L165-L254 HydrophobicContact CG-CD2 4.16Å; L165-L315 HydrophobicContact CB-CD2 4.36Å; L165-L315 HydrophobicContact CD2-CD2 3.65Å; L165-L318 HydrophobicContact CD1-CD2 3.41Å; L165-L318 VanDerWaalsContact CD1-CD2 3.41Å; L165-L318 HydrophobicContact CD2-CD2 4.03Å; L165-L318 HydrophobicContact CG-CD2 4.37Å |
| 166 | R | 98.5 | Very high | 97.9 | Very high | 87 Ų | 87 | 66.7 Ų | 66.7 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.9 | -73.5 | 169.6 | 172.3 | 156 | -1.1 | 111.6 | I162 D163 K169 K170 L254 E261 | I162-R166 HydrophobicContact CG2-CG 4.48Å; I162-R166 WeakPolarHBondContact O-CG 3.23Å; I162-R166 PolarHBondContact O-N 3.5Å; D163-R166 PolarHBondContact O-N 3.34Å; D163-R166 IonicContact OD1-NH1 3.14Å; R166-K169 PolarHBondContact O-N 3.27Å; R166-K170 WeakPolarHBondContact O-CG 3.48Å; R166-K170 PolarHBondContact O-N 2.89Å; R166-L254 HydrophobicContact CG-CD2 4.09Å; R166-E261 IonicContact CZ-OE1 2.62Å; R166-E261 IonicContact NH1-OE1 2.66Å; R166-E261 IonicContact NH2-OE1 3.44Å; R166-E261 PolarHBondContact NH2-OE1 3Å; R166-E261 IonicContact NH2-OE2 3.98Å |
| 167 | D | 98.4 | Very high | 98 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 176.4 | -178.6 | 56.4 | 0 | 0 | 0 | 112 | D163 I164 L165 K169 K170 K171 | D163-D167 WeakPolarHBondContact O-CB 3.26Å; D163-D167 PolarHBondContact O-N 2.93Å; I164-D167 PolarHBondContact O-N 3.23Å; L165-D167 VanDerWaalsContact C-N 3.35Å; L165-D167 PolarHBondContact O-N 3.11Å; D167-K169 VanDerWaalsContact C-N 3.33Å; D167-K169 PolarHBondContact O-N 2.96Å; D167-K170 PolarHBondContact O-N 3.48Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.38Å; D167-K171 IonicContact OD1-NZ 2.64Å; D167-K171 WeakPolarHBondContact OD2-CE 3.42Å; D167-K171 IonicContact OD2-NZ 3.36Å; D167-K171 PolarHBondContact OD2-NZ 2.88Å |
| 168 | N | 97.2 | Very high | 98.1 | Very high | 31 Ų | 31 | 64.9 Ų | 64.9 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.2 | -76 | -22.1 | 0 | 0 | 0 | 112 | I164 L165 K170 K171 Y172 | I164-N168 WeakPolarHBondContact CG2-ND2 3.46Å; I164-N168 VanDerWaalsContact O-CB 3.29Å; I164-N168 WeakPolarHBondContact O-CB 3.26Å; I164-N168 PolarHBondContact O-N 3.39Å; I164-N168 PolarHBondContact O-ND2 3.3Å; L165-N168 PolarHBondContact O-N 2.97Å; N168-K170 PolarHBondContact O-N 2.86Å; N168-K171 PolarHBondContact O-N 3.07Å; N168-Y172 HydrophobicContact CB-CE2 4.01Å; N168-Y172 VanDerWaalsContact O-CD2 3.25Å; N168-Y172 WeakPolarHBondContact O-CD2 3.34Å; N168-Y172 PolarHBondContact O-N 3.24Å |
| 169 | K | 97.9 | Very high | 98.2 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.7 | -51.7 | 174.7 | -174.9 | 177.7 | -174.8 | -78.8 | 0 | 111.1 | L165 R166 D167 K171 Y172 E173 V246 I250 E251 L254 | L165-K169 PolarHBondContact O-N 3.46Å; R166-K169 PolarHBondContact O-N 3.27Å; D167-K169 VanDerWaalsContact C-N 3.33Å; D167-K169 PolarHBondContact O-N 2.96Å; K169-K171 VanDerWaalsContact C-N 3.32Å; K169-K171 PolarHBondContact O-N 3.44Å; K169-Y172 PolarHBondContact O-N 3.46Å; K169-Y172 VanDerWaalsContact O-N 3.16Å; K169-E173 HydrophobicContact CG-CG 4.44Å; K169-E173 IonicContact NZ-OE1 3.01Å; K169-E173 PolarHBondContact NZ-OE1 2.82Å; K169-E173 IonicContact NZ-OE2 2.74Å; K169-E173 WeakPolarHBondContact O-CG 3.31Å; K169-E173 PolarHBondContact O-N 3.49Å; K169-V246 HydrophobicContact CG-CG1 4.17Å; K169-I250 HydrophobicContact CB-CG2 4.03Å; K169-I250 HydrophobicContact CD-CG2 3.83Å; K169-I250 HydrophobicContact CG-CG2 3.99Å; K169-E251 VanDerWaalsContact CE-OE2 3.26Å; K169-E251 WeakPolarHBondContact CE-OE2 3.1Å; K169-E251 IonicContact NZ-OE2 3.7Å; K169-L254 HydrophobicContact CD-CD1 3.48Å; K169-L254 VanDerWaalsContact CD-CD1 3.48Å |
| 170 | K | 98.4 | Very high | 98.3 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 62% | 0.617 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.8 | -42.8 | 179.3 | -68.3 | 174.7 | -177.4 | 178.3 | 0 | 112.2 | R166 D167 N168 E173 N174 | R166-K170 WeakPolarHBondContact O-CG 3.48Å; R166-K170 PolarHBondContact O-N 2.89Å; D167-K170 PolarHBondContact O-N 3.48Å; N168-K170 PolarHBondContact O-N 2.86Å; K170-E173 PolarHBondContact O-N 3.43Å; K170-N174 PolarHBondContact O-N 3.37Å |
| 171 | K | 98.3 | Very high | 98.3 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 48% | 0.478 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 177.3 | -72.1 | 170.1 | 175 | 168.6 | 0 | 111.7 | D167 N168 K169 N174 I175 | D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.38Å; D167-K171 IonicContact OD1-NZ 2.64Å; D167-K171 WeakPolarHBondContact OD2-CE 3.42Å; D167-K171 IonicContact OD2-NZ 3.36Å; D167-K171 PolarHBondContact OD2-NZ 2.88Å; N168-K171 PolarHBondContact O-N 3.07Å; K169-K171 VanDerWaalsContact C-N 3.32Å; K169-K171 PolarHBondContact O-N 3.44Å; K171-N174 PolarHBondContact O-N 2.88Å; K171-I175 WeakPolarHBondContact O-CG1 3.47Å; K171-I175 PolarHBondContact O-N 3.27Å; K171-I175 VanDerWaalsContact O-N 3.09Å |
| 172 | Y | 98.3 | Very high | 98.3 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.7 | -35.1 | 178.3 | -59 | -27 | 0 | 0 | 0 | 112.9 | N168 K169 N174 I175 L176 V246 I250 K322 L326 | N168-Y172 HydrophobicContact CB-CE2 4.01Å; N168-Y172 VanDerWaalsContact O-CD2 3.25Å; N168-Y172 WeakPolarHBondContact O-CD2 3.34Å; N168-Y172 PolarHBondContact O-N 3.24Å; K169-Y172 PolarHBondContact O-N 3.46Å; K169-Y172 VanDerWaalsContact O-N 3.16Å; Y172-N174 VanDerWaalsContact C-N 3.3Å; Y172-N174 PolarHBondContact O-N 3.46Å; Y172-I175 HydrophobicContact CD1-CD1 4.35Å; Y172-I175 PolarHBondContact O-N 3.4Å; Y172-L176 WeakPolarHBondContact O-CB 3.31Å; Y172-L176 PolarHBondContact O-N 2.83Å; Y172-V246 VanDerWaalsContact CB-CG2 3.48Å; Y172-V246 HydrophobicContact CD2-CG2 4.46Å; Y172-V246 HydrophobicContact CG-CG2 4.44Å; Y172-I250 HydrophobicContact CD2-CD1 3.9Å; Y172-I250 HydrophobicContact CE2-CD1 4.27Å; Y172-K322 HydrophobicContact CE2-CD 3.94Å; Y172-K322 HydrophobicContact CE2-CG 4.15Å; Y172-K322 WeakPolarHBondContact OH-CD 3.35Å; Y172-L326 HydrophobicContact CE1-CD1 3.79Å; Y172-L326 HydrophobicContact CE2-CD1 3.99Å; Y172-L326 VanDerWaalsContact CZ-CD1 3.47Å; Y172-L326 WeakPolarHBondContact OH-CD1 3.46Å |
| 173 | E | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 67.8 Ų | 67.8 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 170.5 | -73.6 | 172.7 | 148.5 | 0 | 0 | 111.6 | K169 K170 L176 K177 V246 | K169-E173 HydrophobicContact CG-CG 4.44Å; K169-E173 IonicContact NZ-OE1 3.01Å; K169-E173 PolarHBondContact NZ-OE1 2.82Å; K169-E173 IonicContact NZ-OE2 2.74Å; K169-E173 WeakPolarHBondContact O-CG 3.31Å; K169-E173 PolarHBondContact O-N 3.49Å; K170-E173 PolarHBondContact O-N 3.43Å; E173-L176 WeakPolarHBondContact O-CB 3.41Å; E173-L176 PolarHBondContact O-N 2.95Å; E173-K177 WeakPolarHBondContact O-CB 3.37Å; E173-K177 PolarHBondContact O-N 3.14Å; E173-V246 HydrophobicContact CG-CG1 3.51Å |
| 174 | N | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 67 Ų | 67 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.3 | -175.1 | 55.8 | 0 | 0 | 0 | 111.9 | K170 K171 Y172 L176 K177 L178 | K170-N174 PolarHBondContact O-N 3.37Å; K171-N174 PolarHBondContact O-N 2.88Å; Y172-N174 VanDerWaalsContact C-N 3.3Å; Y172-N174 PolarHBondContact O-N 3.46Å; N174-L176 VanDerWaalsContact C-N 3.31Å; N174-L176 PolarHBondContact O-N 2.95Å; N174-K177 PolarHBondContact O-N 3.31Å; N174-L178 WeakPolarHBondContact O-CG 3.45Å; N174-L178 PolarHBondContact O-N 2.97Å |
| 175 | I | 98 | Very high | 98.4 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 174.2 | -69.1 | 171.7 | 0 | 0 | 0 | 110.8 | K171 Y172 K177 L178 A179 F238 | K171-I175 WeakPolarHBondContact O-CG1 3.47Å; K171-I175 PolarHBondContact O-N 3.27Å; K171-I175 VanDerWaalsContact O-N 3.09Å; Y172-I175 HydrophobicContact CD1-CD1 4.35Å; Y172-I175 PolarHBondContact O-N 3.4Å; I175-K177 PolarHBondContact O-N 3.38Å; I175-L178 PolarHBondContact O-N 2.85Å; I175-A179 WeakPolarHBondContact O-CB 3.24Å; I175-A179 PolarHBondContact O-N 2.95Å; I175-F238 HydrophobicContact CG2-CE1 4.24Å; I175-F238 HydrophobicContact CG2-CZ 4.15Å |
| 176 | L | 98.2 | Very high | 98.4 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 178 | -178.7 | 62.4 | 0 | 0 | 0 | 111.4 | Y172 E173 N174 L178 A179 Q180 I239 V242 N243 | Y172-L176 WeakPolarHBondContact O-CB 3.31Å; Y172-L176 PolarHBondContact O-N 2.83Å; E173-L176 WeakPolarHBondContact O-CB 3.41Å; E173-L176 PolarHBondContact O-N 2.95Å; N174-L176 VanDerWaalsContact C-N 3.31Å; N174-L176 PolarHBondContact O-N 2.95Å; L176-L178 PolarHBondContact O-N 3.48Å; L176-A179 PolarHBondContact O-N 3.01Å; L176-Q180 WeakPolarHBondContact O-CB 3.17Å; L176-Q180 VanDerWaalsContact O-CG 3.27Å; L176-Q180 WeakPolarHBondContact O-CG 3.27Å; L176-Q180 PolarHBondContact O-N 2.88Å; L176-I239 HydrophobicContact CD1-CB 4.3Å; L176-I239 HydrophobicContact CD1-CG2 3.79Å; L176-I239 WeakPolarHBondContact CD1-O 3.47Å; L176-V242 HydrophobicContact CB-CG1 4.31Å; L176-V242 HydrophobicContact CD1-CB 4.37Å; L176-V242 HydrophobicContact CD1-CG1 4.39Å; L176-N243 HydrophobicContact CD1-CB 4.11Å; L176-N243 HydrophobicContact CD2-CB 3.96Å |
| 177 | K | 98.6 | Very high | 98.4 | Very high | 138 Ų | 138 | 69.2 Ų | 69.2 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 176.5 | -176.6 | 178.9 | 179.7 | 176.3 | 0 | 112 | E173 N174 I175 Q180 T181 | E173-K177 WeakPolarHBondContact O-CB 3.37Å; E173-K177 PolarHBondContact O-N 3.14Å; N174-K177 PolarHBondContact O-N 3.31Å; I175-K177 PolarHBondContact O-N 3.38Å; K177-Q180 PolarHBondContact O-N 3.45Å; K177-T181 PolarHBondContact O-N 3.2Å; K177-T181 PolarHBondContact O-OG1 3.43Å |
| 178 | L | 98.8 | Very high | 98.4 | Very high | 103 Ų | 103 | 71.3 Ų | 71.3 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 177 | -68.7 | 172.3 | 0 | 0 | 0 | 111.7 | N174 I175 L176 T181 L182 | N174-L178 WeakPolarHBondContact O-CG 3.45Å; N174-L178 PolarHBondContact O-N 2.97Å; I175-L178 PolarHBondContact O-N 2.85Å; L176-L178 PolarHBondContact O-N 3.48Å; L178-T181 WeakPolarHBondContact O-CB 3.33Å; L178-T181 PolarHBondContact O-N 3.4Å; L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 PolarHBondContact O-N 3.08Å |
| 179 | A | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 73.6 Ų | 73.6 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I175 L176 L182 S183 F238 I239 | I175-A179 WeakPolarHBondContact O-CB 3.24Å; I175-A179 PolarHBondContact O-N 2.95Å; L176-A179 PolarHBondContact O-N 3.01Å; A179-L182 PolarHBondContact O-N 3.26Å; A179-S183 WeakPolarHBondContact O-CB 3.35Å; A179-S183 PolarHBondContact O-N 3Å; A179-F238 HydrophobicContact CB-CD1 4.07Å; A179-F238 HydrophobicContact CB-CE1 3.96Å; A179-I239 HydrophobicContact CB-CD1 4.38Å; A179-I239 HydrophobicContact CB-CG1 3.8Å |
| 180 | Q | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 72.4 Ų | 72.4 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 173 | -73.8 | 169.2 | -17.9 | 0 | 0 | 111.6 | L176 K177 L182 S183 T184 I239 | L176-Q180 WeakPolarHBondContact O-CB 3.17Å; L176-Q180 VanDerWaalsContact O-CG 3.27Å; L176-Q180 WeakPolarHBondContact O-CG 3.27Å; L176-Q180 PolarHBondContact O-N 2.88Å; K177-Q180 PolarHBondContact O-N 3.45Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L182 PolarHBondContact O-N 3.24Å; Q180-S183 WeakPolarHBondContact O-CB 3.48Å; Q180-S183 PolarHBondContact O-N 3.43Å; Q180-T184 PolarHBondContact O-N 3.41Å; Q180-T184 PolarHBondContact O-OG1 2.95Å; Q180-I239 HydrophobicContact CG-CD1 4.1Å; Q180-I239 HydrophobicContact CG-CG1 4.32Å; Q180-I239 HydrophobicContact CG-CG2 3.85Å |
| 181 | T | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 69.9 Ų | 69.9 | 37% | 0.368 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111 | K177 L178 S183 T184 Q185 | K177-T181 PolarHBondContact O-N 3.2Å; K177-T181 PolarHBondContact O-OG1 3.43Å; L178-T181 WeakPolarHBondContact O-CB 3.33Å; L178-T181 PolarHBondContact O-N 3.4Å; T181-S183 PolarHBondContact O-N 3.34Å; T181-T184 PolarHBondContact O-N 2.64Å; T181-Q185 HydrophobicContact CG2-CG 4.49Å; T181-Q185 WeakPolarHBondContact O-CB 3.38Å; T181-Q185 VanDerWaalsContact O-CG 3.31Å; T181-Q185 WeakPolarHBondContact O-CG 3.43Å; T181-Q185 PolarHBondContact O-N 2.85Å |
| 182 | L | 98.5 | Very high | 98.5 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.7 | 178.7 | 63.7 | 0 | 0 | 0 | 111.7 | L178 A179 Q180 Q185 L186 I235 F333 | L178-L182 WeakPolarHBondContact O-CB 3.46Å; L178-L182 PolarHBondContact O-N 3.08Å; A179-L182 PolarHBondContact O-N 3.26Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L182 PolarHBondContact O-N 3.24Å; L182-Q185 PolarHBondContact O-N 2.62Å; L182-L186 VanDerWaalsContact O-CB 3.24Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 2.94Å; L182-I235 HydrophobicContact CD2-CD1 4.02Å; L182-I235 HydrophobicContact CG-CD1 4.17Å; L182-F333 HydrophobicContact CD2-CZ 4.06Å |
| 183 | S | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | A179 Q180 T181 Q185 L186 F187 L232 N236 | A179-S183 WeakPolarHBondContact O-CB 3.35Å; A179-S183 PolarHBondContact O-N 3Å; Q180-S183 WeakPolarHBondContact O-CB 3.48Å; Q180-S183 PolarHBondContact O-N 3.43Å; T181-S183 PolarHBondContact O-N 3.34Å; S183-Q185 PolarHBondContact O-N 3.39Å; S183-L186 PolarHBondContact O-N 3.16Å; S183-F187 WeakPolarHBondContact O-CB 3.3Å; S183-F187 PolarHBondContact O-N 3.09Å; S183-L232 VanDerWaalsContact O-CD1 3.26Å; S183-L232 WeakPolarHBondContact O-CD1 3.34Å; S183-L232 WeakPolarHBondContact OG-CD1 3.42Å; S183-N236 PolarHBondContact OG-OD1 3.37Å |
| 184 | T | 98.7 | Very high | 98.4 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 112 | Q180 T181 F187 Q188 | Q180-T184 PolarHBondContact O-N 3.41Å; Q180-T184 PolarHBondContact O-OG1 2.95Å; T181-T184 PolarHBondContact O-N 2.64Å; T184-F187 PolarHBondContact O-N 3.36Å; T184-Q188 WeakPolarHBondContact O-CG 3.5Å; T184-Q188 PolarHBondContact O-N 2.87Å; T184-Q188 VanDerWaalsContact O-N 3.08Å |
| 185 | Q | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 70.5 Ų | 70.5 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 178.6 | -72.1 | 173.7 | -20.1 | 0 | 0 | 111.7 | T181 L182 S183 Q188 M189 | T181-Q185 HydrophobicContact CG2-CG 4.49Å; T181-Q185 WeakPolarHBondContact O-CB 3.38Å; T181-Q185 VanDerWaalsContact O-CG 3.31Å; T181-Q185 WeakPolarHBondContact O-CG 3.43Å; T181-Q185 PolarHBondContact O-N 2.85Å; L182-Q185 PolarHBondContact O-N 2.62Å; S183-Q185 PolarHBondContact O-N 3.39Å; Q185-Q188 PolarHBondContact O-N 3.22Å; Q185-M189 WeakPolarHBondContact O-CB 3.37Å; Q185-M189 PolarHBondContact O-N 3.04Å |
| 186 | L | 98.3 | Very high | 98.4 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.4 | 178.7 | 61.6 | 0 | 0 | 0 | 111.4 | L182 S183 Q188 M189 V190 L231 L232 I235 | L182-L186 VanDerWaalsContact O-CB 3.24Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 2.94Å; S183-L186 PolarHBondContact O-N 3.16Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; L186-Q188 PolarHBondContact O-N 2.92Å; L186-M189 HydrophobicContact CD1-CE 3.48Å; L186-M189 VanDerWaalsContact CD1-CE 3.48Å; L186-M189 PolarHBondContact O-N 3.33Å; L186-V190 HydrophobicContact CD1-CG2 4.05Å; L186-V190 HydrophobicContact CG-CG2 4.35Å; L186-V190 WeakPolarHBondContact O-CB 3.22Å; L186-V190 VanDerWaalsContact O-CG2 3.3Å; L186-V190 WeakPolarHBondContact O-CG2 3.27Å; L186-V190 PolarHBondContact O-N 3.36Å; L186-L231 HydrophobicContact CD2-CB 4.17Å; L186-L231 HydrophobicContact CD2-CD2 3.71Å; L186-L231 HydrophobicContact CD2-CG 3.73Å; L186-L232 HydrophobicContact CB-CD1 4.28Å; L186-L232 HydrophobicContact CD2-CB 4.24Å; L186-L232 HydrophobicContact CD2-CD1 4.17Å; L186-L232 HydrophobicContact CG-CD1 4.27Å; L186-I235 HydrophobicContact CD2-CD1 3.75Å |
| 187 | F | 98.6 | Very high | 98.4 | Very high | 118 Ų | 118 | 69.8 Ų | 69.8 | 52% | 0.518 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 176 | 172.6 | -96.8 | 0 | 0 | 0 | 111.7 | S183 T184 V190 H191 L232 | S183-F187 WeakPolarHBondContact O-CB 3.3Å; S183-F187 PolarHBondContact O-N 3.09Å; T184-F187 PolarHBondContact O-N 3.36Å; F187-V190 PolarHBondContact O-N 3.26Å; F187-H191 WeakPolarHBondContact O-CB 3.27Å; F187-H191 PolarHBondContact O-N 3.46Å; F187-L232 HydrophobicContact CB-CD1 4.07Å; F187-L232 HydrophobicContact CB-CD2 4.06Å; F187-L232 HydrophobicContact CD2-CD2 3.77Å; F187-L232 HydrophobicContact CG-CD2 4.42Å |
| 188 | Q | 98.7 | Very high | 98.4 | Very high | 115 Ų | 115 | 67.3 Ų | 67.3 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.7 | -70.5 | 173.9 | -1.8 | 0 | 0 | 111.5 | T184 Q185 L186 H191 T192 | T184-Q188 WeakPolarHBondContact O-CG 3.5Å; T184-Q188 PolarHBondContact O-N 2.87Å; T184-Q188 VanDerWaalsContact O-N 3.08Å; Q185-Q188 PolarHBondContact O-N 3.22Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; L186-Q188 PolarHBondContact O-N 2.92Å; Q188-H191 WeakPolarHBondContact O-CB 3.48Å; Q188-H191 PolarHBondContact O-N 3.45Å; Q188-T192 PolarHBondContact O-N 3.42Å; Q188-T192 PolarHBondContact O-OG1 3.28Å |
| 189 | M | 98.2 | Very high | 98.4 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 39% | 0.389 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59 | -49.5 | 177.2 | -175.2 | -172.5 | 83.3 | 0 | 0 | 111.7 | Q185 L186 H191 T192 Q193 | Q185-M189 WeakPolarHBondContact O-CB 3.37Å; Q185-M189 PolarHBondContact O-N 3.04Å; L186-M189 HydrophobicContact CD1-CE 3.48Å; L186-M189 VanDerWaalsContact CD1-CE 3.48Å; L186-M189 PolarHBondContact O-N 3.33Å; M189-H191 VanDerWaalsContact C-N 3.28Å; M189-H191 PolarHBondContact O-N 3.03Å; M189-T192 PolarHBondContact O-N 3.09Å; M189-Q193 HydrophobicContact CG-CG 4.48Å; M189-Q193 VanDerWaalsContact O-CG 3.31Å; M189-Q193 WeakPolarHBondContact O-CG 3.14Å; M189-Q193 PolarHBondContact O-N 3.22Å |
| 190 | V | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.036 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 178.2 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | L186 F187 Q193 R194 A225 E229 | L186-V190 HydrophobicContact CD1-CG2 4.05Å; L186-V190 HydrophobicContact CG-CG2 4.35Å; L186-V190 WeakPolarHBondContact O-CB 3.22Å; L186-V190 VanDerWaalsContact O-CG2 3.3Å; L186-V190 WeakPolarHBondContact O-CG2 3.27Å; L186-V190 PolarHBondContact O-N 3.36Å; F187-V190 PolarHBondContact O-N 3.26Å; V190-Q193 PolarHBondContact O-N 3.43Å; V190-R194 PolarHBondContact O-N 2.89Å; V190-A225 HydrophobicContact CG1-CB 4.21Å; V190-E229 HydrophobicContact CG1-CG 3.83Å |
| 191 | H | 98.1 | Very high | 98.3 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.7 | -174.8 | 70 | 0 | 0 | 0 | 112 | F187 Q188 M189 R194 Q195 | F187-H191 WeakPolarHBondContact O-CB 3.27Å; F187-H191 PolarHBondContact O-N 3.46Å; Q188-H191 WeakPolarHBondContact O-CB 3.48Å; Q188-H191 PolarHBondContact O-N 3.45Å; M189-H191 VanDerWaalsContact C-N 3.28Å; M189-H191 PolarHBondContact O-N 3.03Å; H191-R194 PolarHBondContact O-N 3.3Å; H191-Q195 PolarHBondContact CD2-NE2 3.42Å; H191-Q195 PolarHBondContact NE2-NE2 3.03Å; H191-Q195 PolarHBondContact O-N 3.37Å |
| 192 | T | 98.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 64.2 Ų | 64.2 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | Q188 M189 R194 Q195 L196 | Q188-T192 PolarHBondContact O-N 3.42Å; Q188-T192 PolarHBondContact O-OG1 3.28Å; M189-T192 PolarHBondContact O-N 3.09Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 2.86Å; T192-Q195 PolarHBondContact O-N 3.29Å; T192-L196 WeakPolarHBondContact O-CB 3.43Å; T192-L196 PolarHBondContact O-N 2.96Å |
| 193 | Q | 97.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.2 | -72.9 | 177.5 | -31.8 | 0 | 0 | 111.5 | M189 V190 L196 G197 Q221 A225 | M189-Q193 HydrophobicContact CG-CG 4.48Å; M189-Q193 VanDerWaalsContact O-CG 3.31Å; M189-Q193 WeakPolarHBondContact O-CG 3.14Å; M189-Q193 PolarHBondContact O-N 3.22Å; V190-Q193 PolarHBondContact O-N 3.43Å; Q193-L196 PolarHBondContact O-N 3.47Å; Q193-G197 PolarHBondContact O-N 2.91Å; Q193-Q221 WeakPolarHBondContact O-CB 3.38Å; Q193-A225 HydrophobicContact CB-CB 4.03Å |
| 194 | R | 98 | Very high | 98 | Very high | 101 Ų | 101 | 64.4 Ų | 64.4 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.8 | -50.7 | 175 | -179.9 | 174.2 | -74.7 | 142.1 | -0 | 111.8 | V190 H191 T192 L196 G197 D198 E229 | V190-R194 PolarHBondContact O-N 2.89Å; H191-R194 PolarHBondContact O-N 3.3Å; T192-R194 VanDerWaalsContact C-N 3.3Å; T192-R194 PolarHBondContact O-N 2.86Å; R194-L196 VanDerWaalsContact C-N 3.29Å; R194-L196 PolarHBondContact O-N 3.49Å; R194-G197 PolarHBondContact O-N 3.46Å; R194-D198 PolarHBondContact O-N 3.34Å; R194-E229 IonicContact CZ-OE1 2.83Å; R194-E229 IonicContact NH1-OE1 2.66Å; R194-E229 PolarHBondContact NH1-OE1 3.32Å; R194-E229 VanDerWaalsContact NH2-CD 3.28Å; R194-E229 IonicContact NH2-OE1 3.2Å; R194-E229 PolarHBondContact NH2-OE1 2.87Å; R194-E229 IonicContact NH2-OE2 3.51Å; R194-E229 PolarHBondContact NH2-OE2 3.25Å |
| 195 | Q | 98.4 | Very high | 97.8 | Very high | 111 Ų | 111 | 67.5 Ų | 67.5 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 179 | -66.6 | -175.9 | 2.5 | 0 | 0 | 112.2 | H191 T192 D198 A199 | H191-Q195 PolarHBondContact CD2-NE2 3.42Å; H191-Q195 PolarHBondContact NE2-NE2 3.03Å; H191-Q195 PolarHBondContact O-N 3.37Å; T192-Q195 PolarHBondContact O-N 3.29Å; Q195-D198 PolarHBondContact O-N 2.78Å; Q195-A199 WeakPolarHBondContact O-CB 3.37Å; Q195-A199 PolarHBondContact O-N 2.95Å |
| 196 | L | 98.2 | Very high | 97.6 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 35% | 0.346 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.5 | -173.1 | 61.1 | 0 | 0 | 0 | 111.4 | T192 Q193 R194 D198 A199 F200 Q221 | T192-L196 WeakPolarHBondContact O-CB 3.43Å; T192-L196 PolarHBondContact O-N 2.96Å; Q193-L196 PolarHBondContact O-N 3.47Å; R194-L196 VanDerWaalsContact C-N 3.29Å; R194-L196 PolarHBondContact O-N 3.49Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-D198 PolarHBondContact O-N 3.29Å; L196-A199 PolarHBondContact O-N 3.18Å; L196-F200 HydrophobicContact CD1-CD2 4.24Å; L196-F200 HydrophobicContact CD1-CE1 4.26Å; L196-F200 HydrophobicContact CD1-CE2 3.69Å; L196-F200 HydrophobicContact CD1-CZ 3.71Å; L196-F200 HydrophobicContact CD2-CE2 3.9Å; L196-F200 HydrophobicContact CD2-CZ 4.4Å; L196-F200 HydrophobicContact CG-CD2 3.92Å; L196-F200 HydrophobicContact CG-CE2 3.46Å; L196-F200 VanDerWaalsContact CG-CE2 3.46Å; L196-F200 HydrophobicContact CG-CZ 4.02Å; L196-F200 VanDerWaalsContact O-CD2 3.29Å; L196-F200 WeakPolarHBondContact O-CD2 3.46Å; L196-F200 WeakPolarHBondContact O-CG 3.09Å; L196-F200 PolarHBondContact O-N 3.48Å; L196-Q221 HydrophobicContact CB-CG 4.47Å; L196-Q221 HydrophobicContact CD2-CG 4.06Å; L196-Q221 HydrophobicContact CG-CG 4.19Å |
| 197 | G | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q193 R194 A201 A218 | Q193-G197 PolarHBondContact O-N 2.91Å; R194-G197 PolarHBondContact O-N 3.46Å; G197-A201 WeakPolarHBondContact O-CB 3.44Å; G197-A201 PolarHBondContact O-N 3.08Å; G197-A218 WeakPolarHBondContact O-CB 3.25Å |
| 198 | D | 98.2 | Very high | 96.4 | Very high | 86 Ų | 86 | 72.4 Ų | 72.4 | 46% | 0.46 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | 176.7 | -67.5 | -22.8 | 0 | 0 | 0 | 111.8 | R194 Q195 L196 A201 D202 | R194-D198 PolarHBondContact O-N 3.34Å; Q195-D198 PolarHBondContact O-N 2.78Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-D198 PolarHBondContact O-N 3.29Å; D198-A201 PolarHBondContact O-N 3.37Å; D198-D202 PolarHBondContact O-N 3.44Å |
| 199 | A | 98.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 75.4 Ų | 75.4 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q195 L196 D202 L203 | Q195-A199 WeakPolarHBondContact O-CB 3.37Å; Q195-A199 PolarHBondContact O-N 2.95Å; L196-A199 PolarHBondContact O-N 3.18Å; A199-D202 PolarHBondContact O-N 3.17Å; A199-L203 WeakPolarHBondContact O-CG 3.42Å; A199-L203 PolarHBondContact O-N 3.22Å |
| 200 | F | 98 | Very high | 95.7 | Very high | 42 Ų | 42 | 75.4 Ų | 75.4 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 174.8 | -71.8 | -36.5 | 0 | 0 | 0 | 112.4 | L196 D202 L203 S204 F214 N217 A218 Q221 | L196-F200 HydrophobicContact CD1-CD2 4.24Å; L196-F200 HydrophobicContact CD1-CE1 4.26Å; L196-F200 HydrophobicContact CD1-CE2 3.69Å; L196-F200 HydrophobicContact CD1-CZ 3.71Å; L196-F200 HydrophobicContact CD2-CE2 3.9Å; L196-F200 HydrophobicContact CD2-CZ 4.4Å; L196-F200 HydrophobicContact CG-CD2 3.92Å; L196-F200 HydrophobicContact CG-CE2 3.46Å; L196-F200 VanDerWaalsContact CG-CE2 3.46Å; L196-F200 HydrophobicContact CG-CZ 4.02Å; L196-F200 VanDerWaalsContact O-CD2 3.29Å; L196-F200 WeakPolarHBondContact O-CD2 3.46Å; L196-F200 WeakPolarHBondContact O-CG 3.09Å; L196-F200 PolarHBondContact O-N 3.48Å; F200-D202 VanDerWaalsContact C-N 3.31Å; F200-D202 PolarHBondContact O-N 3.38Å; F200-L203 PolarHBondContact O-N 2.66Å; F200-S204 WeakPolarHBondContact O-CB 3.5Å; F200-S204 PolarHBondContact O-N 3.31Å; F200-F214 AromaticContact CD1-CD1 3.58Å; F200-F214 HydrophobicContact CD1-CD1 3.58Å; F200-F214 AromaticContact CD1-CE1 3.94Å; F200-F214 HydrophobicContact CD1-CE1 3.94Å; F200-F214 HydrophobicContact CE1-CD1 4.19Å; F200-F214 HydrophobicContact CE1-CE1 4.2Å; F200-F214 HydrophobicContact CG-CD1 4.42Å; F200-N217 HydrophobicContact CD2-CB 3.54Å; F200-N217 HydrophobicContact CE2-CB 3.68Å; F200-N217 HydrophobicContact CG-CB 4.03Å; F200-N217 HydrophobicContact CZ-CB 4.27Å; F200-A218 HydrophobicContact CB-CB 3.74Å; F200-Q221 HydrophobicContact CD2-CG 4.32Å; F200-Q221 HydrophobicContact CE2-CG 4.3Å |
| 201 | A | 97.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 79.3 Ų | 79.3 | 20% | 0.198 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G197 D198 S204 L205 A218 | G197-A201 WeakPolarHBondContact O-CB 3.44Å; G197-A201 PolarHBondContact O-N 3.08Å; D198-A201 PolarHBondContact O-N 3.37Å; A201-S204 WeakPolarHBondContact O-CB 3.45Å; A201-S204 PolarHBondContact O-N 3.44Å; A201-L205 WeakPolarHBondContact O-CG 3.47Å; A201-L205 PolarHBondContact O-N 3.39Å; A201-A218 HydrophobicContact CB-CB 3.99Å |
| 202 | D | 97.8 | Very high | 94.9 | Very high | 73 Ų | 73 | 80.7 Ų | 80.7 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.5 | 180 | 67.3 | 0 | 0 | 0 | 112.2 | D198 A199 F200 L205 K206 | D198-D202 PolarHBondContact O-N 3.44Å; A199-D202 PolarHBondContact O-N 3.17Å; F200-D202 VanDerWaalsContact C-N 3.31Å; F200-D202 PolarHBondContact O-N 3.38Å; D202-L205 PolarHBondContact O-N 3.03Å; D202-K206 WeakPolarHBondContact O-CG 3.48Å; D202-K206 PolarHBondContact O-N 3.32Å; D202-K206 WeakPolarHBondContact OD1-CE 3.37Å; D202-K206 IonicContact OD1-NZ 2.74Å; D202-K206 PolarHBondContact OD1-NZ 3.4Å; D202-K206 WeakPolarHBondContact OD2-CE 3.43Å; D202-K206 IonicContact OD2-NZ 3.01Å; D202-K206 PolarHBondContact OD2-NZ 3.18Å |
| 203 | L | 97.2 | Very high | 94.4 | Very high | 72 Ų | 72 | 81.6 Ų | 81.6 | 38% | 0.377 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.2 | -37 | 176.5 | -71.3 | 173.2 | 0 | 0 | 0 | 112.7 | A199 F200 L205 K206 S207 F214 | A199-L203 WeakPolarHBondContact O-CG 3.42Å; A199-L203 PolarHBondContact O-N 3.22Å; F200-L203 PolarHBondContact O-N 2.66Å; L203-L205 VanDerWaalsContact C-N 3.25Å; L203-L205 PolarHBondContact O-N 2.91Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-K206 VanDerWaalsContact O-N 3.07Å; L203-S207 WeakPolarHBondContact O-CB 3.4Å; L203-S207 PolarHBondContact O-N 2.95Å; L203-F214 HydrophobicContact CB-CB 4.49Å; L203-F214 HydrophobicContact CB-CD1 3.93Å; L203-F214 HydrophobicContact CB-CD2 3.85Å; L203-F214 HydrophobicContact CB-CE1 4.04Å; L203-F214 HydrophobicContact CB-CE2 3.97Å; L203-F214 HydrophobicContact CB-CG 3.84Å; L203-F214 HydrophobicContact CB-CZ 4.07Å; L203-F214 HydrophobicContact CD1-CD1 4.18Å; L203-F214 HydrophobicContact CD1-CE1 3.61Å; L203-F214 HydrophobicContact CD1-CZ 3.82Å; L203-F214 HydrophobicContact CG-CE1 4.48Å; L203-F214 HydrophobicContact CG-CZ 4.5Å |
| 204 | S | 95.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 82.6 Ų | 82.6 | 6% | 0.063 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | F200 A201 K206 H211 | F200-S204 WeakPolarHBondContact O-CB 3.5Å; F200-S204 PolarHBondContact O-N 3.31Å; A201-S204 WeakPolarHBondContact O-CB 3.45Å; A201-S204 PolarHBondContact O-N 3.44Å; S204-K206 VanDerWaalsContact C-N 3.3Å; S204-K206 PolarHBondContact O-N 3.33Å; S204-H211 PolarHBondContact O-ND1 2.87Å; S204-H211 PolarHBondContact OG-CE1 3.44Å; S204-H211 VanDerWaalsContact OG-CE1 3.24Å; S204-H211 PolarHBondContact OG-ND1 3.49Å; S204-H211 PolarHBondContact OG-O 3.37Å |
| 205 | L | 94.8 | Very high | 93.9 | Very high | 142 Ų | 142 | 78.6 Ų | 78.6 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.1 | -22 | 178.8 | -64.5 | 174.2 | 0 | 0 | 0 | 113.6 | A201 D202 L203 | A201-L205 WeakPolarHBondContact O-CG 3.47Å; A201-L205 PolarHBondContact O-N 3.39Å; D202-L205 PolarHBondContact O-N 3.03Å; L203-L205 VanDerWaalsContact C-N 3.25Å; L203-L205 PolarHBondContact O-N 2.91Å |
| 206 | K | 94.3 | Very high | 93.5 | Very high | 145 Ų | 145 | 78.5 Ų | 78.5 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -99.9 | -24.9 | -174 | -69.3 | 173 | -176.6 | 168.9 | 0 | 113.6 | D202 L203 S204 | D202-K206 WeakPolarHBondContact O-CG 3.48Å; D202-K206 PolarHBondContact O-N 3.32Å; D202-K206 WeakPolarHBondContact OD1-CE 3.37Å; D202-K206 IonicContact OD1-NZ 2.74Å; D202-K206 PolarHBondContact OD1-NZ 3.4Å; D202-K206 WeakPolarHBondContact OD2-CE 3.43Å; D202-K206 IonicContact OD2-NZ 3.01Å; D202-K206 PolarHBondContact OD2-NZ 3.18Å; L203-K206 PolarHBondContact O-N 2.88Å; L203-K206 VanDerWaalsContact O-N 3.07Å; S204-K206 VanDerWaalsContact C-N 3.3Å; S204-K206 PolarHBondContact O-N 3.33Å |
| 207 | S | 88.1 | Confident | 93.1 | Very high | 36 Ų | 36 | 78.4 Ų | 78.4 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | trans | -110.4 | 99.4 | -177.6 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | L203 E209 L210 H211 | L203-S207 WeakPolarHBondContact O-CB 3.4Å; L203-S207 PolarHBondContact O-N 2.95Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.31Å; S207-L210 CarbonylContact O-C 3.57Å; S207-L210 PolarHBondContact O-N 3.31Å; S207-H211 VanDerWaalsContact O-CA 3.28Å; S207-H211 WeakPolarHBondContact O-CA 3.48Å; S207-H211 WeakPolarHBondContact O-CB 3.3Å; S207-H211 PolarHBondContact O-N 3.42Å | ||
| 208 | L | 83.8 | Confident | 93 | Very high | 170 Ų | 170 | 78.5 Ų | 78.5 | 89% | 0.89 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -62.7 | -33.6 | 178.6 | -75.2 | 163.8 | 0 | 0 | 0 | 112.7 | ||
| 209 | E | 91.6 | Very high | 92.7 | Very high | 178 Ų | 178 | 79.3 Ų | 79.3 | 83% | 0.832 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -25.8 | -179.1 | -65.3 | 178.6 | -176.8 | 0 | 0 | 113.4 | S207 | S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.31Å |
| 210 | L | 90 | Very high | 92.4 | Very high | 79 Ų | 79 | 78.2 Ų | 78.2 | 41% | 0.414 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 19.1 | -177.4 | -62.7 | 174.8 | 0 | 0 | 0 | 112.5 | S207 E212 E213 F214 | S207-L210 CarbonylContact O-C 3.57Å; S207-L210 PolarHBondContact O-N 3.31Å; L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 2.92Å; L210-E213 VanDerWaalsContact CA-OE2 3.24Å; L210-E213 WeakPolarHBondContact CA-OE2 3.37Å; L210-E213 PolarHBondContact O-N 2.91Å; L210-F214 HydrophobicContact CB-CD2 3.7Å; L210-F214 HydrophobicContact CB-CE2 3.71Å; L210-F214 HydrophobicContact CD1-CE2 3.9Å; L210-F214 HydrophobicContact CD1-CZ 4.49Å; L210-F214 HydrophobicContact CG-CE2 4.48Å; L210-F214 VanDerWaalsContact O-CD2 3.28Å; L210-F214 WeakPolarHBondContact O-CD2 3.27Å; L210-F214 PolarHBondContact O-N 3.26Å; L210-F214 VanDerWaalsContact O-N 3.11Å |
| 211 | H | 90.6 | Very high | 92.3 | Very high | 88 Ų | 88 | 77.9 Ų | 77.9 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | -171.5 | 172 | 67.2 | 0 | 0 | 0 | 111.3 | S204 S207 G215 | S204-H211 PolarHBondContact O-ND1 2.87Å; S204-H211 PolarHBondContact OG-CE1 3.44Å; S204-H211 VanDerWaalsContact OG-CE1 3.24Å; S204-H211 PolarHBondContact OG-ND1 3.49Å; S204-H211 PolarHBondContact OG-O 3.37Å; S207-H211 VanDerWaalsContact O-CA 3.28Å; S207-H211 WeakPolarHBondContact O-CA 3.48Å; S207-H211 WeakPolarHBondContact O-CB 3.3Å; S207-H211 PolarHBondContact O-N 3.42Å; H211-G215 PolarHBondContact O-N 3.5Å |
| 212 | E | 88.1 | Confident | 92.2 | Very high | 119 Ų | 119 | 80.8 Ų | 80.8 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.4 | -44.7 | -175.7 | -63.9 | -166 | 173.8 | 0 | 0 | 111.6 | L210 F214 G215 Y216 | L210-E212 VanDerWaalsContact C-N 3.3Å; L210-E212 PolarHBondContact O-N 2.92Å; E212-F214 PolarHBondContact O-N 3.43Å; E212-G215 WeakPolarHBondContact O-CA 3.47Å; E212-G215 PolarHBondContact O-N 2.91Å; E212-G215 VanDerWaalsContact O-N 3.11Å; E212-Y216 HydrophobicContact CB-CD2 4.28Å; E212-Y216 HydrophobicContact CB-CE2 3.78Å; E212-Y216 WeakPolarHBondContact O-CD2 3.49Å; E212-Y216 PolarHBondContact O-N 3.25Å |
| 213 | E | 89.1 | Confident | 91.9 | Very high | 99 Ų | 99 | 80.3 Ų | 80.3 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | -179.1 | -65.6 | 84.2 | 167.6 | 0 | 0 | 111.4 | L210 G215 N217 | L210-E213 VanDerWaalsContact CA-OE2 3.24Å; L210-E213 WeakPolarHBondContact CA-OE2 3.37Å; L210-E213 PolarHBondContact O-N 2.91Å; E213-G215 VanDerWaalsContact C-N 3.35Å; E213-N217 PolarHBondContact O-N 3.49Å; E213-N217 PolarHBondContact O-ND2 3.39Å |
| 214 | F | 93.2 | Very high | 91.8 | Very high | 45 Ų | 45 | 78.7 Ų | 78.7 | 20% | 0.197 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 174.3 | -77.7 | -55.1 | 0 | 0 | 0 | 111.5 | F200 L203 L210 E212 N217 A218 | F200-F214 AromaticContact CD1-CD1 3.58Å; F200-F214 HydrophobicContact CD1-CD1 3.58Å; F200-F214 AromaticContact CD1-CE1 3.94Å; F200-F214 HydrophobicContact CD1-CE1 3.94Å; F200-F214 HydrophobicContact CE1-CD1 4.19Å; F200-F214 HydrophobicContact CE1-CE1 4.2Å; F200-F214 HydrophobicContact CG-CD1 4.42Å; L203-F214 HydrophobicContact CB-CB 4.49Å; L203-F214 HydrophobicContact CB-CD1 3.93Å; L203-F214 HydrophobicContact CB-CD2 3.85Å; L203-F214 HydrophobicContact CB-CE1 4.04Å; L203-F214 HydrophobicContact CB-CE2 3.97Å; L203-F214 HydrophobicContact CB-CG 3.84Å; L203-F214 HydrophobicContact CB-CZ 4.07Å; L203-F214 HydrophobicContact CD1-CD1 4.18Å; L203-F214 HydrophobicContact CD1-CE1 3.61Å; L203-F214 HydrophobicContact CD1-CZ 3.82Å; L203-F214 HydrophobicContact CG-CE1 4.48Å; L203-F214 HydrophobicContact CG-CZ 4.5Å; L210-F214 HydrophobicContact CB-CD2 3.7Å; L210-F214 HydrophobicContact CB-CE2 3.71Å; L210-F214 HydrophobicContact CD1-CE2 3.9Å; L210-F214 HydrophobicContact CD1-CZ 4.49Å; L210-F214 HydrophobicContact CG-CE2 4.48Å; L210-F214 VanDerWaalsContact O-CD2 3.28Å; L210-F214 WeakPolarHBondContact O-CD2 3.27Å; L210-F214 PolarHBondContact O-N 3.26Å; L210-F214 VanDerWaalsContact O-N 3.11Å; E212-F214 PolarHBondContact O-N 3.43Å; F214-N217 PolarHBondContact O-N 2.92Å; F214-A218 WeakPolarHBondContact O-CB 3.26Å; F214-A218 PolarHBondContact O-N 3.22Å |
| 215 | G | 91.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 78.4 Ų | 78.4 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.2 | -51.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H211 E212 E213 N217 A218 D219 | H211-G215 PolarHBondContact O-N 3.5Å; E212-G215 WeakPolarHBondContact O-CA 3.47Å; E212-G215 PolarHBondContact O-N 2.91Å; E212-G215 VanDerWaalsContact O-N 3.11Å; E213-G215 VanDerWaalsContact C-N 3.35Å; G215-N217 VanDerWaalsContact C-N 3.31Å; G215-N217 PolarHBondContact O-N 2.91Å; G215-A218 WeakPolarHBondContact O-CB 3.39Å; G215-A218 PolarHBondContact O-N 3.44Å; G215-A218 VanDerWaalsContact O-N 3.14Å; G215-D219 PolarHBondContact O-N 3.41Å |
| 216 | Y | 89.4 | Confident | 91.9 | Very high | 109 Ų | 109 | 78.2 Ų | 78.2 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 179 | -67.8 | -55.1 | 0 | 0 | 0 | 112.5 | E212 T220 | E212-Y216 HydrophobicContact CB-CD2 4.28Å; E212-Y216 HydrophobicContact CB-CE2 3.78Å; E212-Y216 WeakPolarHBondContact O-CD2 3.49Å; E212-Y216 PolarHBondContact O-N 3.25Å; Y216-T220 WeakPolarHBondContact O-CB 3.32Å; Y216-T220 PolarHBondContact O-N 3.24Å; Y216-T220 PolarHBondContact O-OG1 2.99Å |
| 217 | N | 91.1 | Very high | 91.9 | Very high | 64 Ų | 64 | 73.3 Ų | 73.3 | 34% | 0.342 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 176.8 | -81.3 | -82.5 | 0 | 0 | 0 | 111.9 | F200 E213 F214 G215 T220 Q221 | F200-N217 HydrophobicContact CD2-CB 3.54Å; F200-N217 HydrophobicContact CE2-CB 3.68Å; F200-N217 HydrophobicContact CG-CB 4.03Å; F200-N217 HydrophobicContact CZ-CB 4.27Å; E213-N217 PolarHBondContact O-N 3.49Å; E213-N217 PolarHBondContact O-ND2 3.39Å; F214-N217 PolarHBondContact O-N 2.92Å; G215-N217 VanDerWaalsContact C-N 3.31Å; G215-N217 PolarHBondContact O-N 2.91Å; N217-T220 PolarHBondContact O-N 2.93Å; N217-Q221 WeakPolarHBondContact O-CG 3.49Å; N217-Q221 PolarHBondContact O-N 3.45Å |
| 218 | A | 94.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 71.6 Ų | 71.6 | 2% | 0.017 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G197 F200 A201 F214 G215 Q221 K222 | G197-A218 WeakPolarHBondContact O-CB 3.25Å; F200-A218 HydrophobicContact CB-CB 3.74Å; A201-A218 HydrophobicContact CB-CB 3.99Å; F214-A218 WeakPolarHBondContact O-CB 3.26Å; F214-A218 PolarHBondContact O-N 3.22Å; G215-A218 WeakPolarHBondContact O-CB 3.39Å; G215-A218 PolarHBondContact O-N 3.44Å; G215-A218 VanDerWaalsContact O-N 3.14Å; A218-Q221 PolarHBondContact O-N 3.41Å; A218-K222 WeakPolarHBondContact O-CB 3.35Å; A218-K222 WeakPolarHBondContact O-CG 3.16Å; A218-K222 PolarHBondContact O-N 3.23Å |
| 219 | D | 92 | Very high | 93 | Very high | 103 Ų | 103 | 67.6 Ų | 67.6 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | -179.5 | -72.3 | -17.4 | 0 | 0 | 0 | 111.8 | G215 Q221 K222 L223 | G215-D219 PolarHBondContact O-N 3.41Å; D219-Q221 PolarHBondContact O-N 3.28Å; D219-K222 PolarHBondContact O-N 2.62Å; D219-L223 WeakPolarHBondContact O-CB 3.47Å; D219-L223 PolarHBondContact O-N 2.85Å |
| 220 | T | 92.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.2 | Y216 N217 L223 L224 | Y216-T220 WeakPolarHBondContact O-CB 3.32Å; Y216-T220 PolarHBondContact O-N 3.24Å; Y216-T220 PolarHBondContact O-OG1 2.99Å; N217-T220 PolarHBondContact O-N 2.93Å; T220-L223 PolarHBondContact O-N 3.07Å; T220-L224 HydrophobicContact CG2-CD1 4.13Å; T220-L224 WeakPolarHBondContact O-CG 3.48Å; T220-L224 PolarHBondContact O-N 3.41Å |
| 221 | Q | 95.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 61 Ų | 61 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | -179.2 | -66.8 | -61.7 | -6.9 | 0 | 0 | 112.5 | Q193 L196 F200 N217 A218 D219 L224 A225 | Q193-Q221 WeakPolarHBondContact O-CB 3.38Å; L196-Q221 HydrophobicContact CB-CG 4.47Å; L196-Q221 HydrophobicContact CD2-CG 4.06Å; L196-Q221 HydrophobicContact CG-CG 4.19Å; F200-Q221 HydrophobicContact CD2-CG 4.32Å; F200-Q221 HydrophobicContact CE2-CG 4.3Å; N217-Q221 WeakPolarHBondContact O-CG 3.49Å; N217-Q221 PolarHBondContact O-N 3.45Å; A218-Q221 PolarHBondContact O-N 3.41Å; D219-Q221 PolarHBondContact O-N 3.28Å; Q221-L224 PolarHBondContact O-N 3.49Å; Q221-A225 WeakPolarHBondContact O-CB 3.42Å; Q221-A225 PolarHBondContact O-N 2.68Å |
| 222 | K | 94.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 57.9 Ų | 57.9 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.6 | -73.5 | 174.7 | -178.2 | 176.8 | 0 | 112.1 | A218 D219 K226 | A218-K222 WeakPolarHBondContact O-CB 3.35Å; A218-K222 WeakPolarHBondContact O-CG 3.16Å; A218-K222 PolarHBondContact O-N 3.23Å; D219-K222 PolarHBondContact O-N 2.62Å; K222-K226 WeakPolarHBondContact O-CB 3.28Å; K222-K226 PolarHBondContact O-N 2.87Å |
| 223 | L | 92.8 | Very high | 94.4 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 175.7 | 178.4 | 63.9 | 0 | 0 | 0 | 111.7 | D219 T220 A225 K226 N227 Q347 | D219-L223 WeakPolarHBondContact O-CB 3.47Å; D219-L223 PolarHBondContact O-N 2.85Å; T220-L223 PolarHBondContact O-N 3.07Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 2.97Å; L223-K226 PolarHBondContact O-N 2.94Å; L223-N227 PolarHBondContact O-N 3.44Å; L223-Q347 HydrophobicContact CD2-CB 4.16Å; L223-Q347 HydrophobicContact CD2-CG 4.15Å |
| 224 | L | 94.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 177.8 | -72.3 | 175.1 | 0 | 0 | 0 | 111.6 | T220 Q221 G228 N344 | T220-L224 HydrophobicContact CG2-CD1 4.13Å; T220-L224 WeakPolarHBondContact O-CG 3.48Å; T220-L224 PolarHBondContact O-N 3.41Å; Q221-L224 PolarHBondContact O-N 3.49Å; L224-G228 PolarHBondContact O-N 3.07Å; L224-N344 HydrophobicContact CD2-CB 3.97Å; L224-N344 VanDerWaalsContact CD2-CG 3.49Å |
| 225 | A | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V190 Q193 Q221 L223 N227 G228 E229 | V190-A225 HydrophobicContact CG1-CB 4.21Å; Q193-A225 HydrophobicContact CB-CB 4.03Å; Q221-A225 WeakPolarHBondContact O-CB 3.42Å; Q221-A225 PolarHBondContact O-N 2.68Å; L223-A225 VanDerWaalsContact C-N 3.3Å; L223-A225 PolarHBondContact O-N 2.97Å; A225-N227 PolarHBondContact O-N 3.47Å; A225-G228 WeakPolarHBondContact O-CA 3.21Å; A225-G228 PolarHBondContact O-N 3.41Å; A225-G228 VanDerWaalsContact O-N 3.14Å; A225-E229 WeakPolarHBondContact O-CG 3.41Å; A225-E229 PolarHBondContact O-N 3.49Å |
| 226 | K | 95.4 | Very high | 95.4 | Very high | 138 Ų | 138 | 51.7 Ų | 51.7 | 60% | 0.6 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.2 | -46.7 | 178.5 | -177.6 | -176.5 | 177.5 | -177.2 | 0 | 112.5 | K222 L223 G228 E229 T230 | K222-K226 WeakPolarHBondContact O-CB 3.28Å; K222-K226 PolarHBondContact O-N 2.87Å; L223-K226 PolarHBondContact O-N 2.94Å; K226-G228 VanDerWaalsContact C-N 3.26Å; K226-G228 PolarHBondContact O-N 3.29Å; K226-E229 PolarHBondContact O-N 3.47Å; K226-T230 PolarHBondContact O-N 3.2Å |
| 227 | N | 95.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -34 | 176.7 | -73 | -6.2 | 0 | 0 | 0 | 110.9 | L223 A225 T230 L231 Y340 N344 | L223-N227 PolarHBondContact O-N 3.44Å; A225-N227 PolarHBondContact O-N 3.47Å; N227-T230 WeakPolarHBondContact O-CB 3.33Å; N227-T230 PolarHBondContact O-N 2.64Å; N227-L231 PolarHBondContact O-N 3.48Å; N227-L231 VanDerWaalsContact O-N 3.07Å; N227-Y340 HydrophobicContact CB-CD2 3.97Å; N227-Y340 HydrophobicContact CB-CE2 3.96Å; N227-N344 PolarHBondContact ND2-OD1 3.29Å |
| 228 | G | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L224 A225 K226 T230 L231 L232 | L224-G228 PolarHBondContact O-N 3.07Å; A225-G228 WeakPolarHBondContact O-CA 3.21Å; A225-G228 PolarHBondContact O-N 3.41Å; A225-G228 VanDerWaalsContact O-N 3.14Å; K226-G228 VanDerWaalsContact C-N 3.26Å; K226-G228 PolarHBondContact O-N 3.29Å; G228-T230 VanDerWaalsContact C-N 3.31Å; G228-T230 PolarHBondContact O-N 2.96Å; G228-L231 PolarHBondContact O-N 3.47Å; G228-L232 WeakPolarHBondContact O-CB 3.41Å; G228-L232 PolarHBondContact O-N 3.01Å |
| 229 | E | 96.7 | Very high | 96.3 | Very high | 86 Ų | 86 | 49.9 Ų | 49.9 | 40% | 0.402 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 172.9 | -70.5 | -177.7 | 150.4 | 0 | 0 | 112.1 | V190 R194 A225 K226 L232 G233 | V190-E229 HydrophobicContact CG1-CG 3.83Å; R194-E229 IonicContact CZ-OE1 2.83Å; R194-E229 IonicContact NH1-OE1 2.66Å; R194-E229 PolarHBondContact NH1-OE1 3.32Å; R194-E229 VanDerWaalsContact NH2-CD 3.28Å; R194-E229 IonicContact NH2-OE1 3.2Å; R194-E229 PolarHBondContact NH2-OE1 2.87Å; R194-E229 IonicContact NH2-OE2 3.51Å; R194-E229 PolarHBondContact NH2-OE2 3.25Å; A225-E229 WeakPolarHBondContact O-CG 3.41Å; A225-E229 PolarHBondContact O-N 3.49Å; K226-E229 PolarHBondContact O-N 3.47Å; E229-L232 WeakPolarHBondContact O-CB 3.29Å; E229-L232 PolarHBondContact O-N 2.99Å; E229-G233 PolarHBondContact O-N 3.43Å; E229-G233 VanDerWaalsContact O-N 3.08Å |
| 230 | T | 96.2 | Very high | 96.6 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 66% | 0.656 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.1 | -45.5 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | K226 N227 G228 L232 G233 A234 | K226-T230 PolarHBondContact O-N 3.2Å; N227-T230 WeakPolarHBondContact O-CB 3.33Å; N227-T230 PolarHBondContact O-N 2.64Å; G228-T230 VanDerWaalsContact C-N 3.31Å; G228-T230 PolarHBondContact O-N 2.96Å; T230-L232 VanDerWaalsContact C-N 3.32Å; T230-L232 PolarHBondContact O-N 3.27Å; T230-G233 PolarHBondContact O-N 3.17Å; T230-A234 PolarHBondContact O-N 3.34Å |
| 231 | L | 97.9 | Very high | 96.9 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.5 | 177.2 | 60.9 | 0 | 0 | 0 | 111.6 | L186 N227 G228 G233 A234 I235 A336 I337 Y340 | L186-L231 HydrophobicContact CD2-CB 4.17Å; L186-L231 HydrophobicContact CD2-CD2 3.71Å; L186-L231 HydrophobicContact CD2-CG 3.73Å; N227-L231 PolarHBondContact O-N 3.48Å; N227-L231 VanDerWaalsContact O-N 3.07Å; G228-L231 PolarHBondContact O-N 3.47Å; L231-G233 VanDerWaalsContact C-N 3.27Å; L231-G233 PolarHBondContact O-N 2.9Å; L231-A234 WeakPolarHBondContact O-CB 3.46Å; L231-A234 PolarHBondContact O-N 3.08Å; L231-A234 VanDerWaalsContact O-N 3.09Å; L231-I235 HydrophobicContact CD1-CD1 4.13Å; L231-I235 HydrophobicContact CD1-CG1 4.09Å; L231-I235 HydrophobicContact CD2-CD1 4.35Å; L231-I235 HydrophobicContact CG-CD1 3.91Å; L231-I235 HydrophobicContact CG-CG1 4.28Å; L231-I235 WeakPolarHBondContact O-CG1 3.47Å; L231-I235 PolarHBondContact O-N 3.39Å; L231-A336 HydrophobicContact CD1-CB 4.07Å; L231-I337 HydrophobicContact CD1-CD1 3.78Å; L231-I337 HydrophobicContact CD1-CG1 4.26Å; L231-I337 HydrophobicContact CD2-CD1 4.13Å; L231-I337 HydrophobicContact CG-CD1 4.49Å; L231-Y340 HydrophobicContact CB-CD2 3.98Å; L231-Y340 HydrophobicContact CB-CG 4.2Å; L231-Y340 HydrophobicContact CD2-CD1 3.71Å; L231-Y340 HydrophobicContact CD2-CD2 4.04Å; L231-Y340 HydrophobicContact CD2-CE1 4.21Å; L231-Y340 HydrophobicContact CD2-CG 3.6Å; L231-Y340 HydrophobicContact CG-CG 4.41Å |
| 232 | L | 98.3 | Very high | 97 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 177.6 | -170 | 72.1 | 0 | 0 | 0 | 111.4 | S183 L186 F187 G228 E229 T230 I235 N236 | S183-L232 VanDerWaalsContact O-CD1 3.26Å; S183-L232 WeakPolarHBondContact O-CD1 3.34Å; S183-L232 WeakPolarHBondContact OG-CD1 3.42Å; L186-L232 HydrophobicContact CB-CD1 4.28Å; L186-L232 HydrophobicContact CD2-CB 4.24Å; L186-L232 HydrophobicContact CD2-CD1 4.17Å; L186-L232 HydrophobicContact CG-CD1 4.27Å; F187-L232 HydrophobicContact CB-CD1 4.07Å; F187-L232 HydrophobicContact CB-CD2 4.06Å; F187-L232 HydrophobicContact CD2-CD2 3.77Å; F187-L232 HydrophobicContact CG-CD2 4.42Å; G228-L232 WeakPolarHBondContact O-CB 3.41Å; G228-L232 PolarHBondContact O-N 3.01Å; E229-L232 WeakPolarHBondContact O-CB 3.29Å; E229-L232 PolarHBondContact O-N 2.99Å; T230-L232 VanDerWaalsContact C-N 3.32Å; T230-L232 PolarHBondContact O-N 3.27Å; L232-I235 PolarHBondContact O-N 3.01Å; L232-N236 WeakPolarHBondContact O-CB 3.25Å; L232-N236 PolarHBondContact O-N 3.05Å; L232-N236 PolarHBondContact O-ND2 3.3Å |
| 233 | G | 97.8 | Very high | 97.2 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 45% | 0.454 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.5 | -46.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E229 T230 L231 N236 F237 | E229-G233 PolarHBondContact O-N 3.43Å; E229-G233 VanDerWaalsContact O-N 3.08Å; T230-G233 PolarHBondContact O-N 3.17Å; L231-G233 VanDerWaalsContact C-N 3.27Å; L231-G233 PolarHBondContact O-N 2.9Å; G233-N236 PolarHBondContact O-N 3.13Å; G233-F237 PolarHBondContact O-N 3.21Å |
| 234 | A | 97.9 | Very high | 97.4 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | T230 L231 F237 F238 A336 | T230-A234 PolarHBondContact O-N 3.34Å; L231-A234 WeakPolarHBondContact O-CB 3.46Å; L231-A234 PolarHBondContact O-N 3.08Å; L231-A234 VanDerWaalsContact O-N 3.09Å; A234-F237 PolarHBondContact O-N 3.49Å; A234-F238 PolarHBondContact O-N 2.9Å; A234-A336 HydrophobicContact CB-CB 3.46Å; A234-A336 VanDerWaalsContact CB-CB 3.46Å |
| 235 | I | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.8 | -64.8 | 177.2 | 0 | 0 | 0 | 110.6 | L182 L186 L231 L232 F237 F238 I239 F333 I337 | L182-I235 HydrophobicContact CD2-CD1 4.02Å; L182-I235 HydrophobicContact CG-CD1 4.17Å; L186-I235 HydrophobicContact CD2-CD1 3.75Å; L231-I235 HydrophobicContact CD1-CD1 4.13Å; L231-I235 HydrophobicContact CD1-CG1 4.09Å; L231-I235 HydrophobicContact CD2-CD1 4.35Å; L231-I235 HydrophobicContact CG-CD1 3.91Å; L231-I235 HydrophobicContact CG-CG1 4.28Å; L231-I235 WeakPolarHBondContact O-CG1 3.47Å; L231-I235 PolarHBondContact O-N 3.39Å; L232-I235 PolarHBondContact O-N 3.01Å; I235-F237 VanDerWaalsContact C-N 3.33Å; I235-F237 PolarHBondContact O-N 2.93Å; I235-F238 WeakPolarHBondContact O-CB 3.11Å; I235-F238 PolarHBondContact O-N 3.32Å; I235-I239 HydrophobicContact CG2-CD1 3.88Å; I235-I239 HydrophobicContact CG2-CG1 4.41Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.49Å; I235-I239 PolarHBondContact O-N 3.31Å; I235-F333 HydrophobicContact CG1-CE2 3.94Å; I235-F333 HydrophobicContact CG2-CE2 4.39Å; I235-I337 HydrophobicContact CD1-CD1 4.37Å |
| 236 | N | 98.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -36 | 177.3 | -75.7 | -33.3 | 0 | 0 | 0 | 112.5 | S183 L232 G233 I239 A240 | S183-N236 PolarHBondContact OG-OD1 3.37Å; L232-N236 WeakPolarHBondContact O-CB 3.25Å; L232-N236 PolarHBondContact O-N 3.05Å; L232-N236 PolarHBondContact O-ND2 3.3Å; G233-N236 PolarHBondContact O-N 3.13Å; N236-I239 PolarHBondContact O-N 2.7Å; N236-A240 WeakPolarHBondContact O-CB 3.35Å; N236-A240 PolarHBondContact O-N 2.73Å |
| 237 | F | 97.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 39.2 Ų | 39.2 | 48% | 0.478 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 172.5 | -179.3 | -99.4 | 0 | 0 | 0 | 112.3 | G233 A234 I235 A240 S241 L332 | G233-F237 PolarHBondContact O-N 3.21Å; A234-F237 PolarHBondContact O-N 3.49Å; I235-F237 VanDerWaalsContact C-N 3.33Å; I235-F237 PolarHBondContact O-N 2.93Å; F237-A240 PolarHBondContact O-N 3.21Å; F237-S241 WeakPolarHBondContact O-CB 3.42Å; F237-S241 PolarHBondContact O-N 3.46Å; F237-S241 VanDerWaalsContact O-N 3.07Å; F237-S241 PolarHBondContact O-OG 2.96Å; F237-L332 HydrophobicContact CE1-CD1 4.08Å |
| 238 | F | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -48.8 | 173.2 | 173.7 | -95.8 | 0 | 0 | 0 | 111.6 | I175 A179 A234 I235 A240 S241 V242 Q329 L330 F333 | I175-F238 HydrophobicContact CG2-CE1 4.24Å; I175-F238 HydrophobicContact CG2-CZ 4.15Å; A179-F238 HydrophobicContact CB-CD1 4.07Å; A179-F238 HydrophobicContact CB-CE1 3.96Å; A234-F238 PolarHBondContact O-N 2.9Å; I235-F238 WeakPolarHBondContact O-CB 3.11Å; I235-F238 PolarHBondContact O-N 3.32Å; F238-A240 PolarHBondContact O-N 3.38Å; F238-S241 PolarHBondContact O-N 2.78Å; F238-V242 HydrophobicContact CD1-CG2 4.33Å; F238-V242 HydrophobicContact CD2-CG2 4.13Å; F238-V242 HydrophobicContact CE1-CG2 3.94Å; F238-V242 HydrophobicContact CE2-CG2 3.72Å; F238-V242 HydrophobicContact CG-CG2 4.42Å; F238-V242 HydrophobicContact CZ-CG2 3.62Å; F238-V242 WeakPolarHBondContact O-CG2 3.39Å; F238-V242 PolarHBondContact O-N 2.87Å; F238-Q329 HydrophobicContact CD2-CB 3.85Å; F238-Q329 WeakPolarHBondContact CD2-O 3.24Å; F238-Q329 HydrophobicContact CE2-CB 4.03Å; F238-L330 HydrophobicContact CE2-CD2 4.29Å; F238-F333 HydrophobicContact CB-CD2 3.93Å; F238-F333 AromaticContact CD1-CD2 3.84Å; F238-F333 HydrophobicContact CD1-CD2 3.84Å; F238-F333 HydrophobicContact CD1-CE2 4.19Å; F238-F333 HydrophobicContact CD2-CB 3.76Å; F238-F333 HydrophobicContact CD2-CD2 4.09Å; F238-F333 HydrophobicContact CD2-CG 4.17Å; F238-F333 HydrophobicContact CE1-CD2 4.37Å; F238-F333 HydrophobicContact CE2-CB 4.15Å; F238-F333 HydrophobicContact CE2-CG 4.44Å; F238-F333 HydrophobicContact CG-CB 4.19Å; F238-F333 AromaticContact CG-CD2 3.68Å; F238-F333 HydrophobicContact CG-CD2 3.68Å; F238-F333 HydrophobicContact CG-CE2 4.47Å; F238-F333 HydrophobicContact CG-CG 4.23Å |
| 239 | I | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.5 | -49.3 | 177.3 | -71.1 | 164.7 | 0 | 0 | 0 | 110.8 | L176 A179 Q180 I235 N236 S241 V242 N243 | L176-I239 HydrophobicContact CD1-CB 4.3Å; L176-I239 HydrophobicContact CD1-CG2 3.79Å; L176-I239 WeakPolarHBondContact CD1-O 3.47Å; A179-I239 HydrophobicContact CB-CD1 4.38Å; A179-I239 HydrophobicContact CB-CG1 3.8Å; Q180-I239 HydrophobicContact CG-CD1 4.1Å; Q180-I239 HydrophobicContact CG-CG1 4.32Å; Q180-I239 HydrophobicContact CG-CG2 3.85Å; I235-I239 HydrophobicContact CG2-CD1 3.88Å; I235-I239 HydrophobicContact CG2-CG1 4.41Å; I235-I239 VanDerWaalsContact O-CG1 3.3Å; I235-I239 WeakPolarHBondContact O-CG1 3.49Å; I235-I239 PolarHBondContact O-N 3.31Å; N236-I239 PolarHBondContact O-N 2.7Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.43Å; I239-V242 PolarHBondContact O-N 3.39Å; I239-N243 WeakPolarHBondContact O-CB 3.48Å; I239-N243 PolarHBondContact O-N 3.09Å |
| 240 | A | 98.4 | Very high | 98 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -39.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N236 F237 F238 T244 | N236-A240 WeakPolarHBondContact O-CB 3.35Å; N236-A240 PolarHBondContact O-N 2.73Å; F237-A240 PolarHBondContact O-N 3.21Å; F238-A240 PolarHBondContact O-N 3.38Å; A240-T244 PolarHBondContact O-N 2.9Å; A240-T244 PolarHBondContact O-OG1 3.08Å |
| 241 | S | 97.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 17% | 0.168 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.1 | -47.6 | 179.7 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | F237 F238 I239 T244 L245 Q329 | F237-S241 WeakPolarHBondContact O-CB 3.42Å; F237-S241 PolarHBondContact O-N 3.46Å; F237-S241 VanDerWaalsContact O-N 3.07Å; F237-S241 PolarHBondContact O-OG 2.96Å; F238-S241 PolarHBondContact O-N 2.78Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.43Å; S241-T244 PolarHBondContact O-N 2.93Å; S241-L245 PolarHBondContact O-N 3.34Å; S241-L245 VanDerWaalsContact O-N 3.09Å; S241-Q329 PolarHBondContact OG-NE2 3.49Å; S241-Q329 PolarHBondContact OG-OE1 3.01Å |
| 242 | V | 97.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 177 | 176.2 | 0 | 0 | 0 | 0 | 111 | L176 F238 I239 T244 L245 V246 | L176-V242 HydrophobicContact CB-CG1 4.31Å; L176-V242 HydrophobicContact CD1-CB 4.37Å; L176-V242 HydrophobicContact CD1-CG1 4.39Å; F238-V242 HydrophobicContact CD1-CG2 4.33Å; F238-V242 HydrophobicContact CD2-CG2 4.13Å; F238-V242 HydrophobicContact CE1-CG2 3.94Å; F238-V242 HydrophobicContact CE2-CG2 3.72Å; F238-V242 HydrophobicContact CG-CG2 4.42Å; F238-V242 HydrophobicContact CZ-CG2 3.62Å; F238-V242 WeakPolarHBondContact O-CG2 3.39Å; F238-V242 PolarHBondContact O-N 2.87Å; I239-V242 PolarHBondContact O-N 3.39Å; V242-T244 VanDerWaalsContact C-N 3.27Å; V242-T244 PolarHBondContact O-N 3.19Å; V242-L245 PolarHBondContact O-N 3.26Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CG2 3.26Å; V242-V246 PolarHBondContact O-N 3.49Å |
| 243 | N | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 42 Ų | 42 | 29% | 0.289 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58 | -40.2 | 174.2 | -179.9 | 72.6 | 0 | 0 | 0 | 112 | L176 I239 N247 | L176-N243 HydrophobicContact CD1-CB 4.11Å; L176-N243 HydrophobicContact CD2-CB 3.96Å; I239-N243 WeakPolarHBondContact O-CB 3.48Å; I239-N243 PolarHBondContact O-N 3.09Å; N243-N247 WeakPolarHBondContact O-CB 3.33Å; N243-N247 PolarHBondContact O-N 2.77Å; N243-N247 PolarHBondContact OD1-ND2 2.84Å |
| 244 | T | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 40.9 Ų | 40.9 | 36% | 0.356 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | A240 S241 V242 V246 K248 T249 | A240-T244 PolarHBondContact O-N 2.9Å; A240-T244 PolarHBondContact O-OG1 3.08Å; S241-T244 PolarHBondContact O-N 2.93Å; V242-T244 VanDerWaalsContact C-N 3.27Å; V242-T244 PolarHBondContact O-N 3.19Å; T244-V246 VanDerWaalsContact C-N 3.34Å; T244-V246 PolarHBondContact O-N 3.1Å; T244-K248 HydrophobicContact CG2-CD 4.24Å; T244-K248 WeakPolarHBondContact O-CA 3.32Å; T244-K248 VanDerWaalsContact O-CB 3.27Å; T244-K248 WeakPolarHBondContact O-CB 3.35Å; T244-K248 PolarHBondContact O-N 3.03Å; T244-K248 VanDerWaalsContact O-N 3.08Å; T244-T249 PolarHBondContact O-N 3.45Å; T244-T249 VanDerWaalsContact O-N 3.11Å; T244-T249 PolarHBondContact O-OG1 3.11Å |
| 245 | L | 97.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -58 | -46.9 | 176.4 | 176.6 | 63.3 | 0 | 0 | 0 | 111.6 | S241 V242 T249 I250 K322 V325 L326 | S241-L245 PolarHBondContact O-N 3.34Å; S241-L245 VanDerWaalsContact O-N 3.09Å; V242-L245 PolarHBondContact O-N 3.26Å; L245-T249 WeakPolarHBondContact O-CB 3.28Å; L245-T249 PolarHBondContact O-N 3.4Å; L245-I250 HydrophobicContact CG-CD1 4.34Å; L245-I250 WeakPolarHBondContact O-CG1 3.24Å; L245-I250 PolarHBondContact O-N 3.07Å; L245-K322 HydrophobicContact CD1-CB 4.33Å; L245-K322 HydrophobicContact CD2-CG 4.28Å; L245-V325 HydrophobicContact CB-CG1 4.39Å; L245-V325 HydrophobicContact CD2-CG1 4.23Å; L245-L326 HydrophobicContact CD2-CD1 4.23Å; L245-L326 HydrophobicContact CD2-CD2 3.75Å; L245-L326 HydrophobicContact CD2-CG 3.7Å |
| 246 | V | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -76 | -55.4 | -174.7 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | K169 Y172 E173 V242 T244 E251 | K169-V246 HydrophobicContact CG-CG1 4.17Å; Y172-V246 VanDerWaalsContact CB-CG2 3.48Å; Y172-V246 HydrophobicContact CD2-CG2 4.46Å; Y172-V246 HydrophobicContact CG-CG2 4.44Å; E173-V246 HydrophobicContact CG-CG1 3.51Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CG2 3.26Å; V242-V246 PolarHBondContact O-N 3.49Å; T244-V246 VanDerWaalsContact C-N 3.34Å; T244-V246 PolarHBondContact O-N 3.1Å; V246-E251 PolarHBondContact O-N 2.76Å |
| 247 | N | 97.9 | Very high | 98.1 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -90.7 | -5.1 | -169.1 | -67.9 | -37.2 | 0 | 0 | 0 | 113.8 | N243 | N243-N247 WeakPolarHBondContact O-CB 3.33Å; N243-N247 PolarHBondContact O-N 2.77Å; N243-N247 PolarHBondContact OD1-ND2 2.84Å |
| 248 | K | 97.8 | Very high | 98.2 | Very high | 136 Ų | 136 | 40.2 Ų | 40.2 | 59% | 0.591 | 21% | 0.213 | S | C | * | . | I | π-helix | trans | -120.6 | -60.7 | 173.4 | -55 | -177 | 179.5 | 173.1 | 0 | 111.5 | T244 D252 | T244-K248 HydrophobicContact CG2-CD 4.24Å; T244-K248 WeakPolarHBondContact O-CA 3.32Å; T244-K248 VanDerWaalsContact O-CB 3.27Å; T244-K248 WeakPolarHBondContact O-CB 3.35Å; T244-K248 PolarHBondContact O-N 3.03Å; T244-K248 VanDerWaalsContact O-N 3.08Å; K248-D252 WeakPolarHBondContact O-CB 3.45Å; K248-D252 PolarHBondContact O-N 3.49Å |
| 249 | T | 97.9 | Very high | 98.2 | Very high | 44 Ų | 44 | 44.9 Ų | 44.9 | 27% | 0.27 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -70 | -49.6 | -171.1 | -44.5 | 0 | 0 | 0 | 0 | 112.6 | T244 L245 T253 L318 | T244-T249 PolarHBondContact O-N 3.45Å; T244-T249 VanDerWaalsContact O-N 3.11Å; T244-T249 PolarHBondContact O-OG1 3.11Å; L245-T249 WeakPolarHBondContact O-CB 3.28Å; L245-T249 PolarHBondContact O-N 3.4Å; T249-T253 PolarHBondContact O-N 2.98Å; T249-T253 PolarHBondContact O-OG1 3.4Å; T249-L318 HydrophobicContact CG2-CD1 3.68Å |
| 250 | I | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -66.7 | -41.7 | 176.6 | -72.3 | 170.7 | 0 | 0 | 0 | 110.2 | L165 K169 Y172 L245 D252 T253 L254 L318 | L165-I250 HydrophobicContact CD1-CG1 4.3Å; L165-I250 HydrophobicContact CD1-CG2 3.9Å; L165-I250 HydrophobicContact CG-CG2 4.49Å; K169-I250 HydrophobicContact CB-CG2 4.03Å; K169-I250 HydrophobicContact CD-CG2 3.83Å; K169-I250 HydrophobicContact CG-CG2 3.99Å; Y172-I250 HydrophobicContact CD2-CD1 3.9Å; Y172-I250 HydrophobicContact CE2-CD1 4.27Å; L245-I250 HydrophobicContact CG-CD1 4.34Å; L245-I250 WeakPolarHBondContact O-CG1 3.24Å; L245-I250 PolarHBondContact O-N 3.07Å; I250-D252 PolarHBondContact O-N 3.38Å; I250-T253 WeakPolarHBondContact O-CB 3.49Å; I250-T253 PolarHBondContact O-N 3.33Å; I250-T253 VanDerWaalsContact O-N 3.15Å; I250-L254 HydrophobicContact CG2-CD1 4.1Å; I250-L254 HydrophobicContact CG2-CG 4.34Å; I250-L254 PolarHBondContact O-N 3.21Å; I250-L318 HydrophobicContact CG1-CD1 3.94Å; I250-L318 HydrophobicContact CG1-CD2 4.18Å |
| 251 | E | 97.9 | Very high | 98.2 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 179.6 | -166.5 | 60.1 | -146.7 | 0 | 0 | 112.4 | K169 V246 T253 L254 M255 K258 | K169-E251 VanDerWaalsContact CE-OE2 3.26Å; K169-E251 WeakPolarHBondContact CE-OE2 3.1Å; K169-E251 IonicContact NZ-OE2 3.7Å; V246-E251 PolarHBondContact O-N 2.76Å; E251-T253 VanDerWaalsContact C-N 3.27Å; E251-T253 PolarHBondContact O-N 3.27Å; E251-L254 CarbonylContact O-C 3.6Å; E251-L254 PolarHBondContact O-N 3.31Å; E251-L254 VanDerWaalsContact O-N 3.15Å; E251-M255 WeakPolarHBondContact O-CG 3.5Å; E251-M255 PolarHBondContact O-N 3.23Å; E251-K258 IonicContact OE1-NZ 3.32Å |
| 252 | D | 97.9 | Very high | 98.2 | Very high | 87 Ų | 87 | 46.2 Ų | 46.2 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.5 | -39.6 | 173.7 | 178 | 76.3 | 0 | 0 | 0 | 112.4 | K248 I250 M255 T256 K314 | K248-D252 WeakPolarHBondContact O-CB 3.45Å; K248-D252 PolarHBondContact O-N 3.49Å; I250-D252 PolarHBondContact O-N 3.38Å; D252-M255 PolarHBondContact O-N 3.28Å; D252-T256 PolarHBondContact O-N 3.44Å; D252-T256 PolarHBondContact O-OG1 3.42Å; D252-K314 IonicContact OD1-NZ 3.82Å; D252-K314 IonicContact OD2-NZ 3.91Å; D252-K314 PolarHBondContact OD2-NZ 3.32Å |
| 253 | T | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | L165 T249 I250 E251 M255 T256 V257 K314 L315 L318 | L165-T253 HydrophobicContact CD2-CG2 3.83Å; T249-T253 PolarHBondContact O-N 2.98Å; T249-T253 PolarHBondContact O-OG1 3.4Å; I250-T253 WeakPolarHBondContact O-CB 3.49Å; I250-T253 PolarHBondContact O-N 3.33Å; I250-T253 VanDerWaalsContact O-N 3.15Å; E251-T253 VanDerWaalsContact C-N 3.27Å; E251-T253 PolarHBondContact O-N 3.27Å; T253-M255 VanDerWaalsContact C-N 3.3Å; T253-M255 PolarHBondContact O-N 3.38Å; T253-T256 WeakPolarHBondContact O-CA 3.37Å; T253-T256 WeakPolarHBondContact O-CB 3.4Å; T253-T256 PolarHBondContact O-N 3Å; T253-V257 PolarHBondContact O-N 3.15Å; T253-K314 HydrophobicContact CG2-CB 4.21Å; T253-L315 HydrophobicContact CG2-CD2 3.95Å; T253-L315 HydrophobicContact CG2-CG 4.42Å; T253-L318 HydrophobicContact CG2-CD2 3.91Å |
| 254 | L | 98.5 | Very high | 98.2 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -32.6 | 176 | -71.8 | 178.3 | 0 | 0 | 0 | 113.1 | L165 R166 K169 I250 E251 T256 V257 K258 | L165-L254 HydrophobicContact CD2-CD2 3.75Å; L165-L254 HydrophobicContact CD2-CG 4.19Å; L165-L254 HydrophobicContact CG-CD2 4.16Å; R166-L254 HydrophobicContact CG-CD2 4.09Å; K169-L254 HydrophobicContact CD-CD1 3.48Å; K169-L254 VanDerWaalsContact CD-CD1 3.48Å; I250-L254 HydrophobicContact CG2-CD1 4.1Å; I250-L254 HydrophobicContact CG2-CG 4.34Å; I250-L254 PolarHBondContact O-N 3.21Å; E251-L254 CarbonylContact O-C 3.6Å; E251-L254 PolarHBondContact O-N 3.31Å; E251-L254 VanDerWaalsContact O-N 3.15Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.4Å; L254-V257 WeakPolarHBondContact O-CB 3.48Å; L254-V257 PolarHBondContact O-N 2.89Å; L254-K258 WeakPolarHBondContact O-CG 3.26Å; L254-K258 PolarHBondContact O-N 3.24Å |
| 255 | M | 98.3 | Very high | 98.2 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.3 | -36 | 171.6 | -73.2 | -55.8 | -60.3 | 0 | 0 | 111.9 | E251 D252 T253 K258 Q259 | E251-M255 WeakPolarHBondContact O-CG 3.5Å; E251-M255 PolarHBondContact O-N 3.23Å; D252-M255 PolarHBondContact O-N 3.28Å; T253-M255 VanDerWaalsContact C-N 3.3Å; T253-M255 PolarHBondContact O-N 3.38Å; M255-K258 PolarHBondContact O-N 2.84Å; M255-K258 HydrophobicContact SD-CD 3.86Å; M255-Q259 WeakPolarHBondContact O-CG 3.41Å; M255-Q259 PolarHBondContact O-N 3.37Å; M255-Q259 VanDerWaalsContact O-N 3.14Å |
| 256 | T | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.6 | -37.7 | 175 | -46.6 | 0 | 0 | 0 | 0 | 111.2 | D252 T253 L254 K258 Q259 Y260 M307 V311 K314 | D252-T256 PolarHBondContact O-N 3.44Å; D252-T256 PolarHBondContact O-OG1 3.42Å; T253-T256 WeakPolarHBondContact O-CA 3.37Å; T253-T256 WeakPolarHBondContact O-CB 3.4Å; T253-T256 PolarHBondContact O-N 3Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.4Å; T256-K258 PolarHBondContact O-N 3.35Å; T256-Q259 WeakPolarHBondContact O-CB 3.38Å; T256-Q259 PolarHBondContact O-N 3.11Å; T256-Y260 PolarHBondContact O-N 2.94Å; T256-M307 HydrophobicContact CG2-CE 3.82Å; T256-V311 HydrophobicContact CG2-CG2 3.88Å; T256-K314 HydrophobicContact CG2-CD 3.98Å; T256-K314 VanDerWaalsContact OG1-CD 3.29Å; T256-K314 WeakPolarHBondContact OG1-CD 3.44Å; T256-K314 WeakPolarHBondContact OG1-CE 3.27Å; T256-K314 PolarHBondContact OG1-NZ 2.69Å |
| 257 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 171.4 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | I162 T253 L254 Q259 Y260 E261 V311 | I162-V257 HydrophobicContact CD1-CG1 3.82Å; I162-V257 HydrophobicContact CD1-CG2 4.14Å; I162-V257 HydrophobicContact CG1-CG1 4.15Å; I162-V257 HydrophobicContact CG1-CG2 3.9Å; I162-V257 HydrophobicContact CG2-CG1 3.83Å; T253-V257 PolarHBondContact O-N 3.15Å; L254-V257 WeakPolarHBondContact O-CB 3.48Å; L254-V257 PolarHBondContact O-N 2.89Å; V257-Q259 VanDerWaalsContact C-N 3.3Å; V257-Q259 PolarHBondContact O-N 2.95Å; V257-Y260 WeakPolarHBondContact O-CB 3.34Å; V257-Y260 PolarHBondContact O-N 2.98Å; V257-Y260 VanDerWaalsContact O-N 3.15Å; V257-E261 HydrophobicContact CG1-CG 4.42Å; V257-E261 WeakPolarHBondContact O-CG 3.36Å; V257-E261 PolarHBondContact O-N 3.15Å; V257-V311 HydrophobicContact CG2-CG1 3.86Å; V257-V311 HydrophobicContact CG2-CG2 4.41Å |
| 258 | K | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 42 Ų | 42 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 175.7 | -70.4 | 173.3 | -173.1 | 167.1 | 0 | 111.9 | E251 L254 M255 T256 E261 S262 | E251-K258 IonicContact OE1-NZ 3.32Å; L254-K258 WeakPolarHBondContact O-CG 3.26Å; L254-K258 PolarHBondContact O-N 3.24Å; M255-K258 PolarHBondContact O-N 2.84Å; M255-K258 HydrophobicContact SD-CD 3.86Å; T256-K258 PolarHBondContact O-N 3.35Å; K258-E261 PolarHBondContact O-N 3.44Å; K258-S262 WeakPolarHBondContact O-CB 3.48Å; K258-S262 PolarHBondContact O-N 3.34Å |
| 259 | Q | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 35.6 Ų | 35.6 | 50% | 0.495 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 175.7 | -69.9 | 170.7 | -3.2 | 0 | 0 | 112 | M255 T256 V257 S262 A263 M307 | M255-Q259 WeakPolarHBondContact O-CG 3.41Å; M255-Q259 PolarHBondContact O-N 3.37Å; M255-Q259 VanDerWaalsContact O-N 3.14Å; T256-Q259 WeakPolarHBondContact O-CB 3.38Å; T256-Q259 PolarHBondContact O-N 3.11Å; V257-Q259 VanDerWaalsContact C-N 3.3Å; V257-Q259 PolarHBondContact O-N 2.95Å; Q259-S262 PolarHBondContact O-N 3.45Å; Q259-A263 WeakPolarHBondContact O-CB 3.34Å; Q259-A263 PolarHBondContact O-N 3.15Å; Q259-M307 HydrophobicContact CB-CE 3.44Å; Q259-M307 VanDerWaalsContact CB-CE 3.44Å; Q259-M307 HydrophobicContact CB-SD 4.34Å |
| 260 | Y | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | 173.5 | 160.6 | -103.1 | 0 | 0 | 0 | 112 | L158 I162 T256 V257 S262 A263 R264 Y304 M307 R308 V311 | L158-Y260 HydrophobicContact CD2-CE1 3.99Å; L158-Y260 HydrophobicContact CD2-CE2 4.07Å; I162-Y260 HydrophobicContact CD1-CD1 4.49Å; I162-Y260 HydrophobicContact CD1-CE1 4.43Å; T256-Y260 PolarHBondContact O-N 2.94Å; V257-Y260 WeakPolarHBondContact O-CB 3.34Å; V257-Y260 PolarHBondContact O-N 2.98Å; V257-Y260 VanDerWaalsContact O-N 3.15Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 3.04Å; Y260-A263 PolarHBondContact O-N 3.39Å; Y260-R264 WeakPolarHBondContact O-CB 3.45Å; Y260-R264 PolarHBondContact O-N 3.38Å; Y260-Y304 HydrophobicContact CD2-CD2 4.43Å; Y260-Y304 HydrophobicContact CD2-CE2 4.17Å; Y260-Y304 HydrophobicContact CE2-CD2 4.03Å; Y260-Y304 AromaticContact CE2-CE2 3.36Å; Y260-Y304 HydrophobicContact CE2-CE2 3.36Å; Y260-Y304 AromaticContact CZ-CE2 3.96Å; Y260-Y304 PolarHBondContact OH-OH 3.07Å; Y260-M307 HydrophobicContact CD2-CB 4.27Å; Y260-R308 HydrophobicContact CD2-CB 4.08Å; Y260-R308 HydrophobicContact CE2-CB 3.73Å; Y260-R308 HydrophobicContact CE2-CG 3.99Å; Y260-V311 HydrophobicContact CG-CG2 4.07Å |
| 261 | E | 98.2 | Very high | 98.2 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 29% | 0.285 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.3 | -71.8 | 175.6 | 160.4 | 0 | 0 | 111.2 | R166 V257 K258 R264 I265 | R166-E261 IonicContact CZ-OE1 2.62Å; R166-E261 IonicContact NH1-OE1 2.66Å; R166-E261 IonicContact NH2-OE1 3.44Å; R166-E261 PolarHBondContact NH2-OE1 3Å; R166-E261 IonicContact NH2-OE2 3.98Å; V257-E261 HydrophobicContact CG1-CG 4.42Å; V257-E261 WeakPolarHBondContact O-CG 3.36Å; V257-E261 PolarHBondContact O-N 3.15Å; K258-E261 PolarHBondContact O-N 3.44Å; E261-R264 PolarHBondContact O-N 2.95Å; E261-I265 WeakPolarHBondContact O-CG1 3.46Å; E261-I265 PolarHBondContact O-N 2.83Å; E261-I265 VanDerWaalsContact O-N 3.1Å |
| 262 | S | 98 | Very high | 98.1 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 41% | 0.406 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.6 | -45 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | K258 Q259 Y260 R264 I265 E266 | K258-S262 WeakPolarHBondContact O-CB 3.48Å; K258-S262 PolarHBondContact O-N 3.34Å; Q259-S262 PolarHBondContact O-N 3.45Å; Y260-S262 VanDerWaalsContact C-N 3.28Å; Y260-S262 PolarHBondContact O-N 3.04Å; S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.47Å; S262-I265 PolarHBondContact O-N 2.91Å; S262-E266 WeakPolarHBondContact O-CG 3.48Å; S262-E266 PolarHBondContact O-N 2.89Å; S262-E266 VanDerWaalsContact O-N 3.09Å |
| 263 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.5 | -35.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q259 Y260 E266 Y267 K303 M307 | Q259-A263 WeakPolarHBondContact O-CB 3.34Å; Q259-A263 PolarHBondContact O-N 3.15Å; Y260-A263 PolarHBondContact O-N 3.39Å; A263-E266 PolarHBondContact O-N 3.05Å; A263-Y267 WeakPolarHBondContact O-CB 3.39Å; A263-Y267 PolarHBondContact O-N 2.9Å; A263-K303 HydrophobicContact CB-CG 4.29Å; A263-M307 HydrophobicContact CB-CB 4.24Å; A263-M307 HydrophobicContact CB-CG 3.94Å |
| 264 | R | 98.4 | Very high | 97.9 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 175 | -170.7 | -139.9 | 81.4 | -162.8 | 0.8 | 111.7 | E145 R152 T153 Y260 E261 S262 E266 Y267 D268 Y304 | E145-R264 IonicContact OE1-NH2 2.62Å; E145-R264 PolarHBondContact OE1-NH2 3.39Å; E145-R264 IonicContact OE2-CZ 3.51Å; E145-R264 IonicContact OE2-NH2 3.94Å; E145-R264 PolarHBondContact OE2-NH2 2.93Å; R152-R264 VanDerWaalsContact NE-NH1 3.1Å; R152-R264 VanDerWaalsContact NH2-NH1 3.16Å; T153-R264 HydrophobicContact CG2-CG 4.48Å; T153-R264 WeakPolarHBondContact O-CD 3.41Å; Y260-R264 WeakPolarHBondContact O-CB 3.45Å; Y260-R264 PolarHBondContact O-N 3.38Å; E261-R264 PolarHBondContact O-N 2.95Å; S262-R264 VanDerWaalsContact C-N 3.32Å; S262-R264 PolarHBondContact O-N 3.47Å; R264-E266 VanDerWaalsContact C-N 3.34Å; R264-E266 PolarHBondContact O-N 2.69Å; R264-Y267 PolarHBondContact O-N 3.01Å; R264-D268 IonicContact NE-OD2 2.64Å; R264-D268 PolarHBondContact O-N 2.9Å; R264-Y304 HydrophobicContact CB-CD2 3.82Å; R264-Y304 HydrophobicContact CB-CE2 3.76Å; R264-Y304 HydrophobicContact CG-CD2 4.19Å; R264-Y304 HydrophobicContact CG-CE2 3.72Å |
| 265 | I | 98.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 35 Ų | 35 | 16% | 0.159 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.4 | -67.9 | 161.7 | 0 | 0 | 0 | 110.8 | C138 Q141 I142 E261 S262 D268 A269 | C138-I265 HydrophobicContact CB-CG2 3.79Å; Q141-I265 HydrophobicContact CB-CG2 4.43Å; Q141-I265 HydrophobicContact CG-CG2 4.37Å; I142-I265 HydrophobicContact CD1-CD1 4.08Å; I142-I265 HydrophobicContact CD1-CG2 4.15Å; I142-I265 HydrophobicContact CG1-CD1 3.95Å; I142-I265 HydrophobicContact CG1-CG1 4.32Å; I142-I265 HydrophobicContact CG1-CG2 3.82Å; E261-I265 WeakPolarHBondContact O-CG1 3.46Å; E261-I265 PolarHBondContact O-N 2.83Å; E261-I265 VanDerWaalsContact O-N 3.1Å; S262-I265 PolarHBondContact O-N 2.91Å; I265-D268 PolarHBondContact O-N 3.34Å; I265-A269 WeakPolarHBondContact O-CB 3.3Å; I265-A269 PolarHBondContact O-N 3.33Å |
| 266 | E | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 9% | 0.093 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 175 | -72.6 | 177.8 | 173.7 | 0 | 0 | 111 | N134 C138 S262 A263 R264 D268 A269 Y270 H300 K303 | N134-E266 PolarHBondContact ND2-OE1 3.29Å; C138-E266 VanDerWaalsContact SG-CG 3.53Å; S262-E266 WeakPolarHBondContact O-CG 3.48Å; S262-E266 PolarHBondContact O-N 2.89Å; S262-E266 VanDerWaalsContact O-N 3.09Å; A263-E266 PolarHBondContact O-N 3.05Å; R264-E266 VanDerWaalsContact C-N 3.34Å; R264-E266 PolarHBondContact O-N 2.69Å; E266-D268 VanDerWaalsContact C-N 3.35Å; E266-D268 PolarHBondContact O-N 3.04Å; E266-A269 PolarHBondContact O-N 3.33Å; E266-A269 VanDerWaalsContact O-N 3.15Å; E266-Y270 VanDerWaalsContact O-CD2 3.26Å; E266-Y270 WeakPolarHBondContact O-CD2 3.25Å; E266-Y270 PolarHBondContact O-N 3.36Å; E266-H300 IonicContact OE2-CE1 3.85Å; E266-H300 PolarHBondContact OE2-CE1 3.47Å; E266-H300 IonicContact OE2-ND1 2.62Å; E266-H300 PolarHBondContact OE2-ND1 2.91Å; E266-H300 VanDerWaalsContact OE2-ND1 3.16Å; E266-K303 IonicContact OE1-NZ 3.7Å; E266-K303 PolarHBondContact OE1-NZ 3.34Å; E266-K303 IonicContact OE2-NZ 3.16Å; E266-K303 PolarHBondContact OE2-NZ 3.22Å |
| 267 | Y | 98.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.8 | -49.9 | 177.3 | 167.2 | -111.6 | 0 | 0 | 0 | 112.2 | T153 A263 R264 A269 Y270 R271 F297 K301 Y304 | T153-Y267 HydrophobicContact CG2-CE1 4.29Å; T153-Y267 WeakPolarHBondContact OG1-CE1 3.39Å; A263-Y267 WeakPolarHBondContact O-CB 3.39Å; A263-Y267 PolarHBondContact O-N 2.9Å; R264-Y267 PolarHBondContact O-N 3.01Å; Y267-A269 VanDerWaalsContact C-N 3.32Å; Y267-A269 PolarHBondContact O-N 3.13Å; Y267-Y270 PolarHBondContact O-N 3.33Å; Y267-R271 VanDerWaalsContact O-CB 3.32Å; Y267-R271 WeakPolarHBondContact O-CB 3.48Å; Y267-R271 PolarHBondContact O-N 2.74Å; Y267-F297 HydrophobicContact CD2-CE2 4.24Å; Y267-F297 HydrophobicContact CE2-CD2 4.19Å; Y267-F297 AromaticContact CE2-CE2 3.44Å; Y267-F297 HydrophobicContact CE2-CE2 3.44Å; Y267-F297 VanDerWaalsContact CE2-CE2 3.44Å; Y267-F297 AromaticContact CE2-CZ 4Å; Y267-F297 HydrophobicContact CE2-CZ 4Å; Y267-K301 HydrophobicContact CD2-CB 3.85Å; Y267-K301 HydrophobicContact CD2-CG 4.23Å; Y267-K301 HydrophobicContact CE2-CB 3.72Å; Y267-K301 HydrophobicContact CE2-CD 4.39Å; Y267-K301 HydrophobicContact CE2-CG 3.73Å; Y267-Y304 HydrophobicContact CD1-CD1 4.18Å; Y267-Y304 HydrophobicContact CD1-CG 4.31Å; Y267-Y304 HydrophobicContact CG-CD1 4.4Å; Y267-Y304 HydrophobicContact CG-CG 4.29Å |
| 268 | D | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 178.9 | -77.2 | -35 | 0 | 0 | 0 | 112.4 | Q141 T153 R264 I265 E266 R271 T272 | Q141-D268 HydrophobicContact CG-CB 3.94Å; T153-D268 WeakPolarHBondContact CB-OD1 3.43Å; T153-D268 PolarHBondContact N-OD1 3.41Å; T153-D268 PolarHBondContact N-OD2 2.95Å; T153-D268 PolarHBondContact OG1-OD1 2.84Å; R264-D268 IonicContact NE-OD2 2.64Å; R264-D268 PolarHBondContact O-N 2.9Å; I265-D268 PolarHBondContact O-N 3.34Å; E266-D268 VanDerWaalsContact C-N 3.35Å; E266-D268 PolarHBondContact O-N 3.04Å; D268-R271 PolarHBondContact O-N 3.16Å; D268-R271 IonicContact OD1-NE 2.76Å; D268-R271 IonicContact OD1-NH2 3.74Å; D268-T272 WeakPolarHBondContact O-CB 3.47Å; D268-T272 PolarHBondContact O-N 3.35Å; D268-T272 PolarHBondContact O-OG1 2.85Å |
| 269 | A | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K137 Q141 I265 E266 Y267 T272 D273 | K137-A269 HydrophobicContact CB-CB 4.13Å; Q141-A269 HydrophobicContact CB-CB 3.84Å; Q141-A269 HydrophobicContact CG-CB 4.23Å; I265-A269 WeakPolarHBondContact O-CB 3.3Å; I265-A269 PolarHBondContact O-N 3.33Å; E266-A269 PolarHBondContact O-N 3.33Å; E266-A269 VanDerWaalsContact O-N 3.15Å; Y267-A269 VanDerWaalsContact C-N 3.32Å; Y267-A269 PolarHBondContact O-N 3.13Å; A269-T272 PolarHBondContact O-N 2.88Å; A269-D273 PolarHBondContact O-N 2.93Å; A269-D273 VanDerWaalsContact O-N 3.07Å |
| 270 | Y | 97.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.9 | -26.9 | 177.6 | -75 | -89.4 | 0 | 0 | 0 | 113.1 | N134 K137 E266 Y267 L274 L296 H300 | N134-Y270 WeakPolarHBondContact OD1-CE2 3.34Å; N134-Y270 PolarHBondContact OD1-OH 3.34Å; K137-Y270 HydrophobicContact CD-CE1 4Å; K137-Y270 HydrophobicContact CD-CE2 4.34Å; K137-Y270 VanDerWaalsContact NZ-CE1 3.31Å; E266-Y270 VanDerWaalsContact O-CD2 3.26Å; E266-Y270 WeakPolarHBondContact O-CD2 3.25Å; E266-Y270 PolarHBondContact O-N 3.36Å; Y267-Y270 PolarHBondContact O-N 3.33Å; Y270-L274 WeakPolarHBondContact O-CB 3.36Å; Y270-L274 PolarHBondContact O-N 3.26Å; Y270-L274 VanDerWaalsContact O-N 3.15Å; Y270-L296 HydrophobicContact CD1-CB 3.8Å; Y270-L296 HydrophobicContact CD1-CD1 4.48Å; Y270-L296 HydrophobicContact CE1-CB 4.03Å; Y270-L296 HydrophobicContact CE1-CD1 4.07Å; Y270-L296 HydrophobicContact CE1-CG 4.48Å; Y270-H300 HydrophobicContact CD2-CB 4.41Å; Y270-H300 AromaticContact CD2-CD2 3.37Å; Y270-H300 WeakPolarHBondContact CD2-CD2 3.44Å; Y270-H300 AromaticContact CD2-CG 3.76Å; Y270-H300 AromaticContact CD2-NE2 3.64Å; Y270-H300 AromaticContact CE2-CD2 3.5Å; Y270-H300 AromaticContact CE2-CE1 3.68Å; Y270-H300 AromaticContact CE2-NE2 3.22Å; Y270-H300 WeakPolarHBondContact CE2-NE2 3.41Å; Y270-H300 AromaticContact CG-CD2 3.77Å; Y270-H300 AromaticContact CZ-CD2 3.96Å; Y270-H300 AromaticContact CZ-NE2 3.56Å |
| 271 | R | 97.8 | Very high | 96.1 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 169.4 | -175.4 | -178.8 | 59.9 | 70.6 | 8.2 | 110.7 | S151 Y267 D268 D273 L274 E275 F297 | S151-R271 PolarHBondContact O-NH2 3.09Å; S151-R271 PolarHBondContact OG-NH1 3.41Å; S151-R271 PolarHBondContact OG-NH2 2.95Å; Y267-R271 VanDerWaalsContact O-CB 3.32Å; Y267-R271 WeakPolarHBondContact O-CB 3.48Å; Y267-R271 PolarHBondContact O-N 2.74Å; D268-R271 PolarHBondContact O-N 3.16Å; D268-R271 IonicContact OD1-NE 2.76Å; D268-R271 IonicContact OD1-NH2 3.74Å; R271-D273 PolarHBondContact O-N 3.01Å; R271-L274 PolarHBondContact O-N 3.38Å; R271-E275 WeakPolarHBondContact CG-OE1 3.34Å; R271-E275 IonicContact CZ-OE1 3.78Å; R271-E275 IonicContact NH1-OE1 2.73Å; R271-E275 PolarHBondContact NH1-OE1 3.34Å; R271-E275 IonicContact NH1-OE2 3.19Å; R271-E275 PolarHBondContact NH1-OE2 3.46Å; R271-E275 WeakPolarHBondContact O-CG 3.32Å; R271-E275 PolarHBondContact O-N 2.92Å; R271-F297 HydrophobicContact CB-CD2 3.98Å; R271-F297 HydrophobicContact CB-CE2 3.79Å; R271-F297 HydrophobicContact CG-CD2 4.42Å; R271-F297 HydrophobicContact CG-CE2 3.86Å |
| 272 | T | 96.1 | Very high | 95.8 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.153 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | Q141 D268 A269 L274 E275 E276 | Q141-T272 PolarHBondContact OE1-OG1 3.34Å; D268-T272 WeakPolarHBondContact O-CB 3.47Å; D268-T272 PolarHBondContact O-N 3.35Å; D268-T272 PolarHBondContact O-OG1 2.85Å; A269-T272 PolarHBondContact O-N 2.88Å; T272-L274 VanDerWaalsContact C-N 3.32Å; T272-L274 PolarHBondContact O-N 3.15Å; T272-E275 WeakPolarHBondContact O-CB 3.4Å; T272-E275 PolarHBondContact O-N 3.1Å; T272-E276 HydrophobicContact CG2-CG 4.43Å; T272-E276 WeakPolarHBondContact O-CG 3.44Å; T272-E276 PolarHBondContact O-N 3.17Å |
| 273 | D | 94.7 | Very high | 95.6 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -39 | 177.3 | -79.6 | 15.5 | 0 | 0 | 0 | 113 | K137 R140 A269 R271 L277 | K137-D273 VanDerWaalsContact CD-OD2 3.24Å; K137-D273 WeakPolarHBondContact CD-OD2 3.45Å; K137-D273 WeakPolarHBondContact CE-OD2 3.43Å; K137-D273 IonicContact NZ-OD2 2.65Å; K137-D273 PolarHBondContact NZ-OD2 3.36Å; R140-D273 IonicContact CZ-OD1 3.67Å; R140-D273 IonicContact NH2-OD1 3.44Å; R140-D273 PolarHBondContact NH2-OD1 2.73Å; R140-D273 IonicContact NH2-OD2 2.69Å; A269-D273 PolarHBondContact O-N 2.93Å; A269-D273 VanDerWaalsContact O-N 3.07Å; R271-D273 PolarHBondContact O-N 3.01Å; D273-L277 WeakPolarHBondContact O-CB 3.48Å; D273-L277 VanDerWaalsContact O-CG 3.31Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 2.87Å |
| 274 | L | 96.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 176 | 179.6 | 61.6 | 0 | 0 | 0 | 111.4 | Y270 R271 T272 L277 N278 I290 Q294 F297 | Y270-L274 WeakPolarHBondContact O-CB 3.36Å; Y270-L274 PolarHBondContact O-N 3.26Å; Y270-L274 VanDerWaalsContact O-N 3.15Å; R271-L274 PolarHBondContact O-N 3.38Å; T272-L274 VanDerWaalsContact C-N 3.32Å; T272-L274 PolarHBondContact O-N 3.15Å; L274-L277 PolarHBondContact O-N 3.38Å; L274-N278 WeakPolarHBondContact O-CB 3.37Å; L274-N278 PolarHBondContact O-N 2.92Å; L274-N278 PolarHBondContact O-ND2 3.22Å; L274-I290 HydrophobicContact CD1-CG2 4.45Å; L274-Q294 HydrophobicContact CD1-CB 4.23Å; L274-F297 HydrophobicContact CD2-CB 3.85Å; L274-F297 HydrophobicContact CD2-CD1 3.93Å; L274-F297 HydrophobicContact CD2-CD2 4.45Å; L274-F297 HydrophobicContact CD2-CG 3.81Å |
| 275 | E | 95.4 | Very high | 95 | Very high | 93 Ų | 93 | 59.8 Ų | 59.8 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.4 | -72.5 | 168.7 | -174.3 | 0 | 0 | 111 | R271 T272 N278 L279 | R271-E275 WeakPolarHBondContact CG-OE1 3.34Å; R271-E275 IonicContact CZ-OE1 3.78Å; R271-E275 IonicContact NH1-OE1 2.73Å; R271-E275 PolarHBondContact NH1-OE1 3.34Å; R271-E275 IonicContact NH1-OE2 3.19Å; R271-E275 PolarHBondContact NH1-OE2 3.46Å; R271-E275 WeakPolarHBondContact O-CG 3.32Å; R271-E275 PolarHBondContact O-N 2.92Å; T272-E275 WeakPolarHBondContact O-CB 3.4Å; T272-E275 PolarHBondContact O-N 3.1Å; E275-N278 PolarHBondContact O-N 2.75Å; E275-L279 PolarHBondContact O-N 2.57Å |
| 276 | E | 93.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 59.3 Ų | 59.3 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 177 | -73.8 | 179.3 | -175.6 | 0 | 0 | 112.4 | T272 N278 L279 | T272-E276 HydrophobicContact CG2-CG 4.43Å; T272-E276 WeakPolarHBondContact O-CG 3.44Å; T272-E276 PolarHBondContact O-N 3.17Å; E276-N278 VanDerWaalsContact C-N 3.29Å; E276-N278 PolarHBondContact O-N 3.15Å; E276-L279 PolarHBondContact O-N 3.49Å |
| 277 | L | 93.8 | Very high | 94.4 | Very high | 57 Ų | 57 | 62.7 Ų | 62.7 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.3 | -34.2 | 177.7 | -75.7 | 171.9 | 0 | 0 | 0 | 112.5 | D273 L274 L279 G280 I290 | D273-L277 WeakPolarHBondContact O-CB 3.48Å; D273-L277 VanDerWaalsContact O-CG 3.31Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 2.87Å; L274-L277 PolarHBondContact O-N 3.38Å; L277-L279 VanDerWaalsContact C-N 3.25Å; L277-L279 PolarHBondContact O-N 3.25Å; L277-G280 PolarHBondContact O-N 2.81Å; L277-G280 VanDerWaalsContact O-N 3.12Å; L277-I290 HydrophobicContact CB-CG1 4.12Å |
| 278 | N | 93.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.3 | -19.4 | 178.4 | -82.8 | -44.7 | 0 | 0 | 0 | 113.8 | L274 E275 E276 G280 | L274-N278 WeakPolarHBondContact O-CB 3.37Å; L274-N278 PolarHBondContact O-N 2.92Å; L274-N278 PolarHBondContact O-ND2 3.22Å; E275-N278 PolarHBondContact O-N 2.75Å; E276-N278 VanDerWaalsContact C-N 3.29Å; E276-N278 PolarHBondContact O-N 3.15Å; N278-G280 VanDerWaalsContact C-N 3.3Å |
| 279 | L | 94.1 | Very high | 94 | Very high | 157 Ų | 157 | 70.3 Ų | 70.3 | 82% | 0.822 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.7 | 171.6 | -63.7 | 173.1 | 0 | 0 | 0 | 112.7 | E275 E276 L277 | E275-L279 PolarHBondContact O-N 2.57Å; E276-L279 PolarHBondContact O-N 3.49Å; L277-L279 VanDerWaalsContact C-N 3.25Å; L277-L279 PolarHBondContact O-N 3.25Å |
| 280 | G | 90.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 71 Ų | 71 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.1 | 170.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L277 N278 | L277-G280 PolarHBondContact O-N 2.81Å; L277-G280 VanDerWaalsContact O-N 3.12Å; N278-G280 VanDerWaalsContact C-N 3.3Å |
| 281 | P | 90.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 77.4 Ų | 77.4 | 59% | 0.591 | 41% | 0.408 | S | S | * | . | trans | -65.9 | 143.1 | 177 | 28.3 | -34.2 | 0 | 0 | 0 | 111.8 | D283 T286 | P281-D283 VanDerWaalsContact C-N 3.31Å; P281-D283 PolarHBondContact O-N 3Å; P281-T286 VanDerWaalsContact O-CB 3.26Å; P281-T286 WeakPolarHBondContact O-CB 3.24Å; P281-T286 VanDerWaalsContact O-CG2 3.32Å; P281-T286 WeakPolarHBondContact O-CG2 3.38Å | ||
| 282 | R | 92 | Very high | 93.6 | Very high | 184 Ų | 184 | 81.8 Ų | 81.8 | 69% | 0.694 | 43% | 0.43 | S | S | * | . | trans | -91.2 | 59.4 | 177.2 | -64.3 | -165.7 | 178.7 | 176.4 | -0.2 | 112.3 | ||||
| 283 | D | 93.6 | Very high | 93.6 | Very high | 69 Ų | 69 | 81 Ų | 81 | 37% | 0.369 | 43% | 0.425 | S | S | . | . | trans | -87.4 | 171.1 | 174.8 | 68.5 | 19.2 | 0 | 0 | 0 | 112.4 | P281 N285 T286 L287 | P281-D283 VanDerWaalsContact C-N 3.31Å; P281-D283 PolarHBondContact O-N 3Å; D283-N285 PolarHBondContact O-N 3.44Å; D283-N285 VanDerWaalsContact O-N 3.09Å; D283-N285 PolarHBondContact OD1-N 2.85Å; D283-N285 VanDerWaalsContact OD1-N 3.13Å; D283-T286 PolarHBondContact O-N 3.23Å; D283-T286 VanDerWaalsContact O-N 3.15Å; D283-T286 WeakPolarHBondContact OD1-CB 3.36Å; D283-T286 PolarHBondContact OD1-N 3.42Å; D283-T286 PolarHBondContact OD1-OG1 3.07Å; D283-L287 WeakPolarHBondContact O-CD1 3.43Å; D283-L287 PolarHBondContact O-N 2.74Å | ||
| 284 | A | 91.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 85.6 Ų | 85.6 | 70% | 0.702 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | P288 | A284-P288 VanDerWaalsContact O-CD 3.25Å; A284-P288 WeakPolarHBondContact O-CD 3.29Å |
| 285 | N | 91.9 | Very high | 93.9 | Very high | 121 Ų | 121 | 91.4 Ų | 91.4 | 65% | 0.647 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -26.8 | 179.8 | -66.9 | -35.3 | 0 | 0 | 0 | 112.7 | D283 | D283-N285 PolarHBondContact O-N 3.44Å; D283-N285 VanDerWaalsContact O-N 3.09Å; D283-N285 PolarHBondContact OD1-N 2.85Å; D283-N285 VanDerWaalsContact OD1-N 3.13Å |
| 286 | T | 91.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 89 Ų | 89 | 13% | 0.129 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -35.1 | -175.4 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | P281 D283 K289 I290 | P281-T286 VanDerWaalsContact O-CB 3.26Å; P281-T286 WeakPolarHBondContact O-CB 3.24Å; P281-T286 VanDerWaalsContact O-CG2 3.32Å; P281-T286 WeakPolarHBondContact O-CG2 3.38Å; D283-T286 PolarHBondContact O-N 3.23Å; D283-T286 VanDerWaalsContact O-N 3.15Å; D283-T286 WeakPolarHBondContact OD1-CB 3.36Å; D283-T286 PolarHBondContact OD1-N 3.42Å; D283-T286 PolarHBondContact OD1-OG1 3.07Å; T286-K289 WeakPolarHBondContact O-CB 3.39Å; T286-K289 PolarHBondContact O-N 3.42Å; T286-I290 HydrophobicContact CG2-CD1 3.96Å; T286-I290 HydrophobicContact CG2-CG1 4.21Å; T286-I290 PolarHBondContact O-N 3.29Å |
| 287 | L | 93.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 85.5 Ų | 85.5 | 48% | 0.476 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -50.3 | -49.8 | 176.6 | -90.1 | 151.7 | 0 | 0 | 0 | 113.4 | D283 K289 I290 E291 | D283-L287 WeakPolarHBondContact O-CD1 3.43Å; D283-L287 PolarHBondContact O-N 2.74Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.36Å; L287-I290 PolarHBondContact O-N 3.49Å; L287-E291 PolarHBondContact O-N 3.1Å |
| 288 | P | 94.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 86.6 Ų | 86.6 | 46% | 0.461 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 177.2 | -23 | 34.1 | 0 | 0 | 0 | 113.7 | A284 Q292 | A284-P288 VanDerWaalsContact O-CD 3.25Å; A284-P288 WeakPolarHBondContact O-CD 3.29Å; P288-Q292 WeakPolarHBondContact O-CB 3.47Å; P288-Q292 PolarHBondContact O-N 2.97Å |
| 289 | K | 93.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 85.5 Ų | 85.5 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.1 | -37.1 | 178 | -63.7 | 178.4 | -175.9 | 173.4 | 0 | 111.7 | T286 L287 S293 | T286-K289 WeakPolarHBondContact O-CB 3.39Å; T286-K289 PolarHBondContact O-N 3.42Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.36Å; K289-S293 VanDerWaalsContact O-CB 3.28Å; K289-S293 WeakPolarHBondContact O-CB 3.38Å; K289-S293 PolarHBondContact O-N 2.92Å |
| 290 | I | 95.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 79.1 Ų | 79.1 | 8% | 0.077 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 173.9 | -68.1 | 168.9 | 0 | 0 | 0 | 109.4 | L274 L277 T286 L287 Q292 S293 Q294 | L274-I290 HydrophobicContact CD1-CG2 4.45Å; L277-I290 HydrophobicContact CB-CG1 4.12Å; T286-I290 HydrophobicContact CG2-CD1 3.96Å; T286-I290 HydrophobicContact CG2-CG1 4.21Å; T286-I290 PolarHBondContact O-N 3.29Å; L287-I290 PolarHBondContact O-N 3.49Å; I290-Q292 PolarHBondContact O-N 3.4Å; I290-S293 PolarHBondContact O-N 3.46Å; I290-Q294 WeakPolarHBondContact O-CB 3.34Å; I290-Q294 PolarHBondContact O-N 3.45Å |
| 291 | E | 95.7 | Very high | 95.1 | Very high | 142 Ų | 142 | 81.1 Ų | 81.1 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.1 | -46.6 | 178.1 | -174.8 | 177.5 | -166.7 | 0 | 0 | 111.5 | L287 S293 Q294 H295 | L287-E291 PolarHBondContact O-N 3.1Å; E291-S293 PolarHBondContact O-N 3.43Å; E291-Q294 WeakPolarHBondContact O-CB 3.46Å; E291-Q294 PolarHBondContact O-N 2.87Å; E291-H295 PolarHBondContact O-N 3.38Å; E291-H295 VanDerWaalsContact O-N 3.1Å |
| 292 | Q | 95 | Very high | 95.5 | Very high | 129 Ų | 129 | 82.1 Ų | 82.1 | 60% | 0.603 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 175 | -172.6 | -177.7 | 18 | 0 | 0 | 112.6 | P288 I290 Q294 H295 L296 | P288-Q292 WeakPolarHBondContact O-CB 3.47Å; P288-Q292 PolarHBondContact O-N 2.97Å; I290-Q292 PolarHBondContact O-N 3.4Å; Q292-Q294 VanDerWaalsContact C-N 3.3Å; Q292-Q294 PolarHBondContact O-N 2.92Å; Q292-H295 PolarHBondContact O-N 3.14Å; Q292-L296 HydrophobicContact CG-CD1 4.34Å; Q292-L296 WeakPolarHBondContact O-CG 3.39Å; Q292-L296 PolarHBondContact O-N 3.09Å; Q292-L296 VanDerWaalsContact O-N 3.1Å |
| 293 | S | 95.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 77.7 Ų | 77.7 | 5% | 0.049 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 177.4 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | K289 I290 E291 L296 F297 | K289-S293 VanDerWaalsContact O-CB 3.28Å; K289-S293 WeakPolarHBondContact O-CB 3.38Å; K289-S293 PolarHBondContact O-N 2.92Å; I290-S293 PolarHBondContact O-N 3.46Å; E291-S293 PolarHBondContact O-N 3.43Å; S293-L296 PolarHBondContact O-N 3.38Å; S293-F297 WeakPolarHBondContact O-CB 3.46Å; S293-F297 PolarHBondContact O-N 3.27Å |
| 294 | Q | 97.6 | Very high | 96 | Very high | 116 Ų | 116 | 75.1 Ų | 75.1 | 54% | 0.542 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 177.4 | -170.4 | 169.2 | 3.3 | 0 | 0 | 112.2 | L274 I290 E291 Q292 Q298 | L274-Q294 HydrophobicContact CD1-CB 4.23Å; I290-Q294 WeakPolarHBondContact O-CB 3.34Å; I290-Q294 PolarHBondContact O-N 3.45Å; E291-Q294 WeakPolarHBondContact O-CB 3.46Å; E291-Q294 PolarHBondContact O-N 2.87Å; Q292-Q294 VanDerWaalsContact C-N 3.3Å; Q292-Q294 PolarHBondContact O-N 2.92Å; Q294-Q298 WeakPolarHBondContact O-CB 3.33Å; Q294-Q298 PolarHBondContact O-N 3.37Å |
| 295 | H | 97.8 | Very high | 96.3 | Very high | 140 Ų | 140 | 74.3 Ų | 74.3 | 65% | 0.648 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 172.6 | -179.6 | -80.6 | 0 | 0 | 0 | 112.1 | E291 Q292 Q298 A299 | E291-H295 PolarHBondContact O-N 3.38Å; E291-H295 VanDerWaalsContact O-N 3.1Å; Q292-H295 PolarHBondContact O-N 3.14Å; H295-Q298 PolarHBondContact O-N 2.89Å; H295-A299 PolarHBondContact O-N 3.29Å |
| 296 | L | 96.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 75.1 Ų | 75.1 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 178.2 | -70.2 | 168.2 | 0 | 0 | 0 | 112 | Y270 Q292 S293 Q298 A299 H300 | Y270-L296 HydrophobicContact CD1-CB 3.8Å; Y270-L296 HydrophobicContact CD1-CD1 4.48Å; Y270-L296 HydrophobicContact CE1-CB 4.03Å; Y270-L296 HydrophobicContact CE1-CD1 4.07Å; Y270-L296 HydrophobicContact CE1-CG 4.48Å; Q292-L296 HydrophobicContact CG-CD1 4.34Å; Q292-L296 WeakPolarHBondContact O-CG 3.39Å; Q292-L296 PolarHBondContact O-N 3.09Å; Q292-L296 VanDerWaalsContact O-N 3.1Å; S293-L296 PolarHBondContact O-N 3.38Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 2.72Å; L296-A299 PolarHBondContact O-N 2.89Å; L296-H300 PolarHBondContact O-CD2 3.48Å; L296-H300 VanDerWaalsContact O-CD2 3.24Å; L296-H300 PolarHBondContact O-N 3.34Å |
| 297 | F | 98 | Very high | 97 | Very high | 37 Ų | 37 | 75.1 Ų | 75.1 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.7 | -49 | 173.9 | 164.3 | -100.1 | 0 | 0 | 0 | 111.2 | Y267 R271 L274 S293 A299 H300 K301 | Y267-F297 HydrophobicContact CD2-CE2 4.24Å; Y267-F297 HydrophobicContact CE2-CD2 4.19Å; Y267-F297 AromaticContact CE2-CE2 3.44Å; Y267-F297 HydrophobicContact CE2-CE2 3.44Å; Y267-F297 VanDerWaalsContact CE2-CE2 3.44Å; Y267-F297 AromaticContact CE2-CZ 4Å; Y267-F297 HydrophobicContact CE2-CZ 4Å; R271-F297 HydrophobicContact CB-CD2 3.98Å; R271-F297 HydrophobicContact CB-CE2 3.79Å; R271-F297 HydrophobicContact CG-CD2 4.42Å; R271-F297 HydrophobicContact CG-CE2 3.86Å; L274-F297 HydrophobicContact CD2-CB 3.85Å; L274-F297 HydrophobicContact CD2-CD1 3.93Å; L274-F297 HydrophobicContact CD2-CD2 4.45Å; L274-F297 HydrophobicContact CD2-CG 3.81Å; S293-F297 WeakPolarHBondContact O-CB 3.46Å; S293-F297 PolarHBondContact O-N 3.27Å; F297-A299 PolarHBondContact O-N 2.91Å; F297-H300 PolarHBondContact O-N 3.4Å; F297-K301 HydrophobicContact CE1-CD 4.39Å; F297-K301 HydrophobicContact CZ-CD 4.28Å; F297-K301 WeakPolarHBondContact O-CB 3.48Å; F297-K301 PolarHBondContact O-N 2.95Å |
| 298 | Q | 98.4 | Very high | 97.3 | Very high | 80 Ų | 80 | 76 Ų | 76 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -179.9 | -175.5 | 57.2 | 40.1 | 0 | 0 | 111.6 | Q294 H295 L296 H300 K301 E302 | Q294-Q298 WeakPolarHBondContact O-CB 3.33Å; Q294-Q298 PolarHBondContact O-N 3.37Å; H295-Q298 PolarHBondContact O-N 2.89Å; L296-Q298 VanDerWaalsContact C-N 3.34Å; L296-Q298 PolarHBondContact O-N 2.72Å; Q298-H300 PolarHBondContact O-N 3.16Å; Q298-K301 WeakPolarHBondContact O-CB 3.49Å; Q298-K301 PolarHBondContact O-N 3.17Å; Q298-E302 PolarHBondContact NE2-OE1 2.89Å; Q298-E302 WeakPolarHBondContact O-CG 3.25Å; Q298-E302 PolarHBondContact O-N 2.87Å |
| 299 | A | 98 | Very high | 97.4 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | H295 L296 F297 K303 | H295-A299 PolarHBondContact O-N 3.29Å; L296-A299 PolarHBondContact O-N 2.89Å; F297-A299 PolarHBondContact O-N 2.91Å; A299-K303 PolarHBondContact O-N 3.28Å; A299-K303 VanDerWaalsContact O-N 3.1Å |
| 300 | H | 98.2 | Very high | 97.6 | Very high | 23 Ų | 23 | 74.2 Ų | 74.2 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73 | -31.2 | 177.3 | -79.1 | -78.6 | 0 | 0 | 0 | 112.6 | E266 Y270 L296 F297 Q298 K303 Y304 | E266-H300 IonicContact OE2-CE1 3.85Å; E266-H300 PolarHBondContact OE2-CE1 3.47Å; E266-H300 IonicContact OE2-ND1 2.62Å; E266-H300 PolarHBondContact OE2-ND1 2.91Å; E266-H300 VanDerWaalsContact OE2-ND1 3.16Å; Y270-H300 HydrophobicContact CD2-CB 4.41Å; Y270-H300 AromaticContact CD2-CD2 3.37Å; Y270-H300 WeakPolarHBondContact CD2-CD2 3.44Å; Y270-H300 AromaticContact CD2-CG 3.76Å; Y270-H300 AromaticContact CD2-NE2 3.64Å; Y270-H300 AromaticContact CE2-CD2 3.5Å; Y270-H300 AromaticContact CE2-CE1 3.68Å; Y270-H300 AromaticContact CE2-NE2 3.22Å; Y270-H300 WeakPolarHBondContact CE2-NE2 3.41Å; Y270-H300 AromaticContact CG-CD2 3.77Å; Y270-H300 AromaticContact CZ-CD2 3.96Å; Y270-H300 AromaticContact CZ-NE2 3.56Å; L296-H300 PolarHBondContact O-CD2 3.48Å; L296-H300 VanDerWaalsContact O-CD2 3.24Å; L296-H300 PolarHBondContact O-N 3.34Å; F297-H300 PolarHBondContact O-N 3.4Å; Q298-H300 PolarHBondContact O-N 3.16Å; H300-K303 PolarHBondContact O-N 2.85Å; H300-Y304 WeakPolarHBondContact O-CB 3.36Å; H300-Y304 PolarHBondContact O-N 3.34Å |
| 301 | K | 98.5 | Very high | 97.8 | Very high | 73 Ų | 73 | 73.5 Ų | 73.5 | 32% | 0.317 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 171.5 | -173 | -173.9 | 174.8 | -162.2 | 0 | 111.3 | Y267 F297 Q298 K303 Y304 D305 | Y267-K301 HydrophobicContact CD2-CB 3.85Å; Y267-K301 HydrophobicContact CD2-CG 4.23Å; Y267-K301 HydrophobicContact CE2-CB 3.72Å; Y267-K301 HydrophobicContact CE2-CD 4.39Å; Y267-K301 HydrophobicContact CE2-CG 3.73Å; F297-K301 HydrophobicContact CE1-CD 4.39Å; F297-K301 HydrophobicContact CZ-CD 4.28Å; F297-K301 WeakPolarHBondContact O-CB 3.48Å; F297-K301 PolarHBondContact O-N 2.95Å; Q298-K301 WeakPolarHBondContact O-CB 3.49Å; Q298-K301 PolarHBondContact O-N 3.17Å; K301-K303 VanDerWaalsContact C-N 3.32Å; K301-K303 PolarHBondContact O-N 3Å; K301-Y304 WeakPolarHBondContact O-CB 3.49Å; K301-Y304 PolarHBondContact O-N 3.46Å; K301-Y304 VanDerWaalsContact O-N 3.16Å; K301-D305 PolarHBondContact O-N 2.93Å |
| 302 | E | 98.6 | Very high | 97.9 | Very high | 112 Ų | 112 | 68.3 Ų | 68.3 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.9 | -73.6 | 168.3 | -162.9 | 0 | 0 | 112.2 | Q298 K306 | Q298-E302 PolarHBondContact NE2-OE1 2.89Å; Q298-E302 WeakPolarHBondContact O-CG 3.25Å; Q298-E302 PolarHBondContact O-N 2.87Å; E302-K306 VanDerWaalsContact O-CB 3.29Å; E302-K306 WeakPolarHBondContact O-CB 3.49Å; E302-K306 PolarHBondContact O-N 3.19Å |
| 303 | K | 98.4 | Very high | 98.1 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 174 | -176.7 | -175.9 | 173.8 | -170.9 | 0 | 111.6 | A263 E266 A299 H300 K301 M307 | A263-K303 HydrophobicContact CB-CG 4.29Å; E266-K303 IonicContact OE1-NZ 3.7Å; E266-K303 PolarHBondContact OE1-NZ 3.34Å; E266-K303 IonicContact OE2-NZ 3.16Å; E266-K303 PolarHBondContact OE2-NZ 3.22Å; A299-K303 PolarHBondContact O-N 3.28Å; A299-K303 VanDerWaalsContact O-N 3.1Å; H300-K303 PolarHBondContact O-N 2.85Å; K301-K303 VanDerWaalsContact C-N 3.32Å; K301-K303 PolarHBondContact O-N 3Å; K303-M307 WeakPolarHBondContact O-CG 3.45Å; K303-M307 PolarHBondContact O-N 3.48Å |
| 304 | Y | 98.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 67.5 Ų | 67.5 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -50.6 | 177.1 | 166.3 | -104.6 | 0 | 0 | 0 | 111.8 | T153 Y260 R264 Y267 H300 K301 K306 M307 R308 | T153-Y304 HydrophobicContact CG2-CE1 4.09Å; T153-Y304 HydrophobicContact CG2-CE2 4.44Å; T153-Y304 WeakPolarHBondContact CG2-OH 3.31Å; Y260-Y304 HydrophobicContact CD2-CD2 4.43Å; Y260-Y304 HydrophobicContact CD2-CE2 4.17Å; Y260-Y304 HydrophobicContact CE2-CD2 4.03Å; Y260-Y304 AromaticContact CE2-CE2 3.36Å; Y260-Y304 HydrophobicContact CE2-CE2 3.36Å; Y260-Y304 AromaticContact CZ-CE2 3.96Å; Y260-Y304 PolarHBondContact OH-OH 3.07Å; R264-Y304 HydrophobicContact CB-CD2 3.82Å; R264-Y304 HydrophobicContact CB-CE2 3.76Å; R264-Y304 HydrophobicContact CG-CD2 4.19Å; R264-Y304 HydrophobicContact CG-CE2 3.72Å; Y267-Y304 HydrophobicContact CD1-CD1 4.18Å; Y267-Y304 HydrophobicContact CD1-CG 4.31Å; Y267-Y304 HydrophobicContact CG-CD1 4.4Å; Y267-Y304 HydrophobicContact CG-CG 4.29Å; H300-Y304 WeakPolarHBondContact O-CB 3.36Å; H300-Y304 PolarHBondContact O-N 3.34Å; K301-Y304 WeakPolarHBondContact O-CB 3.49Å; K301-Y304 PolarHBondContact O-N 3.46Å; K301-Y304 VanDerWaalsContact O-N 3.16Å; Y304-K306 VanDerWaalsContact C-N 3.28Å; Y304-K306 PolarHBondContact O-N 3.36Å; Y304-M307 PolarHBondContact O-N 3.48Å; Y304-M307 VanDerWaalsContact O-N 3.17Å; Y304-R308 WeakPolarHBondContact O-CB 3.29Å; Y304-R308 PolarHBondContact O-N 2.98Å |
| 305 | D | 98.4 | Very high | 98.2 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | -179.9 | -73.9 | -25.8 | 0 | 0 | 0 | 111.3 | K301 N309 | K301-D305 PolarHBondContact O-N 2.93Å; D305-N309 PolarHBondContact O-N 3.48Å; D305-N309 VanDerWaalsContact O-N 3.1Å |
| 306 | K | 98.4 | Very high | 98.2 | Very high | 137 Ų | 137 | 62.5 Ų | 62.5 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.7 | -52.5 | 173.2 | -178.1 | -177.6 | 174.4 | -175.4 | 0 | 111.7 | E302 Y304 R308 N309 D310 | E302-K306 VanDerWaalsContact O-CB 3.29Å; E302-K306 WeakPolarHBondContact O-CB 3.49Å; E302-K306 PolarHBondContact O-N 3.19Å; Y304-K306 VanDerWaalsContact C-N 3.28Å; Y304-K306 PolarHBondContact O-N 3.36Å; K306-R308 VanDerWaalsContact C-N 3.27Å; K306-R308 PolarHBondContact O-N 2.97Å; K306-N309 WeakPolarHBondContact O-CB 3.34Å; K306-N309 PolarHBondContact O-N 2.88Å; K306-N309 VanDerWaalsContact O-N 3.15Å; K306-D310 VanDerWaalsContact O-CG 3.29Å; K306-D310 PolarHBondContact O-N 3.15Å |
| 307 | M | 98.3 | Very high | 98.2 | Very high | 22 Ų | 22 | 67 Ų | 67 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.1 | -36.2 | -179.3 | -74.5 | -55.8 | -46.8 | 0 | 0 | 112.4 | T256 Q259 Y260 A263 K303 Y304 D310 V311 | T256-M307 HydrophobicContact CG2-CE 3.82Å; Q259-M307 HydrophobicContact CB-CE 3.44Å; Q259-M307 VanDerWaalsContact CB-CE 3.44Å; Q259-M307 HydrophobicContact CB-SD 4.34Å; Y260-M307 HydrophobicContact CD2-CB 4.27Å; A263-M307 HydrophobicContact CB-CB 4.24Å; A263-M307 HydrophobicContact CB-CG 3.94Å; K303-M307 WeakPolarHBondContact O-CG 3.45Å; K303-M307 PolarHBondContact O-N 3.48Å; Y304-M307 PolarHBondContact O-N 3.48Å; Y304-M307 VanDerWaalsContact O-N 3.17Å; M307-D310 PolarHBondContact O-N 2.97Å; M307-V311 WeakPolarHBondContact O-CG2 3.5Å; M307-V311 PolarHBondContact O-N 3.38Å |
| 308 | R | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.6 | -174.4 | -175.8 | 169.9 | -135.5 | -5.1 | 111.1 | D155 L158 Y260 Y304 K306 S312 | D155-R308 IonicContact OD2-CZ 3.75Å; D155-R308 IonicContact OD2-NE 2.69Å; D155-R308 PolarHBondContact OD2-NE 2.85Å; D155-R308 IonicContact OD2-NH2 2.7Å; D155-R308 PolarHBondContact OD2-NH2 3.25Å; L158-R308 HydrophobicContact CD2-CG 3.96Å; Y260-R308 HydrophobicContact CD2-CB 4.08Å; Y260-R308 HydrophobicContact CE2-CB 3.73Å; Y260-R308 HydrophobicContact CE2-CG 3.99Å; Y304-R308 WeakPolarHBondContact O-CB 3.29Å; Y304-R308 PolarHBondContact O-N 2.98Å; K306-R308 VanDerWaalsContact C-N 3.27Å; K306-R308 PolarHBondContact O-N 2.97Å; R308-S312 PolarHBondContact O-N 2.9Å; R308-S312 VanDerWaalsContact O-N 3.09Å |
| 309 | N | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 66.3 Ų | 66.3 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.5 | -173.6 | 43.3 | 0 | 0 | 0 | 111.9 | D305 K306 V311 S312 V313 | D305-N309 PolarHBondContact O-N 3.48Å; D305-N309 VanDerWaalsContact O-N 3.1Å; K306-N309 WeakPolarHBondContact O-CB 3.34Å; K306-N309 PolarHBondContact O-N 2.88Å; K306-N309 VanDerWaalsContact O-N 3.15Å; N309-V311 VanDerWaalsContact C-N 3.33Å; N309-V311 PolarHBondContact O-N 3.37Å; N309-S312 WeakPolarHBondContact O-CB 3.41Å; N309-S312 PolarHBondContact O-N 3Å; N309-S312 VanDerWaalsContact O-N 3.16Å; N309-V313 WeakPolarHBondContact O-CG2 3.37Å; N309-V313 PolarHBondContact O-N 3.4Å |
| 310 | D | 98.3 | Very high | 98 | Very high | 56 Ų | 56 | 69.2 Ų | 69.2 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 179.5 | -69.5 | -13.8 | 0 | 0 | 0 | 111.6 | K306 M307 K314 | K306-D310 VanDerWaalsContact O-CG 3.29Å; K306-D310 PolarHBondContact O-N 3.15Å; M307-D310 PolarHBondContact O-N 2.97Å; D310-K314 WeakPolarHBondContact O-CB 3.38Å; D310-K314 WeakPolarHBondContact O-CG 3.32Å; D310-K314 PolarHBondContact O-N 2.69Å |
| 311 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 174.4 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | L158 I162 T256 V257 Y260 M307 N309 V313 K314 L315 | L158-V311 HydrophobicContact CD1-CG1 3.92Å; L158-V311 HydrophobicContact CD2-CB 4.46Å; L158-V311 HydrophobicContact CD2-CG1 4.28Å; L158-V311 HydrophobicContact CG-CG1 4.31Å; I162-V311 HydrophobicContact CD1-CG1 4.36Å; T256-V311 HydrophobicContact CG2-CG2 3.88Å; V257-V311 HydrophobicContact CG2-CG1 3.86Å; V257-V311 HydrophobicContact CG2-CG2 4.41Å; Y260-V311 HydrophobicContact CG-CG2 4.07Å; M307-V311 WeakPolarHBondContact O-CG2 3.5Å; M307-V311 PolarHBondContact O-N 3.38Å; N309-V311 VanDerWaalsContact C-N 3.33Å; N309-V311 PolarHBondContact O-N 3.37Å; V311-V313 VanDerWaalsContact C-N 3.29Å; V311-V313 PolarHBondContact O-N 3.45Å; V311-K314 PolarHBondContact O-N 3.46Å; V311-L315 HydrophobicContact CG1-CD1 3.73Å; V311-L315 HydrophobicContact CG1-CG 4.14Å; V311-L315 WeakPolarHBondContact O-CB 3.49Å; V311-L315 VanDerWaalsContact O-CG 3.3Å; V311-L315 WeakPolarHBondContact O-CG 3.4Å; V311-L315 PolarHBondContact O-N 3.16Å |
| 312 | S | 98.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 68.9 Ų | 68.9 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 178.8 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | R308 N309 K316 | R308-S312 PolarHBondContact O-N 2.9Å; R308-S312 VanDerWaalsContact O-N 3.09Å; N309-S312 WeakPolarHBondContact O-CB 3.41Å; N309-S312 PolarHBondContact O-N 3Å; N309-S312 VanDerWaalsContact O-N 3.16Å; S312-K316 WeakPolarHBondContact O-CG 3.45Å; S312-K316 PolarHBondContact O-N 3.27Å |
| 313 | V | 98.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 67.4 Ų | 67.4 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.1 | -46.8 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | N309 V311 L315 K316 F317 | N309-V313 WeakPolarHBondContact O-CG2 3.37Å; N309-V313 PolarHBondContact O-N 3.4Å; V311-V313 VanDerWaalsContact C-N 3.29Å; V311-V313 PolarHBondContact O-N 3.45Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.09Å; V313-K316 PolarHBondContact O-N 3.44Å; V313-F317 HydrophobicContact CG1-CD2 3.6Å; V313-F317 HydrophobicContact CG1-CE2 3.38Å; V313-F317 VanDerWaalsContact O-CD2 3.24Å; V313-F317 WeakPolarHBondContact O-CD2 3.38Å; V313-F317 PolarHBondContact O-N 3.5Å; V313-F317 VanDerWaalsContact O-N 3.11Å |
| 314 | K | 97.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 178.4 | -81.1 | -158.3 | 179 | -167.8 | 0 | 112.8 | D252 T253 T256 D310 V311 K316 F317 L318 | D252-K314 IonicContact OD1-NZ 3.82Å; D252-K314 IonicContact OD2-NZ 3.91Å; D252-K314 PolarHBondContact OD2-NZ 3.32Å; T253-K314 HydrophobicContact CG2-CB 4.21Å; T256-K314 HydrophobicContact CG2-CD 3.98Å; T256-K314 VanDerWaalsContact OG1-CD 3.29Å; T256-K314 WeakPolarHBondContact OG1-CD 3.44Å; T256-K314 WeakPolarHBondContact OG1-CE 3.27Å; T256-K314 PolarHBondContact OG1-NZ 2.69Å; D310-K314 WeakPolarHBondContact O-CB 3.38Å; D310-K314 WeakPolarHBondContact O-CG 3.32Å; D310-K314 PolarHBondContact O-N 2.69Å; V311-K314 PolarHBondContact O-N 3.46Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.31Å; K314-F317 PolarHBondContact O-N 3.21Å; K314-L318 VanDerWaalsContact O-CB 3.25Å; K314-L318 WeakPolarHBondContact O-CB 3.34Å; K314-L318 PolarHBondContact O-N 3.37Å |
| 315 | L | 98.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.8 | -73.8 | 170.2 | 0 | 0 | 0 | 111.8 | L158 Q161 I162 L165 T253 V311 V313 L318 E319 | L158-L315 HydrophobicContact CD1-CD1 3.67Å; Q161-L315 HydrophobicContact CB-CD1 3.99Å; I162-L315 HydrophobicContact CG1-CD1 4.32Å; L165-L315 HydrophobicContact CB-CD2 4.36Å; L165-L315 HydrophobicContact CD2-CD2 3.65Å; T253-L315 HydrophobicContact CG2-CD2 3.95Å; T253-L315 HydrophobicContact CG2-CG 4.42Å; V311-L315 HydrophobicContact CG1-CD1 3.73Å; V311-L315 HydrophobicContact CG1-CG 4.14Å; V311-L315 WeakPolarHBondContact O-CB 3.49Å; V311-L315 VanDerWaalsContact O-CG 3.3Å; V311-L315 WeakPolarHBondContact O-CG 3.4Å; V311-L315 PolarHBondContact O-N 3.16Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 2.62Å; L315-E319 PolarHBondContact O-N 3.39Å |
| 316 | K | 97 | Very high | 97.1 | Very high | 134 Ų | 134 | 68.5 Ų | 68.5 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.9 | -48.7 | 176 | -69.8 | 175.1 | -175.9 | 176.9 | 0 | 112.1 | S312 V313 K314 L318 E319 E320 | S312-K316 WeakPolarHBondContact O-CG 3.45Å; S312-K316 PolarHBondContact O-N 3.27Å; V313-K316 PolarHBondContact O-N 3.44Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 3.31Å; K316-L318 VanDerWaalsContact C-N 3.31Å; K316-L318 PolarHBondContact O-N 2.92Å; K316-E319 PolarHBondContact O-N 2.97Å; K316-E320 PolarHBondContact O-N 2.87Å |
| 317 | F | 97.3 | Very high | 96.9 | Very high | 138 Ų | 138 | 68.4 Ų | 68.4 | 61% | 0.605 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 177.1 | -79.2 | -64.9 | 0 | 0 | 0 | 112.6 | V313 K314 E319 E320 N321 | V313-F317 HydrophobicContact CG1-CD2 3.6Å; V313-F317 HydrophobicContact CG1-CE2 3.38Å; V313-F317 VanDerWaalsContact O-CD2 3.24Å; V313-F317 WeakPolarHBondContact O-CD2 3.38Å; V313-F317 PolarHBondContact O-N 3.5Å; V313-F317 VanDerWaalsContact O-N 3.11Å; K314-F317 PolarHBondContact O-N 3.21Å; F317-E319 VanDerWaalsContact C-N 3.34Å; F317-E320 PolarHBondContact O-N 2.95Å; F317-N321 WeakPolarHBondContact O-CB 3.26Å; F317-N321 PolarHBondContact O-N 3.37Å |
| 318 | L | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 71.2 Ų | 71.2 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.7 | 177.8 | 65.9 | 0 | 0 | 0 | 111.1 | L165 T249 I250 T253 K314 L315 K316 E320 N321 K322 | L165-L318 HydrophobicContact CD1-CD2 3.41Å; L165-L318 VanDerWaalsContact CD1-CD2 3.41Å; L165-L318 HydrophobicContact CD2-CD2 4.03Å; L165-L318 HydrophobicContact CG-CD2 4.37Å; T249-L318 HydrophobicContact CG2-CD1 3.68Å; I250-L318 HydrophobicContact CG1-CD1 3.94Å; I250-L318 HydrophobicContact CG1-CD2 4.18Å; T253-L318 HydrophobicContact CG2-CD2 3.91Å; K314-L318 VanDerWaalsContact O-CB 3.25Å; K314-L318 WeakPolarHBondContact O-CB 3.34Å; K314-L318 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 2.62Å; K316-L318 VanDerWaalsContact C-N 3.31Å; K316-L318 PolarHBondContact O-N 2.92Å; L318-E320 PolarHBondContact O-N 3.04Å; L318-N321 PolarHBondContact O-N 3.46Å; L318-K322 WeakPolarHBondContact O-CB 3.5Å; L318-K322 PolarHBondContact O-N 3.28Å |
| 319 | E | 96.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 66.6 Ų | 66.6 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 179.4 | -173.8 | 57.6 | -151.2 | 0 | 0 | 111.4 | L315 K316 F317 N321 K322 V323 | L315-E319 PolarHBondContact O-N 3.39Å; K316-E319 PolarHBondContact O-N 2.97Å; F317-E319 VanDerWaalsContact C-N 3.34Å; E319-N321 PolarHBondContact O-N 3.31Å; E319-K322 PolarHBondContact O-N 2.96Å; E319-K322 VanDerWaalsContact OE1-CE 3.25Å; E319-K322 WeakPolarHBondContact OE1-CE 3.42Å; E319-K322 IonicContact OE1-NZ 3.69Å; E319-K322 PolarHBondContact OE1-NZ 3.36Å; E319-K322 VanDerWaalsContact OE2-CE 3.32Å; E319-K322 WeakPolarHBondContact OE2-CE 3.42Å; E319-K322 IonicContact OE2-NZ 2.73Å; E319-K322 PolarHBondContact OE2-NZ 2.97Å; E319-V323 WeakPolarHBondContact O-CG2 3.38Å; E319-V323 PolarHBondContact O-N 3Å |
| 320 | E | 94.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 176.2 | -68.3 | -176.9 | -165.5 | 0 | 0 | 112.5 | K316 F317 L318 K324 | K316-E320 PolarHBondContact O-N 2.87Å; F317-E320 PolarHBondContact O-N 2.95Å; L318-E320 PolarHBondContact O-N 3.04Å; E320-K324 WeakPolarHBondContact O-CD 3.45Å; E320-K324 VanDerWaalsContact O-CG 3.28Å; E320-K324 WeakPolarHBondContact O-CG 3.44Å; E320-K324 PolarHBondContact O-N 3.28Å; E320-K324 VanDerWaalsContact O-N 3.17Å |
| 321 | N | 94.3 | Very high | 96.5 | Very high | 64 Ų | 64 | 66.7 Ų | 66.7 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 178.8 | -178.5 | -97.3 | 0 | 0 | 0 | 111.4 | F317 L318 E319 V323 K324 V325 | F317-N321 WeakPolarHBondContact O-CB 3.26Å; F317-N321 PolarHBondContact O-N 3.37Å; L318-N321 PolarHBondContact O-N 3.46Å; E319-N321 PolarHBondContact O-N 3.31Å; N321-V323 PolarHBondContact O-N 2.85Å; N321-K324 PolarHBondContact O-N 2.99Å; N321-V325 WeakPolarHBondContact O-CG2 3.48Å; N321-V325 PolarHBondContact O-N 2.82Å |
| 322 | K | 96.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 10% | 0.104 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.8 | -50.1 | 178.5 | -179 | -157.5 | 78.2 | -178.9 | 0 | 110.9 | Y172 L245 L318 E319 K324 V325 L326 | Y172-K322 HydrophobicContact CE2-CD 3.94Å; Y172-K322 HydrophobicContact CE2-CG 4.15Å; Y172-K322 WeakPolarHBondContact OH-CD 3.35Å; L245-K322 HydrophobicContact CD1-CB 4.33Å; L245-K322 HydrophobicContact CD2-CG 4.28Å; L318-K322 WeakPolarHBondContact O-CB 3.5Å; L318-K322 PolarHBondContact O-N 3.28Å; E319-K322 PolarHBondContact O-N 2.96Å; E319-K322 VanDerWaalsContact OE1-CE 3.25Å; E319-K322 WeakPolarHBondContact OE1-CE 3.42Å; E319-K322 IonicContact OE1-NZ 3.69Å; E319-K322 PolarHBondContact OE1-NZ 3.36Å; E319-K322 VanDerWaalsContact OE2-CE 3.32Å; E319-K322 WeakPolarHBondContact OE2-CE 3.42Å; E319-K322 IonicContact OE2-NZ 2.73Å; E319-K322 PolarHBondContact OE2-NZ 2.97Å; K322-K324 PolarHBondContact O-N 3.44Å; K322-V325 PolarHBondContact O-N 3.31Å; K322-L326 HydrophobicContact CG-CD1 3.85Å; K322-L326 HydrophobicContact CG-CG 4.46Å; K322-L326 WeakPolarHBondContact O-CB 3.22Å; K322-L326 WeakPolarHBondContact O-CG 3.37Å; K322-L326 PolarHBondContact O-N 3.29Å |
| 323 | V | 96.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 179 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | E319 N321 H327 | E319-V323 WeakPolarHBondContact O-CG2 3.38Å; E319-V323 PolarHBondContact O-N 3Å; N321-V323 PolarHBondContact O-N 2.85Å; V323-H327 WeakPolarHBondContact O-CB 3.38Å; V323-H327 PolarHBondContact O-N 3.46Å |
| 324 | K | 95.3 | Very high | 96.3 | Very high | 137 Ų | 137 | 74 Ų | 74 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.7 | -48.6 | 179.1 | -71.8 | 168.6 | -175.7 | 166.9 | 0 | 112.2 | E320 N321 K322 N328 | E320-K324 WeakPolarHBondContact O-CD 3.45Å; E320-K324 VanDerWaalsContact O-CG 3.28Å; E320-K324 WeakPolarHBondContact O-CG 3.44Å; E320-K324 PolarHBondContact O-N 3.28Å; E320-K324 VanDerWaalsContact O-N 3.17Å; N321-K324 PolarHBondContact O-N 2.99Å; K322-K324 PolarHBondContact O-N 3.44Å; K324-N328 PolarHBondContact O-N 3.24Å |
| 325 | V | 94.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 75.1 Ų | 75.1 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -52.2 | -179.5 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L245 N321 K322 H327 N328 Q329 | L245-V325 HydrophobicContact CB-CG1 4.39Å; L245-V325 HydrophobicContact CD2-CG1 4.23Å; N321-V325 WeakPolarHBondContact O-CG2 3.48Å; N321-V325 PolarHBondContact O-N 2.82Å; K322-V325 PolarHBondContact O-N 3.31Å; V325-H327 PolarHBondContact O-N 3.12Å; V325-N328 PolarHBondContact O-N 3.4Å; V325-Q329 HydrophobicContact CG1-CG 4.06Å; V325-Q329 WeakPolarHBondContact O-CB 3.45Å; V325-Q329 WeakPolarHBondContact O-CG 3.31Å; V325-Q329 PolarHBondContact O-N 3.24Å |
| 326 | L | 94.9 | Very high | 96.1 | Very high | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.12 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | -176.8 | -71.5 | 179 | 0 | 0 | 0 | 112.4 | Y172 L245 K322 N328 Q329 L330 | Y172-L326 HydrophobicContact CE1-CD1 3.79Å; Y172-L326 HydrophobicContact CE2-CD1 3.99Å; Y172-L326 VanDerWaalsContact CZ-CD1 3.47Å; Y172-L326 WeakPolarHBondContact OH-CD1 3.46Å; L245-L326 HydrophobicContact CD2-CD1 4.23Å; L245-L326 HydrophobicContact CD2-CD2 3.75Å; L245-L326 HydrophobicContact CD2-CG 3.7Å; K322-L326 HydrophobicContact CG-CD1 3.85Å; K322-L326 HydrophobicContact CG-CG 4.46Å; K322-L326 WeakPolarHBondContact O-CB 3.22Å; K322-L326 WeakPolarHBondContact O-CG 3.37Å; K322-L326 PolarHBondContact O-N 3.29Å; L326-N328 PolarHBondContact O-N 3.04Å; L326-Q329 PolarHBondContact O-N 3.1Å; L326-L330 HydrophobicContact CB-CD1 4.35Å; L326-L330 WeakPolarHBondContact O-CB 3.35Å; L326-L330 WeakPolarHBondContact O-CD1 3.46Å; L326-L330 WeakPolarHBondContact O-CG 3.32Å; L326-L330 PolarHBondContact O-N 3.15Å |
| 327 | H | 95.7 | Very high | 96 | Very high | 134 Ų | 134 | 71 Ų | 71 | 62% | 0.62 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55.8 | -52.1 | 175.8 | 178.8 | 74.6 | 0 | 0 | 0 | 111.2 | V323 V325 V331 | V323-H327 WeakPolarHBondContact O-CB 3.38Å; V323-H327 PolarHBondContact O-N 3.46Å; V325-H327 PolarHBondContact O-N 3.12Å; H327-V331 VanDerWaalsContact O-CG2 3.27Å; H327-V331 WeakPolarHBondContact O-CG2 3.18Å; H327-V331 PolarHBondContact O-N 3.39Å |
| 328 | N | 94.3 | Very high | 96 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 180 | -172.5 | 44 | 0 | 0 | 0 | 112 | K324 V325 L326 V331 L332 | K324-N328 PolarHBondContact O-N 3.24Å; V325-N328 PolarHBondContact O-N 3.4Å; L326-N328 PolarHBondContact O-N 3.04Å; N328-V331 PolarHBondContact O-N 3.44Å; N328-L332 WeakPolarHBondContact O-CG 2.93Å; N328-L332 PolarHBondContact O-N 3.49Å |
| 329 | Q | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.2 | -38.4 | -175.3 | -65.6 | -56.4 | -40.4 | 0 | 0 | 112.8 | F238 S241 V325 L326 F333 | F238-Q329 HydrophobicContact CD2-CB 3.85Å; F238-Q329 WeakPolarHBondContact CD2-O 3.24Å; F238-Q329 HydrophobicContact CE2-CB 4.03Å; S241-Q329 PolarHBondContact OG-NE2 3.49Å; S241-Q329 PolarHBondContact OG-OE1 3.01Å; V325-Q329 HydrophobicContact CG1-CG 4.06Å; V325-Q329 WeakPolarHBondContact O-CB 3.45Å; V325-Q329 WeakPolarHBondContact O-CG 3.31Å; V325-Q329 PolarHBondContact O-N 3.24Å; L326-Q329 PolarHBondContact O-N 3.1Å; Q329-F333 VanDerWaalsContact O-CB 3.27Å; Q329-F333 WeakPolarHBondContact O-CB 3.27Å; Q329-F333 PolarHBondContact O-N 2.86Å |
| 330 | L | 97.1 | Very high | 95.7 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.2 | -69.9 | 171.2 | 0 | 0 | 0 | 111.7 | F238 L326 H334 | F238-L330 HydrophobicContact CE2-CD2 4.29Å; L326-L330 HydrophobicContact CB-CD1 4.35Å; L326-L330 WeakPolarHBondContact O-CB 3.35Å; L326-L330 WeakPolarHBondContact O-CD1 3.46Å; L326-L330 WeakPolarHBondContact O-CG 3.32Å; L326-L330 PolarHBondContact O-N 3.15Å; L330-H334 WeakPolarHBondContact O-CB 3.48Å; L330-H334 PolarHBondContact O-N 2.97Å |
| 331 | V | 96.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 37% | 0.37 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | H327 N328 F333 H334 N335 | H327-V331 VanDerWaalsContact O-CG2 3.27Å; H327-V331 WeakPolarHBondContact O-CG2 3.18Å; H327-V331 PolarHBondContact O-N 3.39Å; N328-V331 PolarHBondContact O-N 3.44Å; V331-F333 VanDerWaalsContact C-N 3.33Å; V331-F333 PolarHBondContact O-N 2.65Å; V331-H334 PolarHBondContact O-N 2.91Å; V331-N335 WeakPolarHBondContact O-CB 3.41Å; V331-N335 PolarHBondContact O-N 3.23Å |
| 332 | L | 95 | Very high | 95.4 | Very high | 73 Ų | 73 | 66.5 Ų | 66.5 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.1 | -70.9 | 175.3 | 0 | 0 | 0 | 112.1 | F237 N328 N335 A336 | F237-L332 HydrophobicContact CE1-CD1 4.08Å; N328-L332 WeakPolarHBondContact O-CG 2.93Å; N328-L332 PolarHBondContact O-N 3.49Å; L332-N335 PolarHBondContact O-N 3.09Å; L332-A336 WeakPolarHBondContact O-CB 3.26Å; L332-A336 PolarHBondContact O-N 3.47Å |
| 333 | F | 97 | Very high | 95 | Very high | 51 Ų | 51 | 67.6 Ų | 67.6 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 176.7 | -176.7 | -93.7 | 0 | 0 | 0 | 111.6 | L182 I235 F238 Q329 V331 N335 A336 I337 | L182-F333 HydrophobicContact CD2-CZ 4.06Å; I235-F333 HydrophobicContact CG1-CE2 3.94Å; I235-F333 HydrophobicContact CG2-CE2 4.39Å; F238-F333 HydrophobicContact CB-CD2 3.93Å; F238-F333 AromaticContact CD1-CD2 3.84Å; F238-F333 HydrophobicContact CD1-CD2 3.84Å; F238-F333 HydrophobicContact CD1-CE2 4.19Å; F238-F333 HydrophobicContact CD2-CB 3.76Å; F238-F333 HydrophobicContact CD2-CD2 4.09Å; F238-F333 HydrophobicContact CD2-CG 4.17Å; F238-F333 HydrophobicContact CE1-CD2 4.37Å; F238-F333 HydrophobicContact CE2-CB 4.15Å; F238-F333 HydrophobicContact CE2-CG 4.44Å; F238-F333 HydrophobicContact CG-CB 4.19Å; F238-F333 AromaticContact CG-CD2 3.68Å; F238-F333 HydrophobicContact CG-CD2 3.68Å; F238-F333 HydrophobicContact CG-CE2 4.47Å; F238-F333 HydrophobicContact CG-CG 4.23Å; Q329-F333 VanDerWaalsContact O-CB 3.27Å; Q329-F333 WeakPolarHBondContact O-CB 3.27Å; Q329-F333 PolarHBondContact O-N 2.86Å; V331-F333 VanDerWaalsContact C-N 3.33Å; V331-F333 PolarHBondContact O-N 2.65Å; F333-N335 PolarHBondContact O-N 3.43Å; F333-A336 PolarHBondContact O-N 3.24Å; F333-I337 HydrophobicContact CD1-CG1 4.33Å; F333-I337 HydrophobicContact CE1-CG1 4.03Å; F333-I337 HydrophobicContact CZ-CD1 4.31Å; F333-I337 HydrophobicContact CZ-CG1 4.22Å; F333-I337 VanDerWaalsContact O-CG1 3.27Å; F333-I337 WeakPolarHBondContact O-CG1 3.42Å; F333-I337 PolarHBondContact O-N 3.26Å; F333-I337 VanDerWaalsContact O-N 3.11Å |
| 334 | H | 97 | Very high | 94.6 | Very high | 120 Ų | 120 | 64.5 Ų | 64.5 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.1 | -48.6 | 176.8 | 170.8 | 70.9 | 0 | 0 | 0 | 112 | L330 V331 A336 I337 A338 | L330-H334 WeakPolarHBondContact O-CB 3.48Å; L330-H334 PolarHBondContact O-N 2.97Å; V331-H334 PolarHBondContact O-N 2.91Å; H334-A336 VanDerWaalsContact C-N 3.32Å; H334-A336 PolarHBondContact O-N 3.1Å; H334-I337 PolarHBondContact O-N 3.47Å; H334-A338 WeakPolarHBondContact O-CB 3.43Å; H334-A338 PolarHBondContact O-N 3.44Å |
| 335 | N | 96.1 | Very high | 94.2 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | -178.9 | -72.7 | -9.2 | 0 | 0 | 0 | 111.8 | V331 L332 F333 A338 A339 | V331-N335 WeakPolarHBondContact O-CB 3.41Å; V331-N335 PolarHBondContact O-N 3.23Å; L332-N335 PolarHBondContact O-N 3.09Å; F333-N335 PolarHBondContact O-N 3.43Å; N335-A338 PolarHBondContact O-N 3.19Å; N335-A339 WeakPolarHBondContact O-CB 3.49Å; N335-A339 PolarHBondContact O-N 2.86Å |
| 336 | A | 96.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 68.7 Ų | 68.7 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L231 A234 L332 F333 H334 A339 Y340 | L231-A336 HydrophobicContact CD1-CB 4.07Å; A234-A336 HydrophobicContact CB-CB 3.46Å; A234-A336 VanDerWaalsContact CB-CB 3.46Å; L332-A336 WeakPolarHBondContact O-CB 3.26Å; L332-A336 PolarHBondContact O-N 3.47Å; F333-A336 PolarHBondContact O-N 3.24Å; H334-A336 VanDerWaalsContact C-N 3.32Å; H334-A336 PolarHBondContact O-N 3.1Å; A336-A339 PolarHBondContact O-N 3.1Å; A336-Y340 WeakPolarHBondContact O-CB 3.32Å; A336-Y340 PolarHBondContact O-N 3.38Å |
| 337 | I | 96.1 | Very high | 92.3 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 177.1 | -65.7 | -76.2 | 0 | 0 | 0 | 110.4 | L231 I235 F333 H334 A339 Y340 F341 | L231-I337 HydrophobicContact CD1-CD1 3.78Å; L231-I337 HydrophobicContact CD1-CG1 4.26Å; L231-I337 HydrophobicContact CD2-CD1 4.13Å; L231-I337 HydrophobicContact CG-CD1 4.49Å; I235-I337 HydrophobicContact CD1-CD1 4.37Å; F333-I337 HydrophobicContact CD1-CG1 4.33Å; F333-I337 HydrophobicContact CE1-CG1 4.03Å; F333-I337 HydrophobicContact CZ-CD1 4.31Å; F333-I337 HydrophobicContact CZ-CG1 4.22Å; F333-I337 VanDerWaalsContact O-CG1 3.27Å; F333-I337 WeakPolarHBondContact O-CG1 3.42Å; F333-I337 PolarHBondContact O-N 3.26Å; F333-I337 VanDerWaalsContact O-N 3.11Å; H334-I337 PolarHBondContact O-N 3.47Å; I337-A339 PolarHBondContact O-N 2.85Å; I337-Y340 PolarHBondContact O-N 3.03Å; I337-F341 HydrophobicContact CG2-CD2 3.96Å; I337-F341 HydrophobicContact CG2-CE2 3.91Å; I337-F341 VanDerWaalsContact O-CD2 3.26Å; I337-F341 WeakPolarHBondContact O-CD2 3.28Å; I337-F341 PolarHBondContact O-N 3.19Å |
| 338 | A | 95.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H334 N335 Y340 F341 A342 | H334-A338 WeakPolarHBondContact O-CB 3.43Å; H334-A338 PolarHBondContact O-N 3.44Å; N335-A338 PolarHBondContact O-N 3.19Å; A338-Y340 PolarHBondContact O-N 3.25Å; A338-F341 PolarHBondContact O-N 2.68Å; A338-A342 VanDerWaalsContact O-CB 3.23Å; A338-A342 WeakPolarHBondContact O-CB 3.45Å; A338-A342 PolarHBondContact O-N 3.01Å |
| 339 | A | 93.6 | Very high | 90.7 | Very high | 63 Ų | 63 | 69.4 Ų | 69.4 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N335 A336 I337 G343 | N335-A339 WeakPolarHBondContact O-CB 3.49Å; N335-A339 PolarHBondContact O-N 2.86Å; A336-A339 PolarHBondContact O-N 3.1Å; I337-A339 PolarHBondContact O-N 2.85Å; A339-G343 WeakPolarHBondContact O-CA 3.19Å; A339-G343 PolarHBondContact O-N 2.88Å |
| 340 | Y | 94.9 | Very high | 89.6 | Confident | 24 Ų | 24 | 74 Ų | 74 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.6 | -51.6 | 175.1 | 173.4 | -102.5 | 0 | 0 | 0 | 111.4 | N227 L231 A336 I337 A338 N344 | N227-Y340 HydrophobicContact CB-CD2 3.97Å; N227-Y340 HydrophobicContact CB-CE2 3.96Å; L231-Y340 HydrophobicContact CB-CD2 3.98Å; L231-Y340 HydrophobicContact CB-CG 4.2Å; L231-Y340 HydrophobicContact CD2-CD1 3.71Å; L231-Y340 HydrophobicContact CD2-CD2 4.04Å; L231-Y340 HydrophobicContact CD2-CE1 4.21Å; L231-Y340 HydrophobicContact CD2-CG 3.6Å; L231-Y340 HydrophobicContact CG-CG 4.41Å; A336-Y340 WeakPolarHBondContact O-CB 3.32Å; A336-Y340 PolarHBondContact O-N 3.38Å; I337-Y340 PolarHBondContact O-N 3.03Å; A338-Y340 PolarHBondContact O-N 3.25Å; Y340-N344 VanDerWaalsContact CE2-ND2 3.26Å; Y340-N344 WeakPolarHBondContact CE2-ND2 3.42Å; Y340-N344 VanDerWaalsContact CZ-ND2 3.32Å; Y340-N344 PolarHBondContact O-N 2.97Å; Y340-N344 PolarHBondContact O-ND2 2.89Å |
| 341 | F | 93.3 | Very high | 88.3 | Confident | 131 Ų | 131 | 71 Ų | 71 | 58% | 0.575 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.3 | -42 | -178.9 | -73.7 | -69 | 0 | 0 | 0 | 112.6 | I337 A338 N344 Q345 | I337-F341 HydrophobicContact CG2-CD2 3.96Å; I337-F341 HydrophobicContact CG2-CE2 3.91Å; I337-F341 VanDerWaalsContact O-CD2 3.26Å; I337-F341 WeakPolarHBondContact O-CD2 3.28Å; I337-F341 PolarHBondContact O-N 3.19Å; A338-F341 PolarHBondContact O-N 2.68Å; F341-N344 PolarHBondContact O-N 2.84Å; F341-Q345 PolarHBondContact O-N 3.4Å |
| 342 | A | 90.6 | Very high | 87.1 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A338 N344 Q345 | A338-A342 VanDerWaalsContact O-CB 3.23Å; A338-A342 WeakPolarHBondContact O-CB 3.45Å; A338-A342 PolarHBondContact O-N 3.01Å; A342-N344 PolarHBondContact O-N 3.42Å; A342-Q345 WeakPolarHBondContact O-CB 3.32Å; A342-Q345 PolarHBondContact O-N 2.97Å |
| 343 | G | 88 | Confident | 85.9 | Confident | 48 Ų | 48 | 74.2 Ų | 74.2 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -30.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A339 | A339-G343 WeakPolarHBondContact O-CA 3.19Å; A339-G343 PolarHBondContact O-N 2.88Å |
| 344 | N | 87.7 | Confident | 84.3 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 8% | 0.08 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -87.6 | -19 | 177.6 | -65.6 | -30.9 | 0 | 0 | 0 | 113.6 | L224 N227 Y340 F341 A342 K346 Q347 L348 | L224-N344 HydrophobicContact CD2-CB 3.97Å; L224-N344 VanDerWaalsContact CD2-CG 3.49Å; N227-N344 PolarHBondContact ND2-OD1 3.29Å; Y340-N344 VanDerWaalsContact CE2-ND2 3.26Å; Y340-N344 WeakPolarHBondContact CE2-ND2 3.42Å; Y340-N344 VanDerWaalsContact CZ-ND2 3.32Å; Y340-N344 PolarHBondContact O-N 2.97Å; Y340-N344 PolarHBondContact O-ND2 2.89Å; F341-N344 PolarHBondContact O-N 2.84Å; A342-N344 PolarHBondContact O-N 3.42Å; N344-K346 PolarHBondContact O-N 3.09Å; N344-Q347 PolarHBondContact O-N 3.15Å; N344-L348 PolarHBondContact O-N 3.5Å |
| 345 | Q | 86.1 | Confident | 82.6 | Confident | 102 Ų | 102 | 77.2 Ų | 77.2 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | -174.9 | -178.6 | 178.2 | -8.3 | 0 | 0 | 113 | F341 A342 Q347 L348 E349 | F341-Q345 PolarHBondContact O-N 3.4Å; A342-Q345 WeakPolarHBondContact O-CB 3.32Å; A342-Q345 PolarHBondContact O-N 2.97Å; Q345-Q347 VanDerWaalsContact C-N 3.31Å; Q345-Q347 PolarHBondContact O-N 3.24Å; Q345-L348 PolarHBondContact O-N 2.89Å; Q345-E349 HydrophobicContact CG-CG 4.34Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.25Å; Q345-E349 PolarHBondContact NE2-OE1 3.47Å; Q345-E349 WeakPolarHBondContact O-CG 3.46Å; Q345-E349 PolarHBondContact O-N 3.06Å |
| 346 | K | 77.4 | Confident | 80.8 | Confident | 161 Ų | 161 | 81.5 Ų | 81.5 | 70% | 0.7 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.8 | -40.9 | -177.3 | -72.3 | -175.4 | 177.7 | 180 | 0 | 112.5 | N344 Q350 | N344-K346 PolarHBondContact O-N 3.09Å; K346-Q350 WeakPolarHBondContact O-CG 3.41Å; K346-Q350 PolarHBondContact O-N 3.01Å |
| 347 | Q | 73.6 | Confident | 78.9 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 178.7 | -168.5 | 63.8 | 31.1 | 0 | 0 | 110.7 | L223 N344 Q345 E349 Q350 T351 | L223-Q347 HydrophobicContact CD2-CB 4.16Å; L223-Q347 HydrophobicContact CD2-CG 4.15Å; N344-Q347 PolarHBondContact O-N 3.15Å; Q345-Q347 VanDerWaalsContact C-N 3.31Å; Q345-Q347 PolarHBondContact O-N 3.24Å; Q347-E349 VanDerWaalsContact C-N 3.32Å; Q347-E349 PolarHBondContact O-N 3.32Å; Q347-Q350 WeakPolarHBondContact O-CB 3.43Å; Q347-Q350 PolarHBondContact O-N 2.99Å; Q347-T351 PolarHBondContact O-N 2.78Å; Q347-T351 PolarHBondContact O-OG1 3.49Å; Q347-T351 VanDerWaalsContact O-OG1 3.09Å |
| 348 | L | 76.8 | Confident | 76.7 | Confident | 106 Ų | 106 | 92.2 Ų | 92.2 | 56% | 0.555 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.9 | -42.7 | 177.4 | -175.7 | 63.2 | 0 | 0 | 0 | 111.8 | N344 Q345 Q350 T351 L352 | N344-L348 PolarHBondContact O-N 3.5Å; Q345-L348 PolarHBondContact O-N 2.89Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-Q350 PolarHBondContact O-N 3.06Å; L348-T351 PolarHBondContact O-N 3.04Å; L348-L352 HydrophobicContact CD1-CD1 4.38Å; L348-L352 HydrophobicContact CD1-CG 4.46Å; L348-L352 HydrophobicContact CG-CD1 3.97Å; L348-L352 HydrophobicContact CG-CG 4.5Å; L348-L352 WeakPolarHBondContact O-CB 3.35Å; L348-L352 VanDerWaalsContact O-CG 3.26Å; L348-L352 WeakPolarHBondContact O-CG 3.37Å; L348-L352 PolarHBondContact O-N 3.32Å |
| 349 | E | 79.4 | Confident | 74.6 | Confident | 85 Ų | 85 | 96.1 Ų | 96.1 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 176.2 | -74.5 | 176.8 | -171.1 | 0 | 0 | 112.9 | Q345 Q347 K353 | Q345-E349 HydrophobicContact CG-CG 4.34Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.25Å; Q345-E349 PolarHBondContact NE2-OE1 3.47Å; Q345-E349 WeakPolarHBondContact O-CG 3.46Å; Q345-E349 PolarHBondContact O-N 3.06Å; Q347-E349 VanDerWaalsContact C-N 3.32Å; Q347-E349 PolarHBondContact O-N 3.32Å; E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 3.29Å |
| 350 | Q | 73.5 | Confident | 72.4 | Confident | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 175 | -73.3 | 175.7 | -8 | 0 | 0 | 111.3 | K346 Q347 L348 K353 Q354 | K346-Q350 WeakPolarHBondContact O-CG 3.41Å; K346-Q350 PolarHBondContact O-N 3.01Å; Q347-Q350 WeakPolarHBondContact O-CB 3.43Å; Q347-Q350 PolarHBondContact O-N 2.99Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-Q350 PolarHBondContact O-N 3.06Å; Q350-K353 PolarHBondContact O-N 2.91Å; Q350-Q354 PolarHBondContact O-N 3.13Å |
| 351 | T | 70.1 | Confident | 70.3 | Confident | 31 Ų | 31 | 104.5 Ų | 104.5 | 19% | 0.19 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | Q347 L348 K353 Q354 F355 | Q347-T351 PolarHBondContact O-N 2.78Å; Q347-T351 PolarHBondContact O-OG1 3.49Å; Q347-T351 VanDerWaalsContact O-OG1 3.09Å; L348-T351 PolarHBondContact O-N 3.04Å; T351-K353 VanDerWaalsContact C-N 3.3Å; T351-K353 PolarHBondContact O-N 3.42Å; T351-Q354 WeakPolarHBondContact O-CB 3.48Å; T351-Q354 PolarHBondContact O-N 3.46Å; T351-Q354 VanDerWaalsContact O-N 3.12Å; T351-F355 HydrophobicContact CG2-CD2 3.91Å; T351-F355 HydrophobicContact CG2-CE2 3.51Å; T351-F355 WeakPolarHBondContact O-CD2 3.38Å; T351-F355 PolarHBondContact O-N 3.02Å |
| 352 | L | 70.4 | Confident | 67.9 | Low | 44 Ų | 44 | 104.7 Ų | 104.7 | 23% | 0.23 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -63.9 | -32.9 | -179.5 | -75.2 | 167 | 0 | 0 | 0 | 113.4 | L348 Q354 F355 I357 L359 | L348-L352 HydrophobicContact CD1-CD1 4.38Å; L348-L352 HydrophobicContact CD1-CG 4.46Å; L348-L352 HydrophobicContact CG-CD1 3.97Å; L348-L352 HydrophobicContact CG-CG 4.5Å; L348-L352 WeakPolarHBondContact O-CB 3.35Å; L348-L352 VanDerWaalsContact O-CG 3.26Å; L348-L352 WeakPolarHBondContact O-CG 3.37Å; L348-L352 PolarHBondContact O-N 3.32Å; L352-Q354 VanDerWaalsContact C-N 3.3Å; L352-Q354 PolarHBondContact O-N 2.9Å; L352-F355 PolarHBondContact O-N 3.22Å; L352-I357 HydrophobicContact CD2-CB 4.35Å; L352-I357 HydrophobicContact CD2-CD1 4.39Å; L352-I357 HydrophobicContact CD2-CG2 4.41Å; L352-L359 HydrophobicContact CD1-CD1 3.48Å; L352-L359 VanDerWaalsContact CD1-CD1 3.48Å; L352-L359 HydrophobicContact CD2-CD1 3.94Å; L352-L359 HydrophobicContact CG-CD1 4.29Å |
| 353 | K | 69.5 | Low | 66.4 | Low | 156 Ų | 156 | 105.8 Ų | 105.8 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -35.3 | 174.5 | -74.9 | 171.7 | -174.9 | 176.2 | 0 | 112.2 | E349 Q350 T351 H356 | E349-K353 WeakPolarHBondContact O-CG 3.46Å; E349-K353 PolarHBondContact O-N 3.29Å; Q350-K353 PolarHBondContact O-N 2.91Å; T351-K353 VanDerWaalsContact C-N 3.3Å; T351-K353 PolarHBondContact O-N 3.42Å; K353-H356 PolarHBondContact O-N 3.23Å |
| 354 | Q | 64.9 | Low | 64.9 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.3 | -34 | 177.8 | -68.3 | 177.5 | -26.1 | 0 | 0 | 112.2 | Q350 T351 L352 H356 | Q350-Q354 PolarHBondContact O-N 3.13Å; T351-Q354 WeakPolarHBondContact O-CB 3.48Å; T351-Q354 PolarHBondContact O-N 3.46Å; T351-Q354 VanDerWaalsContact O-N 3.12Å; L352-Q354 VanDerWaalsContact C-N 3.3Å; L352-Q354 PolarHBondContact O-N 2.9Å; Q354-H356 VanDerWaalsContact C-N 3.27Å; Q354-H356 PolarHBondContact O-N 3.26Å |
| 355 | F | 61.5 | Low | 63.2 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 0.8 | 179.3 | -71.6 | -69.2 | 0 | 0 | 0 | 114.8 | T351 L352 I357 | T351-F355 HydrophobicContact CG2-CD2 3.91Å; T351-F355 HydrophobicContact CG2-CE2 3.51Å; T351-F355 WeakPolarHBondContact O-CD2 3.38Å; T351-F355 PolarHBondContact O-N 3.02Å; L352-F355 PolarHBondContact O-N 3.22Å; F355-I357 HydrophobicContact CB-CB 4.46Å; F355-I357 HydrophobicContact CB-CD1 3.53Å; F355-I357 HydrophobicContact CB-CG1 3.67Å; F355-I357 HydrophobicContact CG-CD1 4.2Å; F355-I357 PolarHBondContact O-N 2.8Å |
| 356 | H | 56.8 | Low | 61.5 | Low | 176 Ų | 176 | 112.6 Ų | 112.6 | 82% | 0.815 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 25.5 | -170.7 | -63.8 | 89 | 0 | 0 | 0 | 113.7 | K353 Q354 K358 | K353-H356 PolarHBondContact O-N 3.23Å; Q354-H356 VanDerWaalsContact C-N 3.27Å; Q354-H356 PolarHBondContact O-N 3.26Å; H356-K358 PolarHBondContact O-N 2.99Å; H356-K358 VanDerWaalsContact O-N 3.15Å |
| 357 | I | 56.7 | Low | 60.4 | Low | 94 Ų | 94 | 110.5 Ų | 110.5 | 48% | 0.482 | 59% | 0.594 | S | S | . | * | trans | -81 | 101.4 | -179.9 | -64.6 | 168.6 | 0 | 0 | 0 | 107.9 | L352 F355 L359 | L352-I357 HydrophobicContact CD2-CB 4.35Å; L352-I357 HydrophobicContact CD2-CD1 4.39Å; L352-I357 HydrophobicContact CD2-CG2 4.41Å; F355-I357 HydrophobicContact CB-CB 4.46Å; F355-I357 HydrophobicContact CB-CD1 3.53Å; F355-I357 HydrophobicContact CB-CG1 3.67Å; F355-I357 HydrophobicContact CG-CD1 4.2Å; F355-I357 PolarHBondContact O-N 2.8Å; I357-L359 PolarHBondContact O-N 3.11Å; I357-L359 VanDerWaalsContact O-N 3.17Å | ||
| 358 | K | 49.7 | Very low | 59.7 | Low | 197 Ų | 197 | 110.6 Ų | 110.6 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | trans | -72.6 | 100.2 | 161.8 | -71 | -173.7 | -179.4 | -178.6 | 0 | 107.8 | H356 K360 | H356-K358 PolarHBondContact O-N 2.99Å; H356-K358 VanDerWaalsContact O-N 3.15Å; K358-K360 PolarHBondContact O-N 2.97Å | ||
| 359 | L | 52.3 | Low | 58.8 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | trans | -61.1 | 104.1 | 166.5 | -92.7 | 126.6 | 0 | 0 | 0 | 108.4 | L352 I357 T361 | L352-L359 HydrophobicContact CD1-CD1 3.48Å; L352-L359 VanDerWaalsContact CD1-CD1 3.48Å; L352-L359 HydrophobicContact CD2-CD1 3.94Å; L352-L359 HydrophobicContact CG-CD1 4.29Å; I357-L359 PolarHBondContact O-N 3.11Å; I357-L359 VanDerWaalsContact O-N 3.17Å; L359-T361 PolarHBondContact O-N 3.1Å | ||
| 360 | K | 48.3 | Very low | 57.7 | Low | 157 Ų | 157 | 117.4 Ų | 117.4 | 68% | 0.683 | 63% | 0.626 | S | S | * | * | trans | -67 | 118.6 | 167.3 | -77.6 | -167.2 | 176.3 | -144.3 | 0 | 108 | K358 D365 | K358-K360 PolarHBondContact O-N 2.97Å; K360-D365 WeakPolarHBondContact CE-OD2 3.34Å; K360-D365 IonicContact NZ-OD2 2.69Å; K360-D365 PolarHBondContact NZ-OD2 2.77Å | ||
| 361 | T | 49.6 | Very low | 56.9 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | trans | -62.8 | 127.4 | 169.8 | -24 | 0 | 0 | 0 | 0 | 108 | L359 G363 | L359-T361 PolarHBondContact O-N 3.1Å; T361-G363 PolarHBondContact O-N 2.73Å | ||
| 362 | P | 43.8 | Very low | 55.9 | Low | 135 Ų | 135 | 127.6 Ų | 127.6 | 88% | 0.877 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 111.3 | 176.5 | -16.2 | 28.4 | 0 | 0 | 0 | 109 | ||
| 363 | G | 57.6 | Low | 54.4 | Low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.9 | 0.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | T361 | T361-G363 PolarHBondContact O-N 2.73Š|
| 364 | V | 56.5 | Low | 53.7 | Low | 112 Ų | 112 | 136.6 Ų | 136.6 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -105.6 | -17.8 | -173.4 | -172.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 365 | D | 52.1 | Low | 53.1 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | trans | -115.6 | 30.3 | -171.8 | -69.8 | -13.1 | 0 | 0 | 0 | 114.7 | K360 | K360-D365 WeakPolarHBondContact CE-OD2 3.34Å; K360-D365 IonicContact NZ-OD2 2.69Å; K360-D365 PolarHBondContact NZ-OD2 2.77Å | ||
| 366 | A | 51.6 | Low | 52.6 | Low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | trans | -99.5 | 109.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | S368 | A366-S368 PolarHBondContact O-N 2.89Š| ||
| 367 | P | 53.1 | Low | 52.4 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -56.7 | 127.9 | 169.7 | -6 | 15.4 | 0 | 0 | 0 | 108 | W369 | P367-W369 PolarHBondContact O-N 2.86Š| ||
| 368 | S | 59.2 | Low | 52.1 | Low | 65 Ų | 65 | 139.2 Ų | 139.2 | 46% | 0.455 | 75% | 0.75 | S | S | . | * | trans | -64.4 | 120.2 | 172.8 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | A366 L370 E371 | A366-S368 PolarHBondContact O-N 2.89Å; S368-L370 PolarHBondContact O-N 3.12Å; S368-E371 PolarHBondContact O-N 2.87Å; S368-E371 VanDerWaalsContact O-N 3.07Å | ||
| 369 | W | 57.8 | Low | 52.3 | Low | 204 Ų | 204 | 135.3 Ų | 135.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -57.1 | -7.8 | 177.8 | 84.6 | -67.6 | 0 | 0 | 0 | 114.2 | P367 | P367-W369 PolarHBondContact O-N 2.86Š|
| 370 | L | 56.3 | Low | 52.3 | Low | 130 Ų | 130 | 136.2 Ų | 136.2 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -84.9 | -3.7 | 177.4 | -89.8 | 150.7 | 0 | 0 | 0 | 114.4 | S368 | S368-L370 PolarHBondContact O-N 3.12Š|
| 371 | E | 58.2 | Low | 52.6 | Low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -90.7 | -0.5 | 174.6 | -70.8 | -176.2 | 169.1 | 0 | 0 | 113.6 | S368 | S368-E371 PolarHBondContact O-N 2.87Å; S368-E371 VanDerWaalsContact O-N 3.07Å |
| 372 | E | 48.4 | Very low | 52.8 | Low | 182 Ų | 182 | 136.9 Ų | 136.9 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -110 | 26 | -176 | -91.4 | -174.3 | 172.9 | 0 | 0 | 115.6 | ||||
| 373 | Q | 39.8 | Very low | 53.7 | Low | 252 Ų | 252 | 137.1 Ų | 137.1 | 100% | 1.178 | 75% | 0.753 | S | S | * | * | trans | -125.2 | 0 | 170.2 | -75.1 | -152.8 | -14.4 | 0 | 0 | 115.1 |
Retrieved 373 of 373 residues in 226.1 ms
(Link to these results)