| 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 | 31.3 | Very low | 26.7 | Very low | 233 Ų | 233 | 145.4 Ų | 145.4 | 100% | 1.148 | 82% | 0.817 | S | S | * | * | 0 | 109.7 | 0 | -163.2 | 172.1 | -167.8 | 0 | 0 | 106.8 | |||||
| 2 | F | 25.7 | Very low | 26.8 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | 37.2 | 113.8 | 161.7 | -71.7 | -91.9 | 0 | 0 | 0 | 120.4 | ||||
| 3 | F | 24.8 | Very low | 26.9 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 79% | 0.789 | 83% | 0.826 | S | S | * | * | 69.5 | 128.2 | 80.1 | -105.8 | -67.3 | 0 | 0 | 0 | 116.7 | |||||
| 4 | L | 25.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 67% | 0.665 | 83% | 0.829 | S | S | * | * | trans | 78 | 118 | 146.4 | -88.5 | 140.3 | 0 | 0 | 0 | 121.6 | ||||
| 5 | L | 26.8 | Very low | 27.4 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | 179.1 | 97.1 | 118.6 | -92.9 | 155 | 0 | 0 | 0 | 107.5 | |||||
| 6 | S | 25.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 145.3 Ų | 145.3 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | 92.7 | 115.2 | 82.2 | -74.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 7 | I | 30 | Very low | 28.8 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -63.2 | 137.8 | 167.7 | -67.5 | 159.9 | 0 | 0 | 0 | 110.5 | ||||
| 8 | Q | 24.1 | Very low | 29.7 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | -174.1 | 132 | 127.3 | -127.2 | 148 | -51.4 | 0 | 0 | 115.8 | |||||
| 9 | A | 25.2 | Very low | 30.4 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | trans | 69.3 | 106.5 | 139 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 10 | A | 24.8 | Very low | 31.1 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | 169.6 | 103.2 | 114.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 11 | G | 30.5 | Very low | 31.8 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | 74.1 | 62.5 | 65.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 12 | N | 27.3 | Very low | 32.2 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 87% | 0.872 | 67% | 0.674 | S | S | * | * | trans | -131 | 118.3 | 168.8 | -94.9 | -14.5 | 0 | 0 | 0 | 110.5 | C14 | N12-C14 PolarHBondContact O-N 3.41Š| ||
| 13 | F | 28.3 | Very low | 32.9 | Very low | 200 Ų | 200 | 117 Ų | 117 | 88% | 0.877 | 66% | 0.657 | S | S | * | * | trans | -39.9 | 122.9 | 173.9 | -89.9 | -111.6 | 0 | 0 | 0 | 112.8 | Q15 | F13-Q15 PolarHBondContact O-N 3.24Š| ||
| 14 | C | 31.2 | Very low | 33.7 | Very low | 128 Ų | 128 | 113.3 Ų | 113.3 | 87% | 0.865 | 64% | 0.644 | S | S | * | * | trans | -77.3 | 112.2 | 159.3 | -151.7 | 0 | 0 | 0 | 0 | 106.8 | N12 A16 | N12-C14 PolarHBondContact O-N 3.41Å; C14-A16 PolarHBondContact O-N 2.75Å; C14-A16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | Q | 31 | Very low | 34.4 | Very low | 180 Ų | 180 | 114 Ų | 114 | 84% | 0.841 | 65% | 0.648 | S | S | * | * | trans | -63.2 | 110.1 | 173.2 | -77.2 | 175.4 | -42.7 | 0 | 0 | 109 | F13 S17 | F13-Q15 PolarHBondContact O-N 3.24Å; Q15-S17 PolarHBondContact O-N 3.44Å | ||
| 16 | A | 35.4 | Very low | 34.9 | Very low | 54 Ų | 54 | 114.4 Ų | 114.4 | 45% | 0.446 | 65% | 0.645 | S | S | . | * | trans | -62.5 | 125 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | C14 E21 | C14-A16 PolarHBondContact O-N 2.75Å; C14-A16 VanDerWaalsContact O-N 3.14Å; A16-E21 WeakPolarHBondContact CA-OE2 3.08Å; A16-E21 HydrophobicContact CB-CB 4.38Å | ||
| 17 | S | 42 | Very low | 35.5 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | -105.4 | 0.3 | -168.4 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | Q15 E21 | Q15-S17 PolarHBondContact O-N 3.44Å; S17-E21 PolarHBondContact N-OE2 3.3Å | ||
| 18 | T | 45.9 | Very low | 35.6 | Very low | 42 Ų | 42 | 118.3 Ų | 118.3 | 26% | 0.258 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -142.3 | 148.9 | 175.2 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | T20 E21 | T18-T20 PolarHBondContact O-N 2.78Å; T18-T20 VanDerWaalsContact O-N 3.17Å; T18-E21 PolarHBondContact N-OE2 3.27Å; T18-E21 PolarHBondContact O-N 3.2Å; T18-E21 VanDerWaalsContact O-N 3.12Å |
| 19 | L | 43.4 | Very low | 36.1 | Very low | 37 Ų | 37 | 113.2 Ų | 113.2 | 19% | 0.194 | 65% | 0.648 | C | S | . | * | H | α-helix | trans | -52.7 | -34.4 | 177.1 | -110.5 | 77.9 | 0 | 0 | 0 | 112.4 | E21 R22 V75 C79 A81 V85 | L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 2.96Å; L19-R22 PolarHBondContact O-N 3.3Å; L19-V75 HydrophobicContact CD2-CG1 4.42Å; L19-C79 HydrophobicContact CD2-CB 3.4Å; L19-C79 WeakPolarHBondContact CD2-SG 3.44Å; L19-C79 HydrophobicContact CG-CB 3.84Å; L19-A81 HydrophobicContact CD1-CB 3.8Å; L19-A81 HydrophobicContact CD2-CB 4.17Å; L19-A81 HydrophobicContact CG-CB 4.4Å; L19-V85 HydrophobicContact CD1-CG1 3.92Å |
| 20 | T | 44.4 | Very low | 36.3 | Very low | 45 Ų | 45 | 111.9 Ų | 111.9 | 28% | 0.276 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.6 | -29.3 | -177.4 | -39.3 | 0 | 0 | 0 | 0 | 112.8 | T18 R22 L23 I24 I48 | T18-T20 PolarHBondContact O-N 2.78Å; T18-T20 VanDerWaalsContact O-N 3.17Å; T20-R22 VanDerWaalsContact C-N 3.33Å; T20-R22 PolarHBondContact O-N 3.25Å; T20-L23 PolarHBondContact O-N 3.02Å; T20-I24 HydrophobicContact CG2-CD1 4.41Å; T20-I48 HydrophobicContact CG2-CG2 4.18Å |
| 21 | E | 45 | Very low | 36.6 | Very low | 70 Ų | 70 | 117.4 Ų | 117.4 | 33% | 0.327 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.4 | -32.3 | 178.1 | -77.8 | 177.2 | 147.9 | 0 | 0 | 112.4 | A16 S17 T18 L19 L25 | A16-E21 WeakPolarHBondContact CA-OE2 3.08Å; A16-E21 HydrophobicContact CB-CB 4.38Å; S17-E21 PolarHBondContact N-OE2 3.3Å; T18-E21 PolarHBondContact N-OE2 3.27Å; T18-E21 PolarHBondContact O-N 3.2Å; T18-E21 VanDerWaalsContact O-N 3.12Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 2.96Å; E21-L25 PolarHBondContact O-N 3.01Å |
| 22 | R | 40.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 63% | 0.634 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.7 | -35.6 | 179.8 | -72.3 | -170.9 | -174.8 | -166.4 | 3.4 | 112.7 | L19 T20 | L19-R22 PolarHBondContact O-N 3.3Å; T20-R22 VanDerWaalsContact C-N 3.33Å; T20-R22 PolarHBondContact O-N 3.25Å |
| 23 | L | 40.1 | Very low | 36.8 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 48% | 0.476 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -74 | -23.8 | -179.2 | -76.4 | 162.1 | 0 | 0 | 0 | 113.7 | T20 | T20-L23 PolarHBondContact O-N 3.02Å |
| 24 | I | 41.2 | Very low | 36.8 | Very low | 102 Ų | 102 | 124 Ų | 124 | 52% | 0.523 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -86.6 | -34.2 | -179.1 | -65.3 | 173.4 | 0 | 0 | 0 | 111.4 | T20 E26 R27 | T20-I24 HydrophobicContact CG2-CD1 4.41Å; I24-E26 VanDerWaalsContact C-N 3.29Å; I24-E26 PolarHBondContact O-N 3.23Å; I24-R27 PolarHBondContact O-N 3.45Å |
| 25 | L | 39.3 | Very low | 36.7 | Very low | 140 Ų | 140 | 126.3 Ų | 126.3 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.1 | -26.8 | -178.9 | -99.5 | 148.3 | 0 | 0 | 0 | 113.7 | E21 | E21-L25 PolarHBondContact O-N 3.01Å |
| 26 | E | 37.4 | Very low | 36.6 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -15.6 | 176.8 | -74.5 | -166.1 | 151.7 | 0 | 0 | 114.5 | I24 | I24-E26 VanDerWaalsContact C-N 3.29Å; I24-E26 PolarHBondContact O-N 3.23Å |
| 27 | R | 37.6 | Very low | 37.1 | Very low | 228 Ų | 228 | 126.3 Ų | 126.3 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -15.9 | -175.5 | -84 | -172.7 | 174.5 | -163.4 | 1.3 | 115.7 | I24 G29 | I24-R27 PolarHBondContact O-N 3.45Å; R27-G29 PolarHBondContact O-N 3.32Å |
| 28 | C | 33.6 | Very low | 36.6 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 72% | 0.716 | 67% | 0.674 | S | S | * | * | trans | -103.1 | 65.9 | -174.8 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 29 | G | 33.1 | Very low | 36.1 | Very low | 79 Ų | 79 | 135 Ų | 135 | 81% | 0.814 | 70% | 0.698 | S | S | * | * | trans | -85.6 | 110.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R27 | R27-G29 PolarHBondContact O-N 3.32Š| ||
| 30 | G | 30.6 | Very low | 35.8 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | trans | 98.6 | 116.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 31 | F | 29.7 | Very low | 35.5 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 93% | 0.934 | 74% | 0.738 | S | S | * | * | 172 | 121.3 | 107 | -107 | -91.2 | 0 | 0 | 0 | 109.2 | |||||
| 32 | F | 32.6 | Very low | 35.3 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -119.7 | 115.7 | 179.1 | -143.9 | -90.7 | 0 | 0 | 0 | 108.6 | ||||
| 33 | L | 29.4 | Very low | 35.7 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | trans | -140.4 | 131.7 | 160.4 | -119.9 | 113.7 | 0 | 0 | 0 | 110.3 | ||||
| 34 | R | 29.8 | Very low | 36.2 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 144 | -167.3 | -87.9 | 177.6 | 168.8 | -179.7 | -3.3 | 114.8 | ||||
| 35 | M | 28.1 | Very low | 37.1 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | 139.3 | 109.8 | 105.4 | -112.3 | 173.3 | 80.8 | 0 | 0 | 114.1 | |||||
| 36 | A | 30.2 | Very low | 38.6 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 170.9 | 133.8 | 131.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E38 | A36-E38 PolarHBondContact O-N 2.95Å; A36-E38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | V | 44.4 | Very low | 40.5 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -77.9 | 96.3 | -170.3 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | L39 | V37-L39 HydrophobicContact CG1-CB 4.43Š| ||
| 38 | E | 32.6 | Very low | 42.4 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 86% | 0.864 | 70% | 0.695 | S | S | * | * | trans | -107.2 | 112.4 | 133.6 | -97.3 | -176.3 | 162.5 | 0 | 0 | 105.9 | A36 D40 | A36-E38 PolarHBondContact O-N 2.95Å; A36-E38 VanDerWaalsContact O-N 3.13Å; E38-D40 PolarHBondContact O-N 3.48Å | ||
| 39 | L | 34.4 | Very low | 45 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | -80.1 | 72.4 | 178 | -146.7 | 129.8 | 0 | 0 | 0 | 107.4 | V37 V41 | V37-L39 HydrophobicContact CG1-CB 4.43Å; L39-V41 HydrophobicContact CD2-CB 4.29Å; L39-V41 HydrophobicContact CD2-CG2 3.3Å; L39-V41 HydrophobicContact CG-CG2 3.97Å; L39-V41 PolarHBondContact O-N 2.87Å; L39-V41 VanDerWaalsContact O-N 3.14Å | ||
| 40 | D | 37.1 | Very low | 47.7 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | trans | -81.8 | 80.8 | 165.3 | -158.6 | 7.5 | 0 | 0 | 0 | 107.7 | E38 F42 | E38-D40 PolarHBondContact O-N 3.48Å; D40-F42 PolarHBondContact O-N 3.46Å | ||
| 41 | V | 38.3 | Very low | 50.6 | Low | 99 Ų | 99 | 119 Ų | 119 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | trans | -78.6 | 83.6 | 171.1 | 173.1 | 0 | 0 | 0 | 0 | 107.3 | L39 V43 | L39-V41 HydrophobicContact CD2-CB 4.29Å; L39-V41 HydrophobicContact CD2-CG2 3.3Å; L39-V41 HydrophobicContact CG-CG2 3.97Å; L39-V41 PolarHBondContact O-N 2.87Å; L39-V41 VanDerWaalsContact O-N 3.14Å; V41-V43 HydrophobicContact CG1-CG2 3.82Å; V41-V43 PolarHBondContact O-N 2.9Å | ||
| 42 | F | 41.6 | Very low | 53.5 | Low | 154 Ų | 154 | 115 Ų | 115 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | trans | -83.1 | 91.6 | 162.5 | -129.8 | -90.5 | 0 | 0 | 0 | 108.2 | D40 G44 | D40-F42 PolarHBondContact O-N 3.46Å; F42-G44 PolarHBondContact O-N 3Å | ||
| 43 | V | 49.5 | Very low | 56.5 | Low | 118 Ų | 118 | 106 Ų | 106 | 72% | 0.715 | 56% | 0.563 | S | S | * | * | trans | -78.8 | 76 | 157.7 | -175.5 | 0 | 0 | 0 | 0 | 106.3 | V41 N45 | V41-V43 HydrophobicContact CG1-CG2 3.82Å; V41-V43 PolarHBondContact O-N 2.9Å; V43-N45 PolarHBondContact O-N 3.36Å; V43-N45 VanDerWaalsContact O-N 3.08Å | ||
| 44 | G | 49.4 | Very low | 59.7 | Low | 33 Ų | 33 | 97.9 Ų | 97.9 | 34% | 0.34 | 52% | 0.52 | S | S | . | . | trans | -76.3 | 94.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F42 T46 | F42-G44 PolarHBondContact O-N 3Å; G44-T46 PolarHBondContact O-N 3.06Å | ||
| 45 | N | 60.3 | Low | 62.9 | Low | 138 Ų | 138 | 90.6 Ų | 90.6 | 74% | 0.738 | 50% | 0.495 | S | S | * | . | trans | -65.9 | 74 | 159.8 | -74.6 | -4.4 | 0 | 0 | 0 | 108.1 | V43 T47 | V43-N45 PolarHBondContact O-N 3.36Å; V43-N45 VanDerWaalsContact O-N 3.08Å; N45-T47 PolarHBondContact O-N 2.67Å | ||
| 46 | T | 70.8 | Confident | 66.1 | Low | 73 Ų | 73 | 83.1 Ų | 83.1 | 45% | 0.448 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -57.6 | 126.3 | 172.9 | -63.9 | 0 | 0 | 0 | 0 | 106.8 | G44 I48 Q117 P119 | G44-T46 PolarHBondContact O-N 3.06Å; T46-I48 PolarHBondContact O-N 3.34Å; T46-Q117 WeakPolarHBondContact CA-O 3.46Å; T46-P119 HydrophobicContact CG2-CG 3.96Å |
| 47 | T | 77.7 | Confident | 69.4 | Low | 35 Ų | 35 | 78.6 Ų | 78.6 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | trans | -67.5 | 106.8 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 108.1 | N45 M49 T96 F116 Q117 | N45-T47 PolarHBondContact O-N 2.67Å; T47-M49 HydrophobicContact CG2-CE 3.91Å; T47-M49 HydrophobicContact CG2-CG 4.32Å; T47-M49 PolarHBondContact O-N 3.34Å; T47-T96 HydrophobicContact CG2-CG2 3.89Å; T47-F116 HydrophobicContact CG2-CD1 4.01Å; T47-Q117 PolarHBondContact N-O 3.1Å; T47-Q117 PolarHBondContact OG1-N 3.04Å | ||
| 48 | I | 77.9 | Confident | 71.9 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 35% | 0.349 | 38% | 0.382 | S | S | . | . | trans | -76.9 | 113.3 | -179.9 | -56.5 | 177.9 | 0 | 0 | 0 | 108 | T20 T46 Q93 | T20-I48 HydrophobicContact CG2-CG2 4.18Å; T46-I48 PolarHBondContact O-N 3.34Å; I48-Q93 PolarHBondContact O-NE2 3Å | ||
| 49 | M | 86.6 | Confident | 74.9 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | trans | -114.8 | 121 | 174.8 | -70.3 | -178.6 | -176.3 | 0 | 0 | 109.3 | T47 T96 F97 C100 I118 L126 | T47-M49 HydrophobicContact CG2-CE 3.91Å; T47-M49 HydrophobicContact CG2-CG 4.32Å; T47-M49 PolarHBondContact O-N 3.34Å; M49-T96 HydrophobicContact CE-CG2 3.73Å; M49-F97 HydrophobicContact CB-CE1 3.99Å; M49-F97 HydrophobicContact CG-CD1 4.48Å; M49-F97 HydrophobicContact CG-CE1 3.89Å; M49-F97 HydrophobicContact SD-CD1 4.34Å; M49-F97 HydrophobicContact SD-CE1 4.19Å; M49-C100 HydrophobicContact CE-CB 4.36Å; M49-C100 WeakPolarHBondContact CE-SG 3.31Å; M49-I118 HydrophobicContact CE-CD1 3.79Å; M49-I118 HydrophobicContact SD-CD1 4.49Å; M49-L126 HydrophobicContact CE-CD1 4.44Å; M49-L126 HydrophobicContact SD-CD1 3.52Å; M49-L126 VanDerWaalsContact SD-CD1 3.52Å; M49-L126 HydrophobicContact SD-CD2 3.82Å; M49-L126 HydrophobicContact SD-CG 4.3Å | ||
| 50 | D | 89.9 | Confident | 77.8 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | trans | -75.5 | 124.8 | 174.7 | -175.2 | -52.4 | 0 | 0 | 0 | 109.5 | E52 V53 Y54 R70 | D50-E52 WeakPolarHBondContact OD1-CB 3.24Å; D50-E52 PolarHBondContact OD1-N 3.46Å; D50-V53 HydrophobicContact CB-CB 3.95Å; D50-V53 HydrophobicContact CB-CG2 3.69Å; D50-V53 VanDerWaalsContact CG-CG2 3.43Å; D50-V53 WeakPolarHBondContact OD1-CG2 3.44Å; D50-V53 PolarHBondContact OD1-N 3.39Å; D50-Y54 VanDerWaalsContact O-CB 3.25Å; D50-Y54 WeakPolarHBondContact O-CB 3.32Å; D50-Y54 PolarHBondContact O-N 3.4Å; D50-R70 IonicContact OD2-NH2 2.76Å | ||
| 51 | E | 91.6 | Very high | 80.6 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.3 | -32.5 | -174.7 | -57.9 | -163.3 | 172.8 | 0 | 0 | 113.3 | Q55 R122 M125 R129 | E51-Q55 PolarHBondContact O-N 2.99Å; E51-R122 VanDerWaalsContact CD-NH1 3.34Å; E51-R122 IonicContact OE1-CZ 3.6Å; E51-R122 IonicContact OE1-NE 2.79Å; E51-R122 IonicContact OE1-NH1 2.71Å; E51-R122 PolarHBondContact OE1-NH1 3.44Å; E51-M125 HydrophobicContact CG-CE 3.72Å; E51-M125 HydrophobicContact CG-SD 4.45Å; E51-R129 PolarHBondContact O-NH1 3.38Å; E51-R129 IonicContact OE2-CZ 3.78Å; E51-R129 IonicContact OE2-NH2 2.92Å; E51-R129 PolarHBondContact OE2-NH2 3.42Å |
| 52 | E | 91.8 | Very high | 83.4 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -75 | -43.9 | 179.5 | -62.4 | -175 | 173.7 | 0 | 0 | 109.6 | D50 Y54 Q55 L56 | D50-E52 WeakPolarHBondContact OD1-CB 3.24Å; D50-E52 PolarHBondContact OD1-N 3.46Å; E52-Y54 PolarHBondContact O-N 3.43Å; E52-Q55 WeakPolarHBondContact O-CB 3.45Å; E52-Q55 PolarHBondContact O-N 3.12Å; E52-Q55 VanDerWaalsContact O-N 3.12Å; E52-L56 WeakPolarHBondContact O-CG 3.42Å; E52-L56 PolarHBondContact O-N 2.97Å |
| 53 | V | 95.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 174.3 | -170.6 | 0 | 0 | 0 | 0 | 110.6 | D50 L56 W57 T90 Q93 Y94 F97 | D50-V53 HydrophobicContact CB-CB 3.95Å; D50-V53 HydrophobicContact CB-CG2 3.69Å; D50-V53 VanDerWaalsContact CG-CG2 3.43Å; D50-V53 WeakPolarHBondContact OD1-CG2 3.44Å; D50-V53 PolarHBondContact OD1-N 3.39Å; V53-L56 PolarHBondContact O-N 3.25Å; V53-W57 WeakPolarHBondContact O-CB 3.29Å; V53-W57 PolarHBondContact O-N 2.98Å; V53-T90 HydrophobicContact CG1-CG2 4.1Å; V53-Q93 HydrophobicContact CG1-CB 3.86Å; V53-Q93 HydrophobicContact CG1-CG 4.42Å; V53-Y94 HydrophobicContact CG1-CD1 3.95Å; V53-Y94 HydrophobicContact CG1-CE1 3.76Å; V53-F97 HydrophobicContact CB-CE2 4.31Å; V53-F97 HydrophobicContact CB-CZ 4.47Å; V53-F97 HydrophobicContact CG1-CE2 3.98Å |
| 54 | Y | 96.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 173.6 | -173.7 | -120.6 | 0 | 0 | 0 | 111.9 | D50 E52 L56 W57 L58 F97 L104 L126 R129 Y130 | D50-Y54 VanDerWaalsContact O-CB 3.25Å; D50-Y54 WeakPolarHBondContact O-CB 3.32Å; D50-Y54 PolarHBondContact O-N 3.4Å; E52-Y54 PolarHBondContact O-N 3.43Å; Y54-L56 PolarHBondContact O-N 3.34Å; Y54-W57 HydrophobicContact CD2-CE3 4.09Å; Y54-W57 AromaticContact CE2-CE3 3.77Å; Y54-W57 HydrophobicContact CE2-CE3 3.77Å; Y54-W57 AromaticContact CE2-CZ3 3.86Å; Y54-W57 HydrophobicContact CE2-CZ3 3.86Å; Y54-W57 WeakPolarHBondContact O-CB 3.49Å; Y54-W57 PolarHBondContact O-N 2.85Å; Y54-L58 HydrophobicContact CD1-CD1 3.83Å; Y54-L58 HydrophobicContact CD1-CG 4.37Å; Y54-L58 HydrophobicContact CE1-CD1 3.48Å; Y54-L58 VanDerWaalsContact CE1-CD1 3.48Å; Y54-L58 HydrophobicContact CE1-CD2 4.46Å; Y54-L58 HydrophobicContact CE1-CG 4.08Å; Y54-L58 HydrophobicContact CE2-CD2 4.32Å; Y54-L58 HydrophobicContact CE2-CG 4.27Å; Y54-L58 HydrophobicContact CG-CD1 4.49Å; Y54-L58 WeakPolarHBondContact O-CB 3.36Å; Y54-L58 VanDerWaalsContact O-CG 3.29Å; Y54-L58 WeakPolarHBondContact O-CG 3.39Å; Y54-L58 PolarHBondContact O-N 3.11Å; Y54-F97 VanDerWaalsContact CA-CE2 3.48Å; Y54-F97 HydrophobicContact CD2-CB 4.48Å; Y54-F97 AromaticContact CD2-CD1 3.67Å; Y54-F97 HydrophobicContact CD2-CD1 3.67Å; Y54-F97 AromaticContact CD2-CD2 3.97Å; Y54-F97 HydrophobicContact CD2-CD2 3.97Å; Y54-F97 AromaticContact CD2-CE1 3.77Å; Y54-F97 HydrophobicContact CD2-CE1 3.77Å; Y54-F97 HydrophobicContact CD2-CE2 4.06Å; Y54-F97 AromaticContact CD2-CG 3.78Å; Y54-F97 HydrophobicContact CD2-CG 3.78Å; Y54-F97 AromaticContact CD2-CZ 3.97Å; Y54-F97 HydrophobicContact CD2-CZ 3.97Å; Y54-F97 HydrophobicContact CE2-CD1 4.23Å; Y54-F97 HydrophobicContact CE2-CG 4.3Å; Y54-F97 HydrophobicContact CG-CE1 4.33Å; Y54-F97 HydrophobicContact CG-CZ 4.31Å; Y54-L104 HydrophobicContact CE2-CD1 4.43Å; Y54-L104 WeakPolarHBondContact OH-CD1 3.5Å; Y54-L126 HydrophobicContact CD1-CD2 3.76Å; Y54-L126 HydrophobicContact CD2-CD2 4.19Å; Y54-L126 HydrophobicContact CE1-CB 4.46Å; Y54-L126 HydrophobicContact CE1-CD2 3.57Å; Y54-L126 HydrophobicContact CE2-CD2 4.04Å; Y54-L126 HydrophobicContact CG-CD2 4.06Å; Y54-L126 PolarHBondContact OH-O 3.34Å; Y54-R129 HydrophobicContact CD1-CB 4.46Å; Y54-R129 HydrophobicContact CE1-CB 3.98Å; Y54-Y130 WeakPolarHBondContact OH-CB 3.29Å |
| 55 | Q | 96.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 29% | 0.29 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176 | -169.3 | 60.2 | 47.3 | 0 | 0 | 111.7 | E51 E52 W57 L58 D59 | E51-Q55 PolarHBondContact O-N 2.99Å; E52-Q55 WeakPolarHBondContact O-CB 3.45Å; E52-Q55 PolarHBondContact O-N 3.12Å; E52-Q55 VanDerWaalsContact O-N 3.12Å; Q55-W57 VanDerWaalsContact C-N 3.3Å; Q55-W57 PolarHBondContact O-N 3.4Å; Q55-L58 WeakPolarHBondContact O-CB 3.28Å; Q55-L58 PolarHBondContact O-N 3.22Å; Q55-L58 VanDerWaalsContact O-N 3.17Å; Q55-D59 PolarHBondContact NE2-OD1 3.28Å; Q55-D59 WeakPolarHBondContact O-CB 3.45Å; Q55-D59 PolarHBondContact O-N 3.41Å |
| 56 | L | 96.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 176.1 | -66.2 | 170.2 | 0 | 0 | 0 | 112.1 | E52 V53 Y54 D59 G60 Y61 A66 V69 R70 | E52-L56 WeakPolarHBondContact O-CG 3.42Å; E52-L56 PolarHBondContact O-N 2.97Å; V53-L56 PolarHBondContact O-N 3.25Å; Y54-L56 PolarHBondContact O-N 3.34Å; L56-D59 PolarHBondContact O-N 3.44Å; L56-G60 PolarHBondContact O-N 3.07Å; L56-G60 VanDerWaalsContact O-N 3.1Å; L56-Y61 HydrophobicContact CD2-CD2 4.09Å; L56-Y61 HydrophobicContact CD2-CE2 4.32Å; L56-Y61 HydrophobicContact CD2-CG 4.27Å; L56-Y61 WeakPolarHBondContact O-CB 3.46Å; L56-Y61 PolarHBondContact O-N 3.41Å; L56-A66 HydrophobicContact CB-CB 4.07Å; L56-A66 HydrophobicContact CD1-CB 3.92Å; L56-V69 HydrophobicContact CD1-CB 4.39Å; L56-V69 HydrophobicContact CD1-CG1 4.31Å; L56-V69 HydrophobicContact CD2-CB 4.29Å; L56-V69 HydrophobicContact CD2-CG1 3.94Å; L56-R70 HydrophobicContact CD1-CG 4.11Å |
| 57 | W | 97.6 | Very high | 93 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.5 | 177.2 | 84.6 | 0 | 0 | 0 | 112.3 | V53 Y54 Q55 G60 Y94 F97 Q98 E101 Y130 K166 | V53-W57 WeakPolarHBondContact O-CB 3.29Å; V53-W57 PolarHBondContact O-N 2.98Å; Y54-W57 HydrophobicContact CD2-CE3 4.09Å; Y54-W57 AromaticContact CE2-CE3 3.77Å; Y54-W57 HydrophobicContact CE2-CE3 3.77Å; Y54-W57 AromaticContact CE2-CZ3 3.86Å; Y54-W57 HydrophobicContact CE2-CZ3 3.86Å; Y54-W57 WeakPolarHBondContact O-CB 3.49Å; Y54-W57 PolarHBondContact O-N 2.85Å; Q55-W57 VanDerWaalsContact C-N 3.3Å; Q55-W57 PolarHBondContact O-N 3.4Å; W57-G60 PolarHBondContact O-N 3.36Å; W57-Y94 WeakPolarHBondContact CA-OH 3.31Å; W57-Y94 HydrophobicContact CB-CD1 4.15Å; W57-Y94 HydrophobicContact CB-CE1 3.66Å; W57-Y94 HydrophobicContact CB-CE2 4.37Å; W57-Y94 AromaticContact CD1-CD2 3.61Å; W57-Y94 AromaticContact CD1-CE2 3.74Å; W57-Y94 AromaticContact CD1-CG 3.77Å; W57-Y94 HydrophobicContact CG-CD1 4.47Å; W57-Y94 HydrophobicContact CG-CE1 4.35Å; W57-Y94 HydrophobicContact CG-CE2 4.47Å; W57-Y94 PolarHBondContact N-OH 2.88Å; W57-F97 HydrophobicContact CB-CD2 3.79Å; W57-F97 HydrophobicContact CB-CE2 4.24Å; W57-F97 HydrophobicContact CD2-CB 3.9Å; W57-F97 HydrophobicContact CD2-CD2 4.19Å; W57-F97 HydrophobicContact CD2-CG 4.45Å; W57-F97 HydrophobicContact CE3-CB 4.15Å; W57-F97 HydrophobicContact CG-CB 4.3Å; W57-F97 AromaticContact CG-CD2 3.82Å; W57-F97 HydrophobicContact CG-CD2 3.82Å; W57-F97 HydrophobicContact CZ2-CB 4.26Å; W57-F97 HydrophobicContact CZ3-CB 4.44Å; W57-Q98 HydrophobicContact CZ2-CG 4.47Å; W57-E101 HydrophobicContact CH2-CB 4.15Å; W57-E101 HydrophobicContact CH2-CG 4.01Å; W57-Y130 HydrophobicContact CH2-CE2 4.25Å; W57-Y130 HydrophobicContact CZ3-CD2 4.25Å; W57-Y130 HydrophobicContact CZ3-CE2 4.26Å; W57-K166 PolarHBondContact O-NZ 3.2Å |
| 58 | L | 97.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -50.2 | 175.2 | -75.8 | -178.9 | 0 | 0 | 0 | 110.6 | Y54 Q55 G60 R129 Y130 S167 R170 | Y54-L58 HydrophobicContact CD1-CD1 3.83Å; Y54-L58 HydrophobicContact CD1-CG 4.37Å; Y54-L58 HydrophobicContact CE1-CD1 3.48Å; Y54-L58 VanDerWaalsContact CE1-CD1 3.48Å; Y54-L58 HydrophobicContact CE1-CD2 4.46Å; Y54-L58 HydrophobicContact CE1-CG 4.08Å; Y54-L58 HydrophobicContact CE2-CD2 4.32Å; Y54-L58 HydrophobicContact CE2-CG 4.27Å; Y54-L58 HydrophobicContact CG-CD1 4.49Å; Y54-L58 WeakPolarHBondContact O-CB 3.36Å; Y54-L58 VanDerWaalsContact O-CG 3.29Å; Y54-L58 WeakPolarHBondContact O-CG 3.39Å; Y54-L58 PolarHBondContact O-N 3.11Å; Q55-L58 WeakPolarHBondContact O-CB 3.28Å; Q55-L58 PolarHBondContact O-N 3.22Å; Q55-L58 VanDerWaalsContact O-N 3.17Å; L58-G60 PolarHBondContact O-N 2.89Å; L58-R129 HydrophobicContact CD1-CB 3.71Å; L58-R129 WeakPolarHBondContact CD1-O 3.2Å; L58-Y130 HydrophobicContact CD2-CD2 3.81Å; L58-S167 WeakPolarHBondContact O-CB 3.22Å; L58-R170 PolarHBondContact O-NH1 3Å |
| 59 | D | 96 | Very high | 94.4 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -9.6 | 178.2 | -63.9 | -14.7 | 0 | 0 | 0 | 112.3 | Q55 L56 Y61 T164 | Q55-D59 PolarHBondContact NE2-OD1 3.28Å; Q55-D59 WeakPolarHBondContact O-CB 3.45Å; Q55-D59 PolarHBondContact O-N 3.41Å; L56-D59 PolarHBondContact O-N 3.44Å; D59-Y61 HydrophobicContact CB-CD2 3.73Å; D59-Y61 HydrophobicContact CB-CE2 3.74Å; D59-T164 WeakPolarHBondContact O-CB 3.24Å; D59-T164 WeakPolarHBondContact O-CG2 3.36Å; D59-T164 PolarHBondContact O-OG1 2.8Å |
| 60 | G | 95.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 45 Ų | 45 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 14.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L56 W57 L58 | L56-G60 PolarHBondContact O-N 3.07Å; L56-G60 VanDerWaalsContact O-N 3.1Å; W57-G60 PolarHBondContact O-N 3.36Å; L58-G60 PolarHBondContact O-N 2.89Å |
| 61 | Y | 96.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 46 Ų | 46 | 38% | 0.376 | 23% | 0.232 | S | C | . | . | trans | -62.1 | 141.5 | 175.1 | -73.8 | -103.2 | 0 | 0 | 0 | 110.6 | L56 D59 D65 V69 Y94 | L56-Y61 HydrophobicContact CD2-CD2 4.09Å; L56-Y61 HydrophobicContact CD2-CE2 4.32Å; L56-Y61 HydrophobicContact CD2-CG 4.27Å; L56-Y61 WeakPolarHBondContact O-CB 3.46Å; L56-Y61 PolarHBondContact O-N 3.41Å; D59-Y61 HydrophobicContact CB-CD2 3.73Å; D59-Y61 HydrophobicContact CB-CE2 3.74Å; Y61-D65 HydrophobicContact CD1-CB 3.86Å; Y61-V69 HydrophobicContact CD1-CG2 4.38Å; Y61-V69 HydrophobicContact CE1-CG2 4.12Å; Y61-Y94 VanDerWaalsContact O-CE2 3.3Å; Y61-Y94 WeakPolarHBondContact O-CE2 3.3Å; Y61-Y94 PolarHBondContact O-OH 2.95Å | ||
| 62 | T | 95.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | trans | -67.9 | 161.9 | 168.8 | 74.2 | 0 | 0 | 0 | 0 | 109.8 | N64 D65 A66 | T62-N64 PolarHBondContact O-N 3.45Å; T62-D65 PolarHBondContact O-N 2.7Å; T62-D65 VanDerWaalsContact OG1-CG 3.23Å; T62-D65 PolarHBondContact OG1-N 2.92Å; T62-D65 PolarHBondContact OG1-OD2 3.12Å; T62-A66 WeakPolarHBondContact O-CB 3.31Å; T62-A66 PolarHBondContact O-N 2.96Å | ||
| 63 | V | 95.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.5 | -44.6 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | D65 A66 V67 L87 T90 M91 Y94 | V63-D65 PolarHBondContact O-N 3.28Å; V63-A66 PolarHBondContact O-N 2.99Å; V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.48Å; V63-V67 PolarHBondContact O-N 3.15Å; V63-L87 HydrophobicContact CG1-CD1 3.72Å; V63-T90 HydrophobicContact CG1-CG2 4.03Å; V63-M91 HydrophobicContact CG1-CB 4.24Å; V63-Y94 HydrophobicContact CG2-CD2 3.44Å; V63-Y94 VanDerWaalsContact CG2-CD2 3.44Å; V63-Y94 HydrophobicContact CG2-CE2 3.92Å; V63-Y94 HydrophobicContact CG2-CG 3.97Å |
| 64 | N | 94.9 | Very high | 93.1 | Very high | 97 Ų | 97 | 45 Ų | 45 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -179.2 | -68.2 | -35.5 | 0 | 0 | 0 | 112.6 | T62 V67 K68 | T62-N64 PolarHBondContact O-N 3.45Å; N64-V67 PolarHBondContact O-N 3.11Å; N64-K68 WeakPolarHBondContact O-CG 3.45Å; N64-K68 PolarHBondContact O-N 3.43Å; N64-K68 VanDerWaalsContact O-N 3.16Å |
| 65 | D | 95.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 46 Ų | 46 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -74.3 | -36.1 | 179.9 | -57.4 | -43 | 0 | 0 | 0 | 111.4 | Y61 T62 V63 V67 K68 V69 | Y61-D65 HydrophobicContact CD1-CB 3.86Å; T62-D65 PolarHBondContact O-N 2.7Å; T62-D65 VanDerWaalsContact OG1-CG 3.23Å; T62-D65 PolarHBondContact OG1-N 2.92Å; T62-D65 PolarHBondContact OG1-OD2 3.12Å; V63-D65 PolarHBondContact O-N 3.28Å; D65-V67 VanDerWaalsContact C-N 3.34Å; D65-V67 PolarHBondContact O-N 3.5Å; D65-K68 PolarHBondContact O-N 2.57Å; D65-K68 IonicContact OD1-NZ 3.53Å; D65-K68 PolarHBondContact OD1-NZ 3.33Å; D65-V69 WeakPolarHBondContact O-CG2 3.48Å; D65-V69 PolarHBondContact O-N 3.37Å |
| 66 | A | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L56 T62 V63 K68 V69 R70 T90 Y94 | L56-A66 HydrophobicContact CB-CB 4.07Å; L56-A66 HydrophobicContact CD1-CB 3.92Å; T62-A66 WeakPolarHBondContact O-CB 3.31Å; T62-A66 PolarHBondContact O-N 2.96Å; V63-A66 PolarHBondContact O-N 2.99Å; A66-K68 PolarHBondContact O-N 3.06Å; A66-V69 PolarHBondContact O-N 2.91Å; A66-R70 VanDerWaalsContact O-CG 3.3Å; A66-R70 WeakPolarHBondContact O-CG 3.36Å; A66-R70 PolarHBondContact O-N 3.48Å; A66-T90 HydrophobicContact CB-CG2 4.02Å; A66-Y94 HydrophobicContact CB-CE1 4.42Å; A66-Y94 WeakPolarHBondContact CB-OH 3.43Å |
| 67 | V | 93.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | V63 N64 D65 V69 R70 M71 L86 L87 T90 | V63-V67 VanDerWaalsContact O-CG2 3.26Å; V63-V67 WeakPolarHBondContact O-CG2 3.48Å; V63-V67 PolarHBondContact O-N 3.15Å; N64-V67 PolarHBondContact O-N 3.11Å; D65-V67 VanDerWaalsContact C-N 3.34Å; D65-V67 PolarHBondContact O-N 3.5Å; V67-V69 VanDerWaalsContact C-N 3.32Å; V67-V69 PolarHBondContact O-N 2.86Å; V67-R70 PolarHBondContact O-N 3.3Å; V67-M71 HydrophobicContact CG1-CG 4.31Å; V67-M71 HydrophobicContact CG1-SD 3.95Å; V67-M71 VanDerWaalsContact O-CG 3.25Å; V67-M71 WeakPolarHBondContact O-CG 3.36Å; V67-M71 PolarHBondContact O-N 3.5Å; V67-L86 HydrophobicContact CG1-CD2 4.14Å; V67-L86 HydrophobicContact CG1-CG 4.37Å; V67-L87 HydrophobicContact CG2-CB 4.3Å; V67-L87 HydrophobicContact CG2-CD1 3.87Å; V67-T90 HydrophobicContact CG2-CG2 4.12Å; V67-T90 WeakPolarHBondContact CG2-OG1 3.34Å |
| 68 | K | 92.8 | Very high | 87.7 | Confident | 127 Ų | 127 | 58.3 Ų | 58.3 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.6 | -42.5 | 176.9 | -67.6 | 169.8 | -164.5 | 157.9 | 0 | 112 | N64 D65 A66 M71 A72 | N64-K68 WeakPolarHBondContact O-CG 3.45Å; N64-K68 PolarHBondContact O-N 3.43Å; N64-K68 VanDerWaalsContact O-N 3.16Å; D65-K68 PolarHBondContact O-N 2.57Å; D65-K68 IonicContact OD1-NZ 3.53Å; D65-K68 PolarHBondContact OD1-NZ 3.33Å; A66-K68 PolarHBondContact O-N 3.06Å; K68-M71 PolarHBondContact O-N 2.93Å; K68-A72 WeakPolarHBondContact O-CB 3.2Å; K68-A72 PolarHBondContact O-N 3.03Å |
| 69 | V | 92.5 | Very high | 85.8 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | L56 Y61 D65 A66 V67 M71 A72 G73 | L56-V69 HydrophobicContact CD1-CB 4.39Å; L56-V69 HydrophobicContact CD1-CG1 4.31Å; L56-V69 HydrophobicContact CD2-CB 4.29Å; L56-V69 HydrophobicContact CD2-CG1 3.94Å; Y61-V69 HydrophobicContact CD1-CG2 4.38Å; Y61-V69 HydrophobicContact CE1-CG2 4.12Å; D65-V69 WeakPolarHBondContact O-CG2 3.48Å; D65-V69 PolarHBondContact O-N 3.37Å; A66-V69 PolarHBondContact O-N 2.91Å; V67-V69 VanDerWaalsContact C-N 3.32Å; V67-V69 PolarHBondContact O-N 2.86Å; V69-M71 VanDerWaalsContact C-N 3.32Å; V69-M71 PolarHBondContact O-N 3.32Å; V69-A72 PolarHBondContact O-N 2.96Å; V69-G73 PolarHBondContact O-N 3.5Å |
| 70 | R | 90.1 | Very high | 84.2 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 5% | 0.053 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 176 | -68.8 | 176.8 | 85.1 | -176.3 | 3.1 | 112.3 | D50 L56 A66 V67 G73 V75 L86 D89 T90 | D50-R70 IonicContact OD2-NH2 2.76Å; L56-R70 HydrophobicContact CD1-CG 4.11Å; A66-R70 VanDerWaalsContact O-CG 3.3Å; A66-R70 WeakPolarHBondContact O-CG 3.36Å; A66-R70 PolarHBondContact O-N 3.48Å; V67-R70 PolarHBondContact O-N 3.3Å; R70-G73 PolarHBondContact O-N 3.13Å; R70-V75 HydrophobicContact CB-CG2 4.28Å; R70-V75 WeakPolarHBondContact O-CB 3.36Å; R70-V75 VanDerWaalsContact O-CG2 3.28Å; R70-V75 WeakPolarHBondContact O-CG2 3.32Å; R70-V75 PolarHBondContact O-N 2.96Å; R70-L86 HydrophobicContact CB-CD1 4.37Å; R70-L86 HydrophobicContact CB-CD2 4.07Å; R70-L86 VanDerWaalsContact CZ-CD1 3.44Å; R70-D89 IonicContact CZ-OD2 2.89Å; R70-D89 IonicContact NH1-OD2 2.67Å; R70-D89 PolarHBondContact NH1-OD2 2.94Å; R70-D89 IonicContact NH2-OD2 3.29Å; R70-D89 PolarHBondContact NH2-OD2 3.38Å; R70-T90 PolarHBondContact NH1-OG1 3.37Å |
| 71 | M | 87.9 | Confident | 82.9 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 31% | 0.305 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.2 | -71.3 | 176.4 | 69.9 | 0 | 0 | 111.8 | V67 K68 V69 G73 G74 L76 Q83 L86 | V67-M71 HydrophobicContact CG1-CG 4.31Å; V67-M71 HydrophobicContact CG1-SD 3.95Å; V67-M71 VanDerWaalsContact O-CG 3.25Å; V67-M71 WeakPolarHBondContact O-CG 3.36Å; V67-M71 PolarHBondContact O-N 3.5Å; K68-M71 PolarHBondContact O-N 2.93Å; V69-M71 VanDerWaalsContact C-N 3.32Å; V69-M71 PolarHBondContact O-N 3.32Å; M71-G73 PolarHBondContact O-N 2.7Å; M71-G74 PolarHBondContact O-N 3.45Å; M71-G74 VanDerWaalsContact O-N 3.13Å; M71-L76 HydrophobicContact CE-CD1 3.91Å; M71-L76 HydrophobicContact CG-CD1 3.87Å; M71-L76 HydrophobicContact CG-CG 4.42Å; M71-Q83 HydrophobicContact CE-CG 4.21Å; M71-Q83 HydrophobicContact SD-CG 3.81Å; M71-L86 HydrophobicContact CG-CD2 3.63Å |
| 72 | A | 87.1 | Confident | 82.2 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.2 | -25.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K68 V69 G74 | K68-A72 WeakPolarHBondContact O-CB 3.2Å; K68-A72 PolarHBondContact O-N 3.03Å; V69-A72 PolarHBondContact O-N 2.96Å; A72-G74 VanDerWaalsContact C-N 3.25Å; A72-G74 PolarHBondContact O-N 2.89Å |
| 73 | G | 83.3 | Confident | 81.7 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V69 R70 M71 | V69-G73 PolarHBondContact O-N 3.5Å; R70-G73 PolarHBondContact O-N 3.13Å; M71-G73 PolarHBondContact O-N 2.7Å |
| 74 | G | 79.6 | Confident | 81.2 | Confident | 16 Ų | 16 | 72 Ų | 72 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 13 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | M71 A72 L76 D77 E78 | M71-G74 PolarHBondContact O-N 3.45Å; M71-G74 VanDerWaalsContact O-N 3.13Å; A72-G74 VanDerWaalsContact C-N 3.25Å; A72-G74 PolarHBondContact O-N 2.89Å; G74-L76 PolarHBondContact O-N 3.12Å; G74-L76 VanDerWaalsContact O-N 3.08Å; G74-D77 WeakPolarHBondContact O-CB 3.34Å; G74-D77 PolarHBondContact O-N 3.33Å; G74-E78 PolarHBondContact O-N 2.79Å |
| 75 | V | 74.8 | Confident | 80.8 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.5 | -179.9 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | L19 R70 L86 | L19-V75 HydrophobicContact CD2-CG1 4.42Å; R70-V75 HydrophobicContact CB-CG2 4.28Å; R70-V75 WeakPolarHBondContact O-CB 3.36Å; R70-V75 VanDerWaalsContact O-CG2 3.28Å; R70-V75 WeakPolarHBondContact O-CG2 3.32Å; R70-V75 PolarHBondContact O-N 2.96Å; V75-L86 HydrophobicContact CG1-CD1 4.12Å |
| 76 | L | 70.7 | Confident | 80.5 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.8 | 176 | -61.4 | -178.8 | 0 | 0 | 0 | 113.6 | M71 G74 C79 A81 L86 | M71-L76 HydrophobicContact CE-CD1 3.91Å; M71-L76 HydrophobicContact CG-CD1 3.87Å; M71-L76 HydrophobicContact CG-CG 4.42Å; G74-L76 PolarHBondContact O-N 3.12Å; G74-L76 VanDerWaalsContact O-N 3.08Å; L76-C79 CarbonylContact C-O 3.54Å; L76-A81 HydrophobicContact CD2-CB 4.36Å; L76-L86 HydrophobicContact CD2-CB 4.38Å; L76-L86 HydrophobicContact CD2-CD2 4.08Å; L76-L86 HydrophobicContact CG-CD2 4.4Å |
| 77 | D | 66.9 | Low | 80.4 | Confident | 151 Ų | 151 | 70.7 Ų | 70.7 | 81% | 0.807 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -25.9 | 175.4 | -60.4 | -35.8 | 0 | 0 | 0 | 110.8 | G74 | G74-D77 WeakPolarHBondContact O-CB 3.34Å; G74-D77 PolarHBondContact O-N 3.33Å |
| 78 | E | 61.3 | Low | 80.3 | Confident | 143 Ų | 143 | 73.5 Ų | 73.5 | 67% | 0.668 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82.6 | -15.8 | 176.6 | -62.3 | -173.2 | 166.2 | 0 | 0 | 113.3 | G74 | G74-E78 PolarHBondContact O-N 2.79Š|
| 79 | C | 57.5 | Low | 80.2 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -142 | 133.7 | -176.6 | -77.9 | 0 | 0 | 0 | 0 | 110.4 | L19 L76 A81 | L19-C79 HydrophobicContact CD2-CB 3.4Å; L19-C79 WeakPolarHBondContact CD2-SG 3.44Å; L19-C79 HydrophobicContact CG-CB 3.84Å; L76-C79 CarbonylContact C-O 3.54Å; C79-A81 HydrophobicContact CB-CB 4.23Å; C79-A81 PolarHBondContact O-N 3.25Å |
| 80 | E | 62.3 | Low | 80.3 | Confident | 200 Ų | 200 | 65.6 Ų | 65.6 | 94% | 0.935 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -67.4 | 49.5 | 171 | -63.8 | -176.2 | 157.4 | 0 | 0 | 112.5 | ||
| 81 | A | 68.1 | Low | 80.5 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | trans | -103.9 | 147.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L19 L76 C79 V85 | L19-A81 HydrophobicContact CD1-CB 3.8Å; L19-A81 HydrophobicContact CD2-CB 4.17Å; L19-A81 HydrophobicContact CG-CB 4.4Å; L76-A81 HydrophobicContact CD2-CB 4.36Å; C79-A81 HydrophobicContact CB-CB 4.23Å; C79-A81 PolarHBondContact O-N 3.25Å; A81-V85 HydrophobicContact CB-CG1 4.41Å | ||
| 82 | N | 80.7 | Confident | 80.7 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | trans | -93.7 | 167.2 | 171.2 | 74.4 | 4.4 | 0 | 0 | 0 | 110.6 | D84 V85 L86 | N82-D84 PolarHBondContact O-N 3.06Å; N82-D84 PolarHBondContact OD1-N 3.41Å; N82-V85 PolarHBondContact O-N 2.64Å; N82-V85 VanDerWaalsContact OD1-CG2 3.23Å; N82-V85 WeakPolarHBondContact OD1-CG2 3.39Å; N82-V85 PolarHBondContact OD1-N 3Å; N82-L86 PolarHBondContact O-N 2.82Å | ||
| 83 | Q | 85.5 | Confident | 81 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.2 | -34.1 | 179.6 | -178.2 | 177.3 | -4.3 | 0 | 0 | 113 | M71 L86 L87 | M71-Q83 HydrophobicContact CE-CG 4.21Å; M71-Q83 HydrophobicContact SD-CG 3.81Å; Q83-L86 PolarHBondContact O-N 2.87Å; Q83-L87 WeakPolarHBondContact O-CB 3.39Å; Q83-L87 PolarHBondContact O-N 2.78Å |
| 84 | D | 86.6 | Confident | 81.6 | Confident | 113 Ų | 113 | 62.4 Ų | 62.4 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.7 | -39.1 | -179.4 | -62.4 | -37.5 | 0 | 0 | 0 | 112.1 | N82 L87 S88 | N82-D84 PolarHBondContact O-N 3.06Å; N82-D84 PolarHBondContact OD1-N 3.41Å; D84-L87 PolarHBondContact O-N 3.41Å; D84-S88 PolarHBondContact O-N 3.42Å |
| 85 | V | 86.6 | Confident | 82.3 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 42% | 0.418 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | L19 A81 N82 L87 S88 D89 | L19-V85 HydrophobicContact CD1-CG1 3.92Å; A81-V85 HydrophobicContact CB-CG1 4.41Å; N82-V85 PolarHBondContact O-N 2.64Å; N82-V85 VanDerWaalsContact OD1-CG2 3.23Å; N82-V85 WeakPolarHBondContact OD1-CG2 3.39Å; N82-V85 PolarHBondContact OD1-N 3Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 2.93Å; V85-S88 PolarHBondContact O-N 3.05Å; V85-D89 WeakPolarHBondContact O-CB 3.27Å; V85-D89 PolarHBondContact O-N 3.42Å |
| 86 | L | 89 | Confident | 83 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 177.3 | -174.9 | 64.3 | 0 | 0 | 0 | 112.1 | V67 R70 M71 V75 L76 N82 Q83 T90 | V67-L86 HydrophobicContact CG1-CD2 4.14Å; V67-L86 HydrophobicContact CG1-CG 4.37Å; R70-L86 HydrophobicContact CB-CD1 4.37Å; R70-L86 HydrophobicContact CB-CD2 4.07Å; R70-L86 VanDerWaalsContact CZ-CD1 3.44Å; M71-L86 HydrophobicContact CG-CD2 3.63Å; V75-L86 HydrophobicContact CG1-CD1 4.12Å; L76-L86 HydrophobicContact CD2-CB 4.38Å; L76-L86 HydrophobicContact CD2-CD2 4.08Å; L76-L86 HydrophobicContact CG-CD2 4.4Å; N82-L86 PolarHBondContact O-N 2.82Å; Q83-L86 PolarHBondContact O-N 2.87Å; L86-T90 WeakPolarHBondContact O-CB 3.49Å; L86-T90 PolarHBondContact O-N 3.4Å; L86-T90 PolarHBondContact O-OG1 2.92Å |
| 87 | L | 91.6 | Very high | 84.1 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 175.3 | 177.2 | 64.4 | 0 | 0 | 0 | 111.7 | V63 V67 Q83 D84 V85 T90 M91 | V63-L87 HydrophobicContact CG1-CD1 3.72Å; V67-L87 HydrophobicContact CG2-CB 4.3Å; V67-L87 HydrophobicContact CG2-CD1 3.87Å; Q83-L87 WeakPolarHBondContact O-CB 3.39Å; Q83-L87 PolarHBondContact O-N 2.78Å; D84-L87 PolarHBondContact O-N 3.41Å; V85-L87 VanDerWaalsContact C-N 3.31Å; V85-L87 PolarHBondContact O-N 2.93Å; L87-T90 PolarHBondContact O-N 3.09Å; L87-M91 WeakPolarHBondContact O-CB 3.19Å; L87-M91 PolarHBondContact O-N 3.48Å |
| 88 | S | 91.6 | Very high | 85.3 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 177.5 | -165.7 | 0 | 0 | 0 | 0 | 111.3 | D84 V85 T90 M91 D92 | D84-S88 PolarHBondContact O-N 3.42Å; V85-S88 PolarHBondContact O-N 3.05Å; S88-T90 PolarHBondContact O-N 3.44Å; S88-M91 WeakPolarHBondContact O-CB 3.46Å; S88-M91 PolarHBondContact O-N 3.22Å; S88-M91 VanDerWaalsContact O-N 3.17Å; S88-D92 PolarHBondContact O-N 2.9Å |
| 89 | D | 90.6 | Very high | 86.6 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 177 | 173.6 | 72.9 | 0 | 0 | 0 | 111.8 | R70 V85 M91 D92 Q93 | R70-D89 IonicContact CZ-OD2 2.89Å; R70-D89 IonicContact NH1-OD2 2.67Å; R70-D89 PolarHBondContact NH1-OD2 2.94Å; R70-D89 IonicContact NH2-OD2 3.29Å; R70-D89 PolarHBondContact NH2-OD2 3.38Å; V85-D89 WeakPolarHBondContact O-CB 3.27Å; V85-D89 PolarHBondContact O-N 3.42Å; D89-M91 VanDerWaalsContact C-N 3.28Å; D89-M91 PolarHBondContact O-N 3.18Å; D89-D92 PolarHBondContact O-N 3.09Å; D89-Q93 WeakPolarHBondContact O-CB 3.5Å; D89-Q93 WeakPolarHBondContact O-CG 3.29Å; D89-Q93 PolarHBondContact O-N 3.42Å |
| 90 | T | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 177.6 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | V53 V63 A66 V67 R70 L86 L87 S88 Y94 | V53-T90 HydrophobicContact CG1-CG2 4.1Å; V63-T90 HydrophobicContact CG1-CG2 4.03Å; A66-T90 HydrophobicContact CB-CG2 4.02Å; V67-T90 HydrophobicContact CG2-CG2 4.12Å; V67-T90 WeakPolarHBondContact CG2-OG1 3.34Å; R70-T90 PolarHBondContact NH1-OG1 3.37Å; L86-T90 WeakPolarHBondContact O-CB 3.49Å; L86-T90 PolarHBondContact O-N 3.4Å; L86-T90 PolarHBondContact O-OG1 2.92Å; L87-T90 PolarHBondContact O-N 3.09Å; S88-T90 PolarHBondContact O-N 3.44Å; T90-Y94 HydrophobicContact CG2-CD1 4.19Å; T90-Y94 HydrophobicContact CG2-CE1 4.08Å; T90-Y94 WeakPolarHBondContact O-CB 3.3Å; T90-Y94 VanDerWaalsContact O-CD1 3.32Å; T90-Y94 WeakPolarHBondContact O-CD1 2.95Å; T90-Y94 PolarHBondContact O-N 3.08Å |
| 91 | M | 94.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 56 Ų | 56 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 179.2 | -168.7 | 176.5 | -59.1 | 0 | 0 | 111.9 | V63 L87 S88 D89 Y94 R95 | V63-M91 HydrophobicContact CG1-CB 4.24Å; L87-M91 WeakPolarHBondContact O-CB 3.19Å; L87-M91 PolarHBondContact O-N 3.48Å; S88-M91 WeakPolarHBondContact O-CB 3.46Å; S88-M91 PolarHBondContact O-N 3.22Å; S88-M91 VanDerWaalsContact O-N 3.17Å; D89-M91 VanDerWaalsContact C-N 3.28Å; D89-M91 PolarHBondContact O-N 3.18Å; M91-Y94 PolarHBondContact O-N 3.14Å; M91-R95 WeakPolarHBondContact O-CG 3.5Å; M91-R95 PolarHBondContact O-N 3.4Å; M91-R95 PolarHBondContact SD-NH2 3.03Å |
| 92 | D | 92.6 | Very high | 90.4 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71 | -38.9 | 179.2 | -69.1 | -27.6 | 0 | 0 | 0 | 112.2 | S88 D89 Y94 R95 T96 | S88-D92 PolarHBondContact O-N 2.9Å; D89-D92 PolarHBondContact O-N 3.09Å; D92-Y94 PolarHBondContact O-N 3.13Å; D92-R95 PolarHBondContact O-N 3.37Å; D92-R95 IonicContact OD1-CZ 2.91Å; D92-R95 IonicContact OD1-NH1 3.85Å; D92-R95 PolarHBondContact OD1-NH1 3.2Å; D92-T96 PolarHBondContact O-N 3.38Å; D92-T96 PolarHBondContact O-OG1 3.47Å |
| 93 | Q | 93.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 62.3 Ų | 62.3 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 169.5 | -73.2 | -72.9 | -18.6 | 0 | 0 | 111.1 | I48 V53 D89 R95 T96 F97 | I48-Q93 PolarHBondContact O-NE2 3Å; V53-Q93 HydrophobicContact CG1-CB 3.86Å; V53-Q93 HydrophobicContact CG1-CG 4.42Å; D89-Q93 WeakPolarHBondContact O-CB 3.5Å; D89-Q93 WeakPolarHBondContact O-CG 3.29Å; D89-Q93 PolarHBondContact O-N 3.42Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 3.42Å; Q93-T96 WeakPolarHBondContact O-CB 3.45Å; Q93-T96 PolarHBondContact O-N 2.66Å; Q93-F97 HydrophobicContact CB-CE2 4Å; Q93-F97 HydrophobicContact CB-CZ 4Å; Q93-F97 WeakPolarHBondContact O-CD1 3.38Å; Q93-F97 VanDerWaalsContact O-CD2 3.26Å; Q93-F97 WeakPolarHBondContact O-CD2 3.46Å; Q93-F97 WeakPolarHBondContact O-CG 3.48Å; Q93-F97 PolarHBondContact O-N 2.96Å; Q93-F97 VanDerWaalsContact OE1-CZ 3.32Å |
| 94 | Y | 95.6 | Very high | 91.1 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 178 | -90.8 | 41.7 | 0 | 0 | 0 | 113.1 | V53 W57 Y61 V63 A66 T90 M91 D92 F97 Q98 | V53-Y94 HydrophobicContact CG1-CD1 3.95Å; V53-Y94 HydrophobicContact CG1-CE1 3.76Å; W57-Y94 WeakPolarHBondContact CA-OH 3.31Å; W57-Y94 HydrophobicContact CB-CD1 4.15Å; W57-Y94 HydrophobicContact CB-CE1 3.66Å; W57-Y94 HydrophobicContact CB-CE2 4.37Å; W57-Y94 AromaticContact CD1-CD2 3.61Å; W57-Y94 AromaticContact CD1-CE2 3.74Å; W57-Y94 AromaticContact CD1-CG 3.77Å; W57-Y94 HydrophobicContact CG-CD1 4.47Å; W57-Y94 HydrophobicContact CG-CE1 4.35Å; W57-Y94 HydrophobicContact CG-CE2 4.47Å; W57-Y94 PolarHBondContact N-OH 2.88Å; Y61-Y94 VanDerWaalsContact O-CE2 3.3Å; Y61-Y94 WeakPolarHBondContact O-CE2 3.3Å; Y61-Y94 PolarHBondContact O-OH 2.95Å; V63-Y94 HydrophobicContact CG2-CD2 3.44Å; V63-Y94 VanDerWaalsContact CG2-CD2 3.44Å; V63-Y94 HydrophobicContact CG2-CE2 3.92Å; V63-Y94 HydrophobicContact CG2-CG 3.97Å; A66-Y94 HydrophobicContact CB-CE1 4.42Å; A66-Y94 WeakPolarHBondContact CB-OH 3.43Å; T90-Y94 HydrophobicContact CG2-CD1 4.19Å; T90-Y94 HydrophobicContact CG2-CE1 4.08Å; T90-Y94 WeakPolarHBondContact O-CB 3.3Å; T90-Y94 VanDerWaalsContact O-CD1 3.32Å; T90-Y94 WeakPolarHBondContact O-CD1 2.95Å; T90-Y94 PolarHBondContact O-N 3.08Å; M91-Y94 PolarHBondContact O-N 3.14Å; D92-Y94 PolarHBondContact O-N 3.13Å; Y94-F97 HydrophobicContact CD1-CD2 4.21Å; Y94-F97 HydrophobicContact CD1-CE2 4.31Å; Y94-F97 PolarHBondContact O-N 2.87Å; Y94-Q98 VanDerWaalsContact O-CG 3.29Å; Y94-Q98 WeakPolarHBondContact O-CG 3.47Å; Y94-Q98 PolarHBondContact O-N 3.04Å |
| 95 | R | 93.6 | Very high | 91.4 | Very high | 130 Ų | 130 | 54.9 Ų | 54.9 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 174.7 | -73.1 | 168.2 | 179.3 | 157 | -2.8 | 110.7 | M91 D92 Q93 F97 Q98 M99 | M91-R95 WeakPolarHBondContact O-CG 3.5Å; M91-R95 PolarHBondContact O-N 3.4Å; M91-R95 PolarHBondContact SD-NH2 3.03Å; D92-R95 PolarHBondContact O-N 3.37Å; D92-R95 IonicContact OD1-CZ 2.91Å; D92-R95 IonicContact OD1-NH1 3.85Å; D92-R95 PolarHBondContact OD1-NH1 3.2Å; Q93-R95 VanDerWaalsContact C-N 3.34Å; Q93-R95 PolarHBondContact O-N 3.42Å; R95-F97 VanDerWaalsContact C-N 3.35Å; R95-F97 PolarHBondContact O-N 2.88Å; R95-Q98 PolarHBondContact O-N 3.23Å; R95-M99 WeakPolarHBondContact O-CG 3.19Å; R95-M99 PolarHBondContact O-N 3.24Å |
| 96 | T | 91.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | T47 M49 D92 Q93 Q98 M99 C100 F116 | T47-T96 HydrophobicContact CG2-CG2 3.89Å; M49-T96 HydrophobicContact CE-CG2 3.73Å; D92-T96 PolarHBondContact O-N 3.38Å; D92-T96 PolarHBondContact O-OG1 3.47Å; Q93-T96 WeakPolarHBondContact O-CB 3.45Å; Q93-T96 PolarHBondContact O-N 2.66Å; T96-Q98 PolarHBondContact O-N 3.45Å; T96-M99 PolarHBondContact O-N 2.99Å; T96-C100 PolarHBondContact O-N 2.93Å; T96-C100 PolarHBondContact O-SG 3.41Å; T96-F116 HydrophobicContact CG2-CE1 4.21Å |
| 97 | F | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.6 | -56.9 | -29.6 | 0 | 0 | 0 | 112.6 | M49 V53 Y54 W57 Q93 Y94 R95 M99 C100 E101 | M49-F97 HydrophobicContact CB-CE1 3.99Å; M49-F97 HydrophobicContact CG-CD1 4.48Å; M49-F97 HydrophobicContact CG-CE1 3.89Å; M49-F97 HydrophobicContact SD-CD1 4.34Å; M49-F97 HydrophobicContact SD-CE1 4.19Å; V53-F97 HydrophobicContact CB-CE2 4.31Å; V53-F97 HydrophobicContact CB-CZ 4.47Å; V53-F97 HydrophobicContact CG1-CE2 3.98Å; Y54-F97 VanDerWaalsContact CA-CE2 3.48Å; Y54-F97 HydrophobicContact CD2-CB 4.48Å; Y54-F97 AromaticContact CD2-CD1 3.67Å; Y54-F97 HydrophobicContact CD2-CD1 3.67Å; Y54-F97 AromaticContact CD2-CD2 3.97Å; Y54-F97 HydrophobicContact CD2-CD2 3.97Å; Y54-F97 AromaticContact CD2-CE1 3.77Å; Y54-F97 HydrophobicContact CD2-CE1 3.77Å; Y54-F97 HydrophobicContact CD2-CE2 4.06Å; Y54-F97 AromaticContact CD2-CG 3.78Å; Y54-F97 HydrophobicContact CD2-CG 3.78Å; Y54-F97 AromaticContact CD2-CZ 3.97Å; Y54-F97 HydrophobicContact CD2-CZ 3.97Å; Y54-F97 HydrophobicContact CE2-CD1 4.23Å; Y54-F97 HydrophobicContact CE2-CG 4.3Å; Y54-F97 HydrophobicContact CG-CE1 4.33Å; Y54-F97 HydrophobicContact CG-CZ 4.31Å; W57-F97 HydrophobicContact CB-CD2 3.79Å; W57-F97 HydrophobicContact CB-CE2 4.24Å; W57-F97 HydrophobicContact CD2-CB 3.9Å; W57-F97 HydrophobicContact CD2-CD2 4.19Å; W57-F97 HydrophobicContact CD2-CG 4.45Å; W57-F97 HydrophobicContact CE3-CB 4.15Å; W57-F97 HydrophobicContact CG-CB 4.3Å; W57-F97 AromaticContact CG-CD2 3.82Å; W57-F97 HydrophobicContact CG-CD2 3.82Å; W57-F97 HydrophobicContact CZ2-CB 4.26Å; W57-F97 HydrophobicContact CZ3-CB 4.44Å; Q93-F97 HydrophobicContact CB-CE2 4Å; Q93-F97 HydrophobicContact CB-CZ 4Å; Q93-F97 WeakPolarHBondContact O-CD1 3.38Å; Q93-F97 VanDerWaalsContact O-CD2 3.26Å; Q93-F97 WeakPolarHBondContact O-CD2 3.46Å; Q93-F97 WeakPolarHBondContact O-CG 3.48Å; Q93-F97 PolarHBondContact O-N 2.96Å; Q93-F97 VanDerWaalsContact OE1-CZ 3.32Å; Y94-F97 HydrophobicContact CD1-CD2 4.21Å; Y94-F97 HydrophobicContact CD1-CE2 4.31Å; Y94-F97 PolarHBondContact O-N 2.87Å; R95-F97 VanDerWaalsContact C-N 3.35Å; R95-F97 PolarHBondContact O-N 2.88Å; F97-M99 VanDerWaalsContact C-N 3.31Å; F97-M99 PolarHBondContact O-N 3.31Å; F97-C100 CarbonylContact O-C 3.6Å; F97-C100 PolarHBondContact O-N 3.13Å; F97-C100 VanDerWaalsContact O-N 3.16Å; F97-E101 PolarHBondContact O-N 3.43Å |
| 98 | Q | 91.9 | Very high | 91 | Very high | 110 Ų | 110 | 54 Ų | 54 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 175.8 | -73.9 | 172.7 | -1.6 | 0 | 0 | 112.2 | W57 Y94 R95 T96 C100 E101 | W57-Q98 HydrophobicContact CZ2-CG 4.47Å; Y94-Q98 VanDerWaalsContact O-CG 3.29Å; Y94-Q98 WeakPolarHBondContact O-CG 3.47Å; Y94-Q98 PolarHBondContact O-N 3.04Å; R95-Q98 PolarHBondContact O-N 3.23Å; T96-Q98 PolarHBondContact O-N 3.45Å; Q98-C100 VanDerWaalsContact C-N 3.34Å; Q98-E101 WeakPolarHBondContact O-CB 3.39Å; Q98-E101 PolarHBondContact O-N 2.9Å |
| 99 | M | 88.9 | Confident | 90.7 | Very high | 128 Ų | 128 | 57.5 Ų | 57.5 | 63% | 0.631 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.4 | -36.5 | 175 | -66.4 | 176.7 | 66.3 | 0 | 0 | 111.8 | R95 T96 F97 F116 | R95-M99 WeakPolarHBondContact O-CG 3.19Å; R95-M99 PolarHBondContact O-N 3.24Å; T96-M99 PolarHBondContact O-N 2.99Å; F97-M99 VanDerWaalsContact C-N 3.31Å; F97-M99 PolarHBondContact O-N 3.31Å; M99-F116 HydrophobicContact CB-CZ 3.73Å; M99-F116 HydrophobicContact CE-CZ 4.37Å |
| 100 | C | 88.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.6 | -22.1 | 176.9 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | M49 T96 F97 Q98 R102 L103 L104 F116 | M49-C100 HydrophobicContact CE-CB 4.36Å; M49-C100 WeakPolarHBondContact CE-SG 3.31Å; T96-C100 PolarHBondContact O-N 2.93Å; T96-C100 PolarHBondContact O-SG 3.41Å; F97-C100 CarbonylContact O-C 3.6Å; F97-C100 PolarHBondContact O-N 3.13Å; F97-C100 VanDerWaalsContact O-N 3.16Å; Q98-C100 VanDerWaalsContact C-N 3.34Å; C100-R102 VanDerWaalsContact C-N 3.28Å; C100-R102 PolarHBondContact O-N 2.84Å; C100-L103 WeakPolarHBondContact O-CA 3.44Å; C100-L103 WeakPolarHBondContact O-CB 3.38Å; C100-L103 PolarHBondContact O-N 2.87Å; C100-L104 PolarHBondContact O-N 3.17Å; C100-F116 WeakPolarHBondContact SG-CE2 3.4Å; C100-F116 WeakPolarHBondContact SG-CZ 3.41Å |
| 101 | E | 91.5 | Very high | 89.4 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.5 | -42.8 | -173 | -172.7 | 175.3 | -170.1 | 0 | 0 | 112.3 | W57 F97 Q98 L103 L104 Q105 Y130 | W57-E101 HydrophobicContact CH2-CB 4.15Å; W57-E101 HydrophobicContact CH2-CG 4.01Å; F97-E101 PolarHBondContact O-N 3.43Å; Q98-E101 WeakPolarHBondContact O-CB 3.39Å; Q98-E101 PolarHBondContact O-N 2.9Å; E101-L103 PolarHBondContact O-N 3.31Å; E101-L104 PolarHBondContact O-N 3.1Å; E101-L104 VanDerWaalsContact O-N 3.14Å; E101-Q105 VanDerWaalsContact O-CG 3.29Å; E101-Q105 WeakPolarHBondContact O-CG 3.28Å; E101-Q105 PolarHBondContact O-N 2.92Å; E101-Y130 HydrophobicContact CG-CE2 4.04Å |
| 102 | R | 87.6 | Confident | 88.6 | Confident | 208 Ų | 208 | 62.1 Ų | 62.1 | 79% | 0.785 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.9 | -31.2 | 177.6 | -66.7 | -173.5 | -175.3 | -177.3 | 2.8 | 113.2 | C100 | C100-R102 VanDerWaalsContact C-N 3.28Å; C100-R102 PolarHBondContact O-N 2.84Å |
| 103 | L | 88.9 | Confident | 88 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.4 | -38.9 | 176.7 | -60.4 | 166.2 | 0 | 0 | 0 | 110.5 | C100 E101 Q105 S106 K109 L110 Q113 F116 | C100-L103 WeakPolarHBondContact O-CA 3.44Å; C100-L103 WeakPolarHBondContact O-CB 3.38Å; C100-L103 PolarHBondContact O-N 2.87Å; E101-L103 PolarHBondContact O-N 3.31Å; L103-Q105 PolarHBondContact O-N 3.23Å; L103-S106 CarbonylContact O-C 3.58Å; L103-S106 PolarHBondContact O-N 3.36Å; L103-K109 HydrophobicContact CD2-CB 4.47Å; L103-L110 HydrophobicContact CB-CB 4.44Å; L103-L110 HydrophobicContact CB-CD1 3.74Å; L103-L110 HydrophobicContact CD1-CD1 4.17Å; L103-Q113 HydrophobicContact CD1-CB 4.48Å; L103-Q113 HydrophobicContact CD1-CG 3.8Å; L103-Q113 HydrophobicContact CD2-CB 4.14Å; L103-Q113 HydrophobicContact CD2-CG 4.1Å; L103-F116 HydrophobicContact CD1-CD2 3.72Å; L103-F116 HydrophobicContact CD1-CE2 3.82Å |
| 104 | L | 91.5 | Very high | 87.2 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -29.6 | 174.6 | -65.6 | 168.1 | 0 | 0 | 0 | 112.4 | Y54 C100 E101 S106 L110 L126 I127 Y130 Y131 | Y54-L104 HydrophobicContact CE2-CD1 4.43Å; Y54-L104 WeakPolarHBondContact OH-CD1 3.5Å; C100-L104 PolarHBondContact O-N 3.17Å; E101-L104 PolarHBondContact O-N 3.1Å; E101-L104 VanDerWaalsContact O-N 3.14Å; L104-S106 PolarHBondContact O-N 3.25Å; L104-L110 HydrophobicContact CD2-CD2 3.98Å; L104-L126 HydrophobicContact CD2-CB 3.86Å; L104-I127 HydrophobicContact CD2-CG1 4.18Å; L104-Y130 HydrophobicContact CB-CD1 3.88Å; L104-Y130 HydrophobicContact CB-CD2 4.12Å; L104-Y130 HydrophobicContact CB-CE1 4.09Å; L104-Y130 HydrophobicContact CB-CE2 4.34Å; L104-Y130 HydrophobicContact CB-CG 3.89Å; L104-Y130 HydrophobicContact CD1-CD2 3.82Å; L104-Y130 HydrophobicContact CD1-CE2 4.36Å; L104-Y130 HydrophobicContact CD1-CG 4.13Å; L104-Y130 HydrophobicContact CG-CG 4.5Å; L104-Y131 WeakPolarHBondContact O-CE2 3.36Å |
| 105 | Q | 92.1 | Very high | 86.4 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.9 | 171.5 | -64.6 | 174.3 | 11.3 | 0 | 0 | 113.4 | E101 L103 Y130 R177 | E101-Q105 VanDerWaalsContact O-CG 3.29Å; E101-Q105 WeakPolarHBondContact O-CG 3.28Å; E101-Q105 PolarHBondContact O-N 2.92Å; L103-Q105 PolarHBondContact O-N 3.23Å; Q105-Y130 HydrophobicContact CG-CE1 4.46Å; Q105-R177 WeakPolarHBondContact O-CD 3.43Å; Q105-R177 PolarHBondContact O-NE 3.38Å |
| 106 | S | 88.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -139.6 | 79.9 | 177.4 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | L103 L104 A108 K109 | L103-S106 CarbonylContact O-C 3.58Å; L103-S106 PolarHBondContact O-N 3.36Å; L104-S106 PolarHBondContact O-N 3.25Å; S106-A108 VanDerWaalsContact C-N 3.25Å; S106-A108 PolarHBondContact O-N 3.33Å; S106-K109 WeakPolarHBondContact O-CA 3.48Å; S106-K109 WeakPolarHBondContact O-CB 3.41Å; S106-K109 PolarHBondContact O-N 3.49Å |
| 107 | P | 87.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -49.4 | -39.7 | -171 | -34.8 | 41.4 | 0 | 0 | 0 | 114.9 | K109 L110 I127 Y131 F197 L198 | P107-K109 PolarHBondContact O-N 3.01Å; P107-K109 VanDerWaalsContact O-N 3.12Å; P107-L110 WeakPolarHBondContact O-CB 3.4Å; P107-L110 PolarHBondContact O-N 2.82Å; P107-I127 HydrophobicContact CB-CD1 3.86Å; P107-I127 HydrophobicContact CB-CG1 4.2Å; P107-I127 HydrophobicContact CB-CG2 4.22Å; P107-I127 HydrophobicContact CG-CG1 4.48Å; P107-I127 HydrophobicContact CG-CG2 4.08Å; P107-Y131 HydrophobicContact CG-CE2 3.94Å; P107-F197 WeakPolarHBondContact CB-O 3.4Å; P107-F197 HydrophobicContact CG-CB 4.43Å; P107-F197 HydrophobicContact CG-CD1 4.23Å; P107-F197 WeakPolarHBondContact CG-O 3.4Å; P107-L198 HydrophobicContact CB-CB 4.34Å; P107-L198 HydrophobicContact CB-CD1 4.06Å; P107-L198 HydrophobicContact CB-CG 4.13Å |
| 108 | A | 82.6 | Confident | 85 | Confident | 58 Ų | 58 | 71.2 Ų | 71.2 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.1 | -23.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S106 N112 | S106-A108 VanDerWaalsContact C-N 3.25Å; S106-A108 PolarHBondContact O-N 3.33Å; A108-N112 PolarHBondContact O-ND2 2.82Å |
| 109 | K | 85.5 | Confident | 84.8 | Confident | 138 Ų | 138 | 67.8 Ų | 67.8 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -85.1 | -21.3 | 176.4 | -63.2 | -175.5 | 179.9 | 175.7 | 0 | 112.9 | L103 S106 P107 A111 N112 Q113 | L103-K109 HydrophobicContact CD2-CB 4.47Å; S106-K109 WeakPolarHBondContact O-CA 3.48Å; S106-K109 WeakPolarHBondContact O-CB 3.41Å; S106-K109 PolarHBondContact O-N 3.49Å; P107-K109 PolarHBondContact O-N 3.01Å; P107-K109 VanDerWaalsContact O-N 3.12Å; K109-A111 VanDerWaalsContact C-N 3.29Å; K109-A111 PolarHBondContact O-N 2.95Å; K109-N112 PolarHBondContact O-N 3.13Å; K109-Q113 PolarHBondContact O-N 3.1Å |
| 110 | L | 83.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 178.6 | -173.9 | 66.4 | 0 | 0 | 0 | 111.9 | L103 L104 P107 Q113 I118 Q123 I127 | L103-L110 HydrophobicContact CB-CB 4.44Å; L103-L110 HydrophobicContact CB-CD1 3.74Å; L103-L110 HydrophobicContact CD1-CD1 4.17Å; L104-L110 HydrophobicContact CD2-CD2 3.98Å; P107-L110 WeakPolarHBondContact O-CB 3.4Å; P107-L110 PolarHBondContact O-N 2.82Å; L110-Q113 VanDerWaalsContact O-CG 3.31Å; L110-Q113 WeakPolarHBondContact O-CG 3.48Å; L110-Q113 PolarHBondContact O-NE2 3.08Å; L110-I118 HydrophobicContact CD1-CD1 4.28Å; L110-Q123 HydrophobicContact CD2-CB 3.93Å; L110-Q123 HydrophobicContact CD2-CG 4.15Å; L110-Q123 HydrophobicContact CG-CB 4.5Å; L110-Q123 HydrophobicContact CG-CG 4.27Å; L110-I127 HydrophobicContact CD2-CD1 3.77Å; L110-I127 HydrophobicContact CD2-CG1 3.77Å |
| 111 | A | 74.4 | Confident | 84.7 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 45% | 0.446 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -74.4 | -27 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K109 | K109-A111 VanDerWaalsContact C-N 3.29Å; K109-A111 PolarHBondContact O-N 2.95Å |
| 112 | N | 76.3 | Confident | 84.6 | Confident | 136 Ų | 136 | 73.5 Ų | 73.5 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -104.7 | 6 | -169.3 | -68 | -52.8 | 0 | 0 | 0 | 114.1 | A108 K109 | A108-N112 PolarHBondContact O-ND2 2.82Å; K109-N112 PolarHBondContact O-N 3.13Å |
| 113 | Q | 80.6 | Confident | 84.7 | Confident | 30 Ų | 30 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | trans | -92.9 | 149.2 | -179.1 | 61.4 | 75.2 | 33 | 0 | 0 | 111.5 | L103 K109 L110 F116 | L103-Q113 HydrophobicContact CD1-CB 4.48Å; L103-Q113 HydrophobicContact CD1-CG 3.8Å; L103-Q113 HydrophobicContact CD2-CB 4.14Å; L103-Q113 HydrophobicContact CD2-CG 4.1Å; K109-Q113 PolarHBondContact O-N 3.1Å; L110-Q113 VanDerWaalsContact O-CG 3.31Å; L110-Q113 WeakPolarHBondContact O-CG 3.48Å; L110-Q113 PolarHBondContact O-NE2 3.08Å; Q113-F116 PolarHBondContact NE2-O 3.03Å | ||
| 114 | L | 77.4 | Confident | 84.9 | Confident | 155 Ų | 155 | 67.4 Ų | 67.4 | 81% | 0.812 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -103.4 | -4 | -176.1 | -59.5 | 175.7 | 0 | 0 | 0 | 113.7 | ||
| 115 | L | 79.2 | Confident | 85 | Confident | 145 Ų | 145 | 68.6 Ų | 68.6 | 76% | 0.759 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -78.6 | -38 | -172.9 | -68.6 | 172.1 | 0 | 0 | 0 | 112.6 | ||
| 116 | F | 80.1 | Confident | 85.1 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | trans | -117.4 | 122.7 | -179.3 | -55.9 | -76.4 | 0 | 0 | 0 | 109.9 | T47 T96 M99 C100 L103 Q113 I118 | T47-F116 HydrophobicContact CG2-CD1 4.01Å; T96-F116 HydrophobicContact CG2-CE1 4.21Å; M99-F116 HydrophobicContact CB-CZ 3.73Å; M99-F116 HydrophobicContact CE-CZ 4.37Å; C100-F116 WeakPolarHBondContact SG-CE2 3.4Å; C100-F116 WeakPolarHBondContact SG-CZ 3.41Å; L103-F116 HydrophobicContact CD1-CD2 3.72Å; L103-F116 HydrophobicContact CD1-CE2 3.82Å; Q113-F116 PolarHBondContact NE2-O 3.03Å; F116-I118 HydrophobicContact CB-CD1 3.66Å; F116-I118 HydrophobicContact CB-CG1 3.64Å; F116-I118 HydrophobicContact CG-CD1 4.37Å; F116-I118 PolarHBondContact O-N 3.2Å; F116-I118 VanDerWaalsContact O-N 3.13Å | ||
| 117 | Q | 83.8 | Confident | 85.5 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | B | Isolated β-bridge | trans | -85.3 | 85 | 172.7 | -62.4 | -63.2 | -32.3 | 0 | 0 | 108 | T46 T47 | T46-Q117 WeakPolarHBondContact CA-O 3.46Å; T47-Q117 PolarHBondContact N-O 3.1Å; T47-Q117 PolarHBondContact OG1-N 3.04Å |
| 118 | I | 85.3 | Confident | 85.9 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.062 | 35% | 0.351 | C | S | . | . | trans | -109.1 | 120.8 | -177.3 | -53.6 | 174.6 | 0 | 0 | 0 | 109.1 | M49 L110 F116 R122 Q123 L126 | M49-I118 HydrophobicContact CE-CD1 3.79Å; M49-I118 HydrophobicContact SD-CD1 4.49Å; L110-I118 HydrophobicContact CD1-CD1 4.28Å; F116-I118 HydrophobicContact CB-CD1 3.66Å; F116-I118 HydrophobicContact CB-CG1 3.64Å; F116-I118 HydrophobicContact CG-CD1 4.37Å; F116-I118 PolarHBondContact O-N 3.2Å; F116-I118 VanDerWaalsContact O-N 3.13Å; I118-R122 HydrophobicContact CG2-CB 3.64Å; I118-Q123 HydrophobicContact CB-CG 3.94Å; I118-Q123 HydrophobicContact CG2-CG 3.64Å; I118-Q123 PolarHBondContact O-NE2 3.19Å; I118-L126 HydrophobicContact CD1-CD1 4.14Å; I118-L126 HydrophobicContact CG2-CD1 4.1Å | ||
| 119 | P | 87.1 | Confident | 86.6 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | trans | -58.7 | 146.8 | 176.4 | -26.5 | 35.2 | 0 | 0 | 0 | 112.4 | T46 H121 R122 Q123 | T46-P119 HydrophobicContact CG2-CG 3.96Å; P119-H121 VanDerWaalsContact C-N 3.31Å; P119-H121 VanDerWaalsContact CB-CE1 3.46Å; P119-H121 WeakPolarHBondContact CB-CE1 3.4Å; P119-H121 PolarHBondContact O-N 2.92Å; P119-R122 WeakPolarHBondContact O-CA 3.36Å; P119-R122 WeakPolarHBondContact O-CB 3.07Å; P119-R122 PolarHBondContact O-N 2.66Å; P119-Q123 PolarHBondContact O-N 3.09Å | ||
| 120 | P | 87.1 | Confident | 87.2 | Confident | 100 Ų | 100 | 59.9 Ų | 59.9 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -53.1 | -42.3 | -176.3 | -29.3 | 35.3 | 0 | 0 | 0 | 114.5 | R122 Q123 T124 | P120-R122 VanDerWaalsContact C-N 3.31Å; P120-R122 PolarHBondContact O-N 3.33Å; P120-Q123 WeakPolarHBondContact O-CB 3.39Å; P120-Q123 PolarHBondContact O-N 3.04Å; P120-Q123 VanDerWaalsContact O-N 3.14Å; P120-T124 PolarHBondContact O-N 2.89Å; P120-T124 PolarHBondContact O-OG1 3.38Å |
| 121 | H | 88.6 | Confident | 87.9 | Confident | 125 Ų | 125 | 59.9 Ų | 59.9 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.2 | -36.4 | 178 | 71.1 | -87.3 | 0 | 0 | 0 | 112.8 | P119 M125 | P119-H121 VanDerWaalsContact C-N 3.31Å; P119-H121 VanDerWaalsContact CB-CE1 3.46Å; P119-H121 WeakPolarHBondContact CB-CE1 3.4Å; P119-H121 PolarHBondContact O-N 2.92Å; H121-M125 PolarHBondContact O-N 3Å; H121-M125 VanDerWaalsContact O-N 3.1Å |
| 122 | R | 88.6 | Confident | 89 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 33% | 0.328 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.4 | -37 | 174.7 | -69.6 | -59.9 | -174.2 | 137.9 | 9.8 | 111.2 | E51 I118 P119 P120 T124 M125 L126 | E51-R122 VanDerWaalsContact CD-NH1 3.34Å; E51-R122 IonicContact OE1-CZ 3.6Å; E51-R122 IonicContact OE1-NE 2.79Å; E51-R122 IonicContact OE1-NH1 2.71Å; E51-R122 PolarHBondContact OE1-NH1 3.44Å; I118-R122 HydrophobicContact CG2-CB 3.64Å; P119-R122 WeakPolarHBondContact O-CA 3.36Å; P119-R122 WeakPolarHBondContact O-CB 3.07Å; P119-R122 PolarHBondContact O-N 2.66Å; P120-R122 VanDerWaalsContact C-N 3.31Å; P120-R122 PolarHBondContact O-N 3.33Å; R122-T124 VanDerWaalsContact C-N 3.34Å; R122-T124 PolarHBondContact O-N 3.17Å; R122-M125 PolarHBondContact O-N 2.87Å; R122-L126 WeakPolarHBondContact O-CB 3.35Å; R122-L126 WeakPolarHBondContact O-CG 3.19Å; R122-L126 PolarHBondContact O-N 3.17Å |
| 123 | Q | 91.1 | Very high | 90 | Very high | 29 Ų | 29 | 54 Ų | 54 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 174.2 | -62.5 | -178.6 | 19.5 | 0 | 0 | 111 | L110 I118 P119 P120 M125 L126 I127 | L110-Q123 HydrophobicContact CD2-CB 3.93Å; L110-Q123 HydrophobicContact CD2-CG 4.15Å; L110-Q123 HydrophobicContact CG-CB 4.5Å; L110-Q123 HydrophobicContact CG-CG 4.27Å; I118-Q123 HydrophobicContact CB-CG 3.94Å; I118-Q123 HydrophobicContact CG2-CG 3.64Å; I118-Q123 PolarHBondContact O-NE2 3.19Å; P119-Q123 PolarHBondContact O-N 3.09Å; P120-Q123 WeakPolarHBondContact O-CB 3.39Å; P120-Q123 PolarHBondContact O-N 3.04Å; P120-Q123 VanDerWaalsContact O-N 3.14Å; Q123-M125 VanDerWaalsContact C-N 3.34Å; Q123-M125 PolarHBondContact O-N 3.28Å; Q123-L126 PolarHBondContact O-N 3.01Å; Q123-I127 WeakPolarHBondContact O-CB 3.43Å; Q123-I127 WeakPolarHBondContact O-CD1 3.39Å; Q123-I127 VanDerWaalsContact O-CG1 3.27Å; Q123-I127 WeakPolarHBondContact O-CG1 3.38Å; Q123-I127 PolarHBondContact O-N 3.05Å |
| 124 | T | 92.4 | Very high | 90.8 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | P120 R122 L126 I127 E128 | P120-T124 PolarHBondContact O-N 2.89Å; P120-T124 PolarHBondContact O-OG1 3.38Å; R122-T124 VanDerWaalsContact C-N 3.34Å; R122-T124 PolarHBondContact O-N 3.17Å; T124-L126 PolarHBondContact O-N 3.33Å; T124-I127 PolarHBondContact O-N 3.25Å; T124-E128 VanDerWaalsContact O-CB 3.26Å; T124-E128 WeakPolarHBondContact O-CB 3.44Å; T124-E128 PolarHBondContact O-N 3.29Å |
| 125 | M | 94.5 | Very high | 91.6 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 177.7 | -177.8 | -78.6 | -66.3 | 0 | 0 | 112.4 | E51 H121 R122 Q123 E128 R129 | E51-M125 HydrophobicContact CG-CE 3.72Å; E51-M125 HydrophobicContact CG-SD 4.45Å; H121-M125 PolarHBondContact O-N 3Å; H121-M125 VanDerWaalsContact O-N 3.1Å; R122-M125 PolarHBondContact O-N 2.87Å; Q123-M125 VanDerWaalsContact C-N 3.34Å; Q123-M125 PolarHBondContact O-N 3.28Å; M125-E128 PolarHBondContact O-N 2.97Å; M125-R129 WeakPolarHBondContact O-CG 3.4Å; M125-R129 PolarHBondContact O-N 3.43Å; M125-R129 HydrophobicContact SD-CG 4.14Å |
| 126 | L | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 179.6 | -68.8 | 167.6 | 0 | 0 | 0 | 111.4 | M49 Y54 L104 I118 R122 Q123 T124 Y130 | M49-L126 HydrophobicContact CE-CD1 4.44Å; M49-L126 HydrophobicContact SD-CD1 3.52Å; M49-L126 VanDerWaalsContact SD-CD1 3.52Å; M49-L126 HydrophobicContact SD-CD2 3.82Å; M49-L126 HydrophobicContact SD-CG 4.3Å; Y54-L126 HydrophobicContact CD1-CD2 3.76Å; Y54-L126 HydrophobicContact CD2-CD2 4.19Å; Y54-L126 HydrophobicContact CE1-CB 4.46Å; Y54-L126 HydrophobicContact CE1-CD2 3.57Å; Y54-L126 HydrophobicContact CE2-CD2 4.04Å; Y54-L126 HydrophobicContact CG-CD2 4.06Å; Y54-L126 PolarHBondContact OH-O 3.34Å; L104-L126 HydrophobicContact CD2-CB 3.86Å; I118-L126 HydrophobicContact CD1-CD1 4.14Å; I118-L126 HydrophobicContact CG2-CD1 4.1Å; R122-L126 WeakPolarHBondContact O-CB 3.35Å; R122-L126 WeakPolarHBondContact O-CG 3.19Å; R122-L126 PolarHBondContact O-N 3.17Å; Q123-L126 PolarHBondContact O-N 3.01Å; T124-L126 PolarHBondContact O-N 3.33Å; L126-Y130 WeakPolarHBondContact O-CB 3.46Å; L126-Y130 PolarHBondContact O-N 3.35Å |
| 127 | I | 95.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | 177.3 | -70.4 | 161.6 | 0 | 0 | 0 | 110 | L104 P107 L110 Q123 T124 R129 Y130 Y131 F197 L198 L199 | L104-I127 HydrophobicContact CD2-CG1 4.18Å; P107-I127 HydrophobicContact CB-CD1 3.86Å; P107-I127 HydrophobicContact CB-CG1 4.2Å; P107-I127 HydrophobicContact CB-CG2 4.22Å; P107-I127 HydrophobicContact CG-CG1 4.48Å; P107-I127 HydrophobicContact CG-CG2 4.08Å; L110-I127 HydrophobicContact CD2-CD1 3.77Å; L110-I127 HydrophobicContact CD2-CG1 3.77Å; Q123-I127 WeakPolarHBondContact O-CB 3.43Å; Q123-I127 WeakPolarHBondContact O-CD1 3.39Å; Q123-I127 VanDerWaalsContact O-CG1 3.27Å; Q123-I127 WeakPolarHBondContact O-CG1 3.38Å; Q123-I127 PolarHBondContact O-N 3.05Å; T124-I127 PolarHBondContact O-N 3.25Å; I127-R129 PolarHBondContact O-N 2.97Å; I127-Y130 PolarHBondContact O-N 3.21Å; I127-Y131 HydrophobicContact CG2-CD2 4.28Å; I127-Y131 WeakPolarHBondContact O-CD2 3.27Å; I127-Y131 PolarHBondContact O-N 3.49Å; I127-F197 WeakPolarHBondContact CG2-O 3.45Å; I127-L198 HydrophobicContact CD1-CB 4.44Å; I127-L198 HydrophobicContact CD1-CD1 4.24Å; I127-L199 HydrophobicContact CG2-CD2 3.77Å |
| 128 | E | 96.5 | Very high | 93.7 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -49.2 | -177.7 | -171.2 | 72.1 | -171.3 | 0 | 0 | 111 | T124 M125 Y131 A132 S200 L203 | T124-E128 VanDerWaalsContact O-CB 3.26Å; T124-E128 WeakPolarHBondContact O-CB 3.44Å; T124-E128 PolarHBondContact O-N 3.29Å; M125-E128 PolarHBondContact O-N 2.97Å; E128-Y131 PolarHBondContact O-N 2.68Å; E128-A132 WeakPolarHBondContact O-CB 3.44Å; E128-A132 PolarHBondContact O-N 2.64Å; E128-S200 WeakPolarHBondContact OE1-CB 3.09Å; E128-S200 PolarHBondContact OE1-OG 2.64Å; E128-S200 PolarHBondContact OE2-N 3.21Å; E128-L203 HydrophobicContact CG-CD2 4.49Å |
| 129 | R | 97.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.1 | -35 | 179.1 | -68.8 | -167.9 | -172.5 | -170.2 | 11.1 | 113 | E51 Y54 L58 M125 I127 Y131 A132 | E51-R129 PolarHBondContact O-NH1 3.38Å; E51-R129 IonicContact OE2-CZ 3.78Å; E51-R129 IonicContact OE2-NH2 2.92Å; E51-R129 PolarHBondContact OE2-NH2 3.42Å; Y54-R129 HydrophobicContact CD1-CB 4.46Å; Y54-R129 HydrophobicContact CE1-CB 3.98Å; L58-R129 HydrophobicContact CD1-CB 3.71Å; L58-R129 WeakPolarHBondContact CD1-O 3.2Å; M125-R129 WeakPolarHBondContact O-CG 3.4Å; M125-R129 PolarHBondContact O-N 3.43Å; M125-R129 HydrophobicContact SD-CG 4.14Å; I127-R129 PolarHBondContact O-N 2.97Å; R129-Y131 VanDerWaalsContact C-N 3.3Å; R129-Y131 PolarHBondContact O-N 2.9Å; R129-A132 WeakPolarHBondContact O-CB 3.33Å; R129-A132 PolarHBondContact O-N 3.24Å |
| 130 | Y | 97.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.1 | -174 | -101.1 | 0 | 0 | 0 | 112.1 | Y54 W57 L58 E101 L104 Q105 L126 I127 R170 N174 | Y54-Y130 WeakPolarHBondContact OH-CB 3.29Å; W57-Y130 HydrophobicContact CH2-CE2 4.25Å; W57-Y130 HydrophobicContact CZ3-CD2 4.25Å; W57-Y130 HydrophobicContact CZ3-CE2 4.26Å; L58-Y130 HydrophobicContact CD2-CD2 3.81Å; E101-Y130 HydrophobicContact CG-CE2 4.04Å; L104-Y130 HydrophobicContact CB-CD1 3.88Å; L104-Y130 HydrophobicContact CB-CD2 4.12Å; L104-Y130 HydrophobicContact CB-CE1 4.09Å; L104-Y130 HydrophobicContact CB-CE2 4.34Å; L104-Y130 HydrophobicContact CB-CG 3.89Å; L104-Y130 HydrophobicContact CD1-CD2 3.82Å; L104-Y130 HydrophobicContact CD1-CE2 4.36Å; L104-Y130 HydrophobicContact CD1-CG 4.13Å; L104-Y130 HydrophobicContact CG-CG 4.5Å; Q105-Y130 HydrophobicContact CG-CE1 4.46Å; L126-Y130 WeakPolarHBondContact O-CB 3.46Å; L126-Y130 PolarHBondContact O-N 3.35Å; I127-Y130 PolarHBondContact O-N 3.21Å; Y130-R170 HydrophobicContact CE2-CG 4Å; Y130-R170 PolarHBondContact O-NE 3.05Å; Y130-N174 WeakPolarHBondContact CE1-OD1 3.27Å; Y130-N174 PolarHBondContact O-ND2 2.67Å |
| 131 | Y | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -87 | -12.2 | 177.1 | -80.2 | -94.3 | 0 | 0 | 0 | 113.6 | L104 P107 I127 E128 R129 F133 N174 R177 V178 F197 L199 Y207 | L104-Y131 WeakPolarHBondContact O-CE2 3.36Å; P107-Y131 HydrophobicContact CG-CE2 3.94Å; I127-Y131 HydrophobicContact CG2-CD2 4.28Å; I127-Y131 WeakPolarHBondContact O-CD2 3.27Å; I127-Y131 PolarHBondContact O-N 3.49Å; E128-Y131 PolarHBondContact O-N 2.68Å; R129-Y131 VanDerWaalsContact C-N 3.3Å; R129-Y131 PolarHBondContact O-N 2.9Å; Y131-F133 WeakPolarHBondContact O-CD1 3.49Å; Y131-N174 HydrophobicContact CD1-CB 4.02Å; Y131-N174 HydrophobicContact CE1-CB 4.09Å; Y131-R177 PolarHBondContact OH-NH1 3.21Å; Y131-V178 HydrophobicContact CD1-CG2 4.26Å; Y131-V178 HydrophobicContact CE1-CG2 3.91Å; Y131-F197 AromaticContact CE1-CD1 3.61Å; Y131-F197 HydrophobicContact CE1-CD1 3.61Å; Y131-F197 AromaticContact CE1-CE1 3.98Å; Y131-F197 HydrophobicContact CE1-CE1 3.98Å; Y131-F197 HydrophobicContact CE1-CG 4.4Å; Y131-F197 HydrophobicContact CE2-CD1 4.36Å; Y131-F197 AromaticContact CZ-CD1 3.49Å; Y131-F197 VanDerWaalsContact CZ-CD1 3.49Å; Y131-F197 AromaticContact CZ-CE1 3.94Å; Y131-F197 WeakPolarHBondContact OH-CD1 3.43Å; Y131-F197 VanDerWaalsContact OH-CE1 3.28Å; Y131-F197 WeakPolarHBondContact OH-CE1 3.39Å; Y131-L199 HydrophobicContact CD1-CD1 4.27Å; Y131-L199 HydrophobicContact CD2-CD2 4.02Å; Y131-L199 HydrophobicContact CG-CD1 4.32Å; Y131-L199 HydrophobicContact CG-CD2 3.81Å; Y131-Y207 HydrophobicContact CD1-CE1 4.48Å; Y131-Y207 HydrophobicContact CD1-CE2 4.17Å; Y131-Y207 AromaticContact CD1-CZ 3.82Å; Y131-Y207 VanDerWaalsContact O-CE2 3.31Å; Y131-Y207 WeakPolarHBondContact O-CE2 3.46Å; Y131-Y207 PolarHBondContact O-OH 3.37Å |
| 132 | A | 97.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | trans | -59.5 | 148.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | E128 R129 R170 | E128-A132 WeakPolarHBondContact O-CB 3.44Å; E128-A132 PolarHBondContact O-N 2.64Å; R129-A132 WeakPolarHBondContact O-CB 3.33Å; R129-A132 PolarHBondContact O-N 3.24Å; A132-R170 PolarHBondContact O-NH2 3.04Å | ||
| 133 | F | 97.9 | Very high | 94.7 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | trans | -143 | 162.6 | -176.1 | 53.5 | -106.8 | 0 | 0 | 0 | 111.1 | Y131 V138 Q171 F175 L203 D206 Y207 I210 F230 | Y131-F133 WeakPolarHBondContact O-CD1 3.49Å; F133-V138 HydrophobicContact CB-CG2 4.1Å; F133-V138 HydrophobicContact CD2-CB 4.3Å; F133-V138 HydrophobicContact CD2-CG2 3.25Å; F133-V138 HydrophobicContact CE2-CB 4.41Å; F133-V138 HydrophobicContact CE2-CG2 3.69Å; F133-V138 HydrophobicContact CG-CG2 3.77Å; F133-V138 HydrophobicContact CZ-CG2 4.5Å; F133-Q171 VanDerWaalsContact CA-OE1 3.29Å; F133-Q171 HydrophobicContact CB-CB 4.28Å; F133-Q171 HydrophobicContact CB-CG 3.87Å; F133-F175 HydrophobicContact CB-CE1 4.22Å; F133-F175 HydrophobicContact CB-CZ 3.88Å; F133-F175 AromaticContact CD1-CE1 3.6Å; F133-F175 HydrophobicContact CD1-CE1 3.6Å; F133-F175 HydrophobicContact CD1-CZ 4.07Å; F133-F175 HydrophobicContact CE1-CE1 4.04Å; F133-F175 AromaticContact CG-CE1 3.97Å; F133-F175 HydrophobicContact CG-CE1 3.97Å; F133-F175 AromaticContact CG-CZ 3.95Å; F133-F175 HydrophobicContact CG-CZ 3.95Å; F133-L203 HydrophobicContact CD1-CD1 4.08Å; F133-L203 HydrophobicContact CE1-CD1 3.6Å; F133-L203 HydrophobicContact CZ-CD1 4.21Å; F133-D206 HydrophobicContact CZ-CB 3.74Å; F133-Y207 AromaticContact CD1-CE2 3.84Å; F133-Y207 HydrophobicContact CD1-CE2 3.84Å; F133-Y207 AromaticContact CD1-CZ 3.9Å; F133-Y207 AromaticContact CE1-CD2 3.85Å; F133-Y207 HydrophobicContact CE1-CD2 3.85Å; F133-Y207 AromaticContact CE1-CE2 3.61Å; F133-Y207 HydrophobicContact CE1-CE2 3.61Å; F133-Y207 HydrophobicContact CE1-CG 4.4Å; F133-Y207 AromaticContact CE1-CZ 3.98Å; F133-I210 HydrophobicContact CE1-CD1 3.86Å; F133-I210 HydrophobicContact CE2-CD1 4.25Å; F133-I210 HydrophobicContact CZ-CD1 3.68Å; F133-F230 HydrophobicContact CE2-CD1 4.25Å; F133-F230 AromaticContact CE2-CE1 3.68Å; F133-F230 HydrophobicContact CE2-CE1 3.68Å; F133-F230 HydrophobicContact CE2-CZ 4.11Å; F133-F230 HydrophobicContact CZ-CE1 4Å; F133-F230 HydrophobicContact CZ-CZ 4.13Å | ||
| 134 | D | 97.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 17% | 0.17 | S | C | . | . | trans | -88 | 126.3 | 178.3 | -63.5 | -78.3 | 0 | 0 | 0 | 110.5 | S136 F137 V138 V163 Q171 | D134-S136 PolarHBondContact O-N 3.14Å; D134-F137 HydrophobicContact CB-CB 3.99Å; D134-F137 WeakPolarHBondContact O-CB 3.37Å; D134-F137 PolarHBondContact O-N 3.18Å; D134-V138 PolarHBondContact O-N 3.48Å; D134-V163 HydrophobicContact CB-CG2 3.82Å; D134-Q171 PolarHBondContact OD2-NE2 3.33Å | ||
| 135 | D | 95.3 | Very high | 94.1 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 36% | 0.358 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.6 | -36.2 | 178.9 | -82.4 | 4.8 | 0 | 0 | 0 | 112.1 | R139 F230 Q231 | D135-R139 WeakPolarHBondContact O-CB 3.26Å; D135-R139 PolarHBondContact O-N 2.82Å; D135-F230 HydrophobicContact CB-CB 4.31Å; D135-F230 WeakPolarHBondContact OD1-CD1 3.32Å; D135-Q231 PolarHBondContact OD1-NE2 3.1Å; D135-Q231 WeakPolarHBondContact OD2-CG 3.2Å; D135-Q231 PolarHBondContact OD2-NE2 3.22Å |
| 136 | S | 94.6 | Very high | 93.6 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 176.7 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | D134 T161 | D134-S136 PolarHBondContact O-N 3.14Å; S136-T161 WeakPolarHBondContact O-CG2 3.44Å |
| 137 | F | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.3 | -50.2 | 175.6 | 175.2 | -107.6 | 0 | 0 | 0 | 111.2 | D134 R139 E140 V141 L154 I157 V163 C168 Q171 F172 F175 | D134-F137 HydrophobicContact CB-CB 3.99Å; D134-F137 WeakPolarHBondContact O-CB 3.37Å; D134-F137 PolarHBondContact O-N 3.18Å; F137-R139 VanDerWaalsContact C-N 3.26Å; F137-R139 PolarHBondContact O-N 2.93Å; F137-E140 PolarHBondContact O-N 3.24Å; F137-E140 VanDerWaalsContact O-N 3.12Å; F137-V141 HydrophobicContact CD2-CG2 4.46Å; F137-V141 HydrophobicContact CE1-CG2 4.22Å; F137-V141 HydrophobicContact CE2-CG2 3.95Å; F137-V141 HydrophobicContact CZ-CG2 3.83Å; F137-V141 PolarHBondContact O-N 3.46Å; F137-L154 HydrophobicContact CE2-CD2 3.77Å; F137-L154 HydrophobicContact CZ-CD2 3.68Å; F137-I157 HydrophobicContact CD2-CG2 3.65Å; F137-I157 HydrophobicContact CE2-CG2 3.8Å; F137-V163 HydrophobicContact CB-CG2 4.24Å; F137-C168 HydrophobicContact CD2-CB 4.17Å; F137-C168 VanDerWaalsContact CD2-SG 3.55Å; F137-C168 HydrophobicContact CE2-CB 3.58Å; F137-C168 VanDerWaalsContact CE2-SG 3.55Å; F137-C168 HydrophobicContact CZ-CB 3.95Å; F137-C168 WeakPolarHBondContact CZ-O 3.38Å; F137-Q171 HydrophobicContact CD1-CB 3.89Å; F137-Q171 HydrophobicContact CE1-CB 3.63Å; F137-F172 HydrophobicContact CZ-CB 4.25Å; F137-F175 HydrophobicContact CD1-CE2 4.12Å; F137-F175 AromaticContact CE1-CE2 3.73Å; F137-F175 HydrophobicContact CE1-CE2 3.73Å; F137-F175 HydrophobicContact CE1-CZ 4.46Å |
| 138 | V | 95.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | -179.8 | 178.8 | 0 | 0 | 0 | 0 | 111 | F133 D134 E140 V141 L142 F175 I210 F230 | F133-V138 HydrophobicContact CB-CG2 4.1Å; F133-V138 HydrophobicContact CD2-CB 4.3Å; F133-V138 HydrophobicContact CD2-CG2 3.25Å; F133-V138 HydrophobicContact CE2-CB 4.41Å; F133-V138 HydrophobicContact CE2-CG2 3.69Å; F133-V138 HydrophobicContact CG-CG2 3.77Å; F133-V138 HydrophobicContact CZ-CG2 4.5Å; D134-V138 PolarHBondContact O-N 3.48Å; V138-E140 PolarHBondContact O-N 2.86Å; V138-E140 VanDerWaalsContact O-N 3.14Å; V138-V141 CarbonylContact O-C 3.6Å; V138-V141 PolarHBondContact O-N 3.47Å; V138-L142 HydrophobicContact CG1-CD1 4.44Å; V138-L142 VanDerWaalsContact O-CB 3.29Å; V138-L142 WeakPolarHBondContact O-CB 3.32Å; V138-L142 PolarHBondContact O-N 2.89Å; V138-F175 HydrophobicContact CG2-CE1 4.2Å; V138-F175 HydrophobicContact CG2-CE2 3.88Å; V138-F175 HydrophobicContact CG2-CZ 3.35Å; V138-I210 HydrophobicContact CG1-CD1 3.67Å; V138-I210 HydrophobicContact CG1-CG1 3.76Å; V138-I210 HydrophobicContact CG2-CD1 4.21Å; V138-F230 HydrophobicContact CB-CD2 4.22Å; V138-F230 HydrophobicContact CB-CG 4.37Å; V138-F230 HydrophobicContact CG1-CD2 3.45Å; V138-F230 VanDerWaalsContact CG1-CD2 3.45Å; V138-F230 HydrophobicContact CG1-CE2 3.49Å; V138-F230 VanDerWaalsContact CG1-CE2 3.49Å; V138-F230 HydrophobicContact CG1-CG 4.07Å; V138-F230 HydrophobicContact CG1-CZ 4.14Å |
| 139 | R | 95.4 | Very high | 91.4 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.5 | -33.5 | 177.3 | 179.9 | 62 | -172.9 | 86.4 | -5.9 | 113.5 | D135 F137 T220 L225 L228 F230 | D135-R139 WeakPolarHBondContact O-CB 3.26Å; D135-R139 PolarHBondContact O-N 2.82Å; F137-R139 VanDerWaalsContact C-N 3.26Å; F137-R139 PolarHBondContact O-N 2.93Å; R139-T220 VanDerWaalsContact CZ-O 3.3Å; R139-T220 PolarHBondContact NH1-O 2.83Å; R139-T220 PolarHBondContact NH2-O 3.11Å; R139-L225 PolarHBondContact NH2-O 3.47Å; R139-L228 PolarHBondContact NE-O 2.95Å; R139-F230 HydrophobicContact CB-CB 4.48Å |
| 140 | E | 93.1 | Very high | 90.5 | Very high | 51 Ų | 51 | 41 Ų | 41 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83 | -23.5 | 178.8 | -68 | -62.5 | 144.3 | 0 | 0 | 113.7 | F137 V138 K144 I157 K160 T161 | F137-E140 PolarHBondContact O-N 3.24Å; F137-E140 VanDerWaalsContact O-N 3.12Å; V138-E140 PolarHBondContact O-N 2.86Å; V138-E140 VanDerWaalsContact O-N 3.14Å; E140-K144 WeakPolarHBondContact O-CE 3.22Å; E140-K144 PolarHBondContact O-NZ 3.09Å; E140-I157 HydrophobicContact CB-CG1 4.46Å; E140-I157 HydrophobicContact CB-CG2 3.76Å; E140-I157 HydrophobicContact CG-CG2 4.26Å; E140-K160 HydrophobicContact CG-CD 4.39Å; E140-K160 VanDerWaalsContact OE1-CE 3.23Å; E140-K160 WeakPolarHBondContact OE1-CE 3.18Å; E140-K160 IonicContact OE1-NZ 2.88Å; E140-K160 PolarHBondContact OE1-NZ 3.43Å; E140-K160 IonicContact OE2-NZ 3.92Å; E140-K160 PolarHBondContact OE2-NZ 3.47Å; E140-T161 HydrophobicContact CG-CG2 3.88Å |
| 141 | V | 92.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -96.3 | -23.6 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | F137 V138 G143 K144 L146 T150 I157 F172 | F137-V141 HydrophobicContact CD2-CG2 4.46Å; F137-V141 HydrophobicContact CE1-CG2 4.22Å; F137-V141 HydrophobicContact CE2-CG2 3.95Å; F137-V141 HydrophobicContact CZ-CG2 3.83Å; F137-V141 PolarHBondContact O-N 3.46Å; V138-V141 CarbonylContact O-C 3.6Å; V138-V141 PolarHBondContact O-N 3.47Å; V141-G143 PolarHBondContact O-N 2.96Å; V141-K144 VanDerWaalsContact O-CB 3.3Å; V141-K144 WeakPolarHBondContact O-CB 3.47Å; V141-K144 PolarHBondContact O-N 3.31Å; V141-K144 VanDerWaalsContact O-N 3.11Å; V141-L146 HydrophobicContact CG1-CD2 4.24Å; V141-T150 HydrophobicContact CG1-CG2 4.18Å; V141-I157 HydrophobicContact CG2-CD1 4.03Å; V141-F172 HydrophobicContact CG1-CD2 4.04Å; V141-F172 HydrophobicContact CG1-CE2 4.1Å |
| 142 | L | 93.3 | Very high | 89.1 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 132 | -173.2 | -167.9 | 69.7 | 0 | 0 | 0 | 112.5 | V138 K144 I210 F213 T220 F230 F233 | V138-L142 HydrophobicContact CG1-CD1 4.44Å; V138-L142 VanDerWaalsContact O-CB 3.29Å; V138-L142 WeakPolarHBondContact O-CB 3.32Å; V138-L142 PolarHBondContact O-N 2.89Å; L142-K144 PolarHBondContact O-N 2.86Å; L142-I210 HydrophobicContact CD1-CG1 4.25Å; L142-F213 HydrophobicContact CD1-CB 3.66Å; L142-F213 HydrophobicContact CD1-CD1 4.06Å; L142-F213 HydrophobicContact CD1-CG 3.85Å; L142-F213 HydrophobicContact CD2-CD1 3.72Å; L142-F213 HydrophobicContact CD2-CE1 3.86Å; L142-F213 HydrophobicContact CD2-CG 4.25Å; L142-F213 HydrophobicContact CD2-CZ 4.5Å; L142-F213 HydrophobicContact CG-CB 4.04Å; L142-F213 HydrophobicContact CG-CD1 3.59Å; L142-F213 HydrophobicContact CG-CE1 4.24Å; L142-F213 HydrophobicContact CG-CG 3.93Å; L142-T220 HydrophobicContact CD2-CG2 4.1Å; L142-T220 HydrophobicContact CG-CG2 4.25Å; L142-T220 PolarHBondContact O-OG1 3.36Å; L142-F230 HydrophobicContact CD1-CD2 4.44Å; L142-F230 HydrophobicContact CD1-CE2 4.2Å; L142-F230 HydrophobicContact CD2-CD2 4.18Å; L142-F233 HydrophobicContact CD2-CB 3.66Å; L142-F233 HydrophobicContact CD2-CD2 3.98Å; L142-F233 HydrophobicContact CD2-CG 3.91Å |
| 143 | G | 82.4 | Confident | 88.7 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -12 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V141 F218 | V141-G143 PolarHBondContact O-N 2.96Å; G143-F218 VanDerWaalsContact CA-O 3.3Å; G143-F218 WeakPolarHBondContact CA-O 3.39Å |
| 144 | K | 86.8 | Confident | 88.5 | Confident | 85 Ų | 85 | 53.1 Ų | 53.1 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -75.9 | 147.8 | 169.8 | -61.3 | 177.6 | 178.5 | 163.9 | 0 | 110 | E140 V141 L142 L146 T150 | E140-K144 WeakPolarHBondContact O-CE 3.22Å; E140-K144 PolarHBondContact O-NZ 3.09Å; V141-K144 VanDerWaalsContact O-CB 3.3Å; V141-K144 WeakPolarHBondContact O-CB 3.47Å; V141-K144 PolarHBondContact O-N 3.31Å; V141-K144 VanDerWaalsContact O-N 3.11Å; L142-K144 PolarHBondContact O-N 2.86Å; K144-L146 PolarHBondContact O-N 3.12Å; K144-T150 HydrophobicContact CB-CG2 4.45Å; K144-T150 HydrophobicContact CD-CG2 4.31Å |
| 145 | K | 84.7 | Confident | 88.3 | Confident | 127 Ų | 127 | 55 Ų | 55 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | trans | -61.6 | 129.5 | 172 | -171.2 | 178.5 | -178.3 | 176.4 | 0 | 109.4 | S147 T150 | K145-S147 PolarHBondContact O-N 2.94Å; K145-S147 PolarHBondContact O-OG 2.66Å; K145-T150 PolarHBondContact O-OG1 2.75Å | ||
| 146 | L | 85.3 | Confident | 88.3 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | trans | -72.1 | 68.6 | 176.4 | -58.9 | -179.8 | 0 | 0 | 0 | 111.5 | V141 K144 F172 F175 K176 F179 A214 | V141-L146 HydrophobicContact CG1-CD2 4.24Å; K144-L146 PolarHBondContact O-N 3.12Å; L146-F172 HydrophobicContact CB-CZ 4.47Å; L146-F172 HydrophobicContact CD2-CD2 4.45Å; L146-F172 HydrophobicContact CD2-CE2 3.86Å; L146-F172 HydrophobicContact CD2-CZ 4.49Å; L146-F175 HydrophobicContact CD1-CB 4.13Å; L146-F175 HydrophobicContact CD2-CB 4.39Å; L146-K176 HydrophobicContact CB-CG 3.97Å; L146-F179 HydrophobicContact CD1-CB 3.95Å; L146-F179 HydrophobicContact CD1-CD2 4.13Å; L146-F179 HydrophobicContact CD1-CG 4.08Å; L146-A214 HydrophobicContact CD1-CB 4.16Å; L146-A214 HydrophobicContact CG-CB 4.09Å | ||
| 147 | S | 85.1 | Confident | 88.2 | Confident | 39 Ų | 39 | 55.4 Ų | 55.4 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -114.4 | 173.8 | -167.3 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | K145 G149 K151 | K145-S147 PolarHBondContact O-N 2.94Å; K145-S147 PolarHBondContact O-OG 2.66Å; S147-G149 PolarHBondContact O-N 3.37Å; S147-G149 PolarHBondContact OG-N 3.22Å; S147-K151 PolarHBondContact O-N 3.3Å |
| 148 | K | 75.5 | Confident | 88.2 | Confident | 183 Ų | 183 | 55.8 Ų | 55.8 | 80% | 0.796 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -60.8 | -25.7 | 169.9 | -69.3 | -174.8 | -179.3 | 179.4 | 0 | 112.7 | ||
| 149 | G | 78.3 | Confident | 88.2 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -58.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | S147 K151 K152 | S147-G149 PolarHBondContact O-N 3.37Å; S147-G149 PolarHBondContact OG-N 3.22Å; G149-K151 PolarHBondContact O-N 3.06Å; G149-K151 VanDerWaalsContact O-N 3.07Å; G149-K152 WeakPolarHBondContact O-CB 3.38Å; G149-K152 PolarHBondContact O-N 2.82Å |
| 150 | T | 78.7 | Confident | 88.1 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.2 | -31.7 | 177.1 | -40.5 | 0 | 0 | 0 | 0 | 112.8 | V141 K144 K145 K152 D153 F172 | V141-T150 HydrophobicContact CG1-CG2 4.18Å; K144-T150 HydrophobicContact CB-CG2 4.45Å; K144-T150 HydrophobicContact CD-CG2 4.31Å; K145-T150 PolarHBondContact O-OG1 2.75Å; T150-K152 VanDerWaalsContact C-N 3.28Å; T150-K152 PolarHBondContact O-N 3.16Å; T150-D153 PolarHBondContact O-N 3.4Å; T150-F172 HydrophobicContact CG2-CE2 3.69Å; T150-F172 HydrophobicContact CG2-CZ 4.24Å |
| 151 | K | 80.8 | Confident | 88.2 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.3 | -28.2 | 175.5 | -168.9 | 161.1 | -172.7 | 154 | 0 | 113.4 | S147 G149 L154 F172 D173 | S147-K151 PolarHBondContact O-N 3.3Å; G149-K151 PolarHBondContact O-N 3.06Å; G149-K151 VanDerWaalsContact O-N 3.07Å; K151-L154 HydrophobicContact CG-CD1 4.11Å; K151-L154 WeakPolarHBondContact O-CG 3.16Å; K151-F172 HydrophobicContact CB-CD1 4.43Å; K151-F172 HydrophobicContact CB-CE1 3.9Å; K151-F172 HydrophobicContact CD-CD1 4.49Å; K151-F172 HydrophobicContact CD-CE1 4.42Å; K151-F172 HydrophobicContact CG-CD1 4.47Å; K151-F172 HydrophobicContact CG-CE1 4.37Å; K151-D173 VanDerWaalsContact NZ-CG 3.27Å; K151-D173 IonicContact NZ-OD1 2.78Å; K151-D173 PolarHBondContact NZ-OD1 2.79Å; K151-D173 IonicContact NZ-OD2 2.79Å; K151-D173 PolarHBondContact NZ-OD2 3.34Å |
| 152 | K | 85.4 | Confident | 88.3 | Confident | 171 Ų | 171 | 66.6 Ų | 66.6 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -75.2 | -33.9 | 176.9 | -67.4 | 179.9 | 178 | -172.7 | 0 | 111.8 | G149 T150 L154 | G149-K152 WeakPolarHBondContact O-CB 3.38Å; G149-K152 PolarHBondContact O-N 2.82Å; T150-K152 VanDerWaalsContact C-N 3.28Å; T150-K152 PolarHBondContact O-N 3.16Å; K152-L154 PolarHBondContact O-N 3.47Å |
| 153 | D | 90.1 | Very high | 88.5 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 0.5 | -177.2 | -49.2 | -24.5 | 0 | 0 | 0 | 112.9 | T150 D155 D156 I157 | T150-D153 PolarHBondContact O-N 3.4Å; D153-D155 PolarHBondContact O-N 3.27Å; D153-D156 PolarHBondContact O-N 3.38Å; D153-I157 HydrophobicContact CB-CD1 4.48Å; D153-I157 WeakPolarHBondContact O-CG1 3.48Å; D153-I157 PolarHBondContact O-N 2.91Å |
| 154 | L | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -24.8 | -177.6 | -67.4 | -177.9 | 0 | 0 | 0 | 113.4 | F137 K151 K152 G158 L165 C168 R169 F172 | F137-L154 HydrophobicContact CE2-CD2 3.77Å; F137-L154 HydrophobicContact CZ-CD2 3.68Å; K151-L154 HydrophobicContact CG-CD1 4.11Å; K151-L154 WeakPolarHBondContact O-CG 3.16Å; K152-L154 PolarHBondContact O-N 3.47Å; L154-G158 PolarHBondContact O-N 3.13Å; L154-L165 HydrophobicContact CB-CD1 3.92Å; L154-C168 HydrophobicContact CB-CB 4.45Å; L154-R169 HydrophobicContact CD1-CG 3.97Å; L154-F172 HydrophobicContact CD1-CB 4.07Å; L154-F172 HydrophobicContact CD1-CD1 4.37Å; L154-F172 HydrophobicContact CD1-CG 4.22Å; L154-F172 HydrophobicContact CD2-CB 4.33Å; L154-F172 HydrophobicContact CD2-CD2 4.32Å; L154-F172 HydrophobicContact CD2-CG 4.36Å |
| 155 | D | 93.1 | Very high | 89.5 | Confident | 99 Ų | 99 | 67.4 Ų | 67.4 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -49.1 | 176.3 | -159.2 | 23.6 | 0 | 0 | 0 | 110.6 | D153 I157 G158 A159 L165 | D153-D155 PolarHBondContact O-N 3.27Å; D155-I157 PolarHBondContact O-N 3.21Å; D155-G158 PolarHBondContact O-N 2.92Å; D155-A159 PolarHBondContact O-N 3.27Å; D155-L165 HydrophobicContact CB-CD1 4.38Å |
| 156 | D | 94.2 | Very high | 90 | Very high | 119 Ų | 119 | 65.7 Ų | 65.7 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 175.5 | -63.7 | -24.5 | 0 | 0 | 0 | 111.9 | D153 A159 K160 | D153-D156 PolarHBondContact O-N 3.38Å; D156-A159 PolarHBondContact O-N 3.16Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.22Å |
| 157 | I | 93.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 6% | 0.056 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 176.5 | -64.6 | 170.2 | 0 | 0 | 0 | 110.4 | F137 E140 V141 D153 D155 K160 T161 | F137-I157 HydrophobicContact CD2-CG2 3.65Å; F137-I157 HydrophobicContact CE2-CG2 3.8Å; E140-I157 HydrophobicContact CB-CG1 4.46Å; E140-I157 HydrophobicContact CB-CG2 3.76Å; E140-I157 HydrophobicContact CG-CG2 4.26Å; V141-I157 HydrophobicContact CG2-CD1 4.03Å; D153-I157 HydrophobicContact CB-CD1 4.48Å; D153-I157 WeakPolarHBondContact O-CG1 3.48Å; D153-I157 PolarHBondContact O-N 2.91Å; D155-I157 PolarHBondContact O-N 3.21Å; I157-K160 PolarHBondContact O-N 2.89Å; I157-T161 HydrophobicContact CG2-CG2 4.18Å; I157-T161 WeakPolarHBondContact O-CB 3.47Å; I157-T161 WeakPolarHBondContact O-CG2 3.46Å; I157-T161 PolarHBondContact O-N 2.95Å; I157-T161 PolarHBondContact O-OG1 2.76Å |
| 158 | G | 94.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L154 D155 K160 T161 G162 V163 | L154-G158 PolarHBondContact O-N 3.13Å; D155-G158 PolarHBondContact O-N 2.92Å; G158-K160 VanDerWaalsContact C-N 3.3Å; G158-K160 PolarHBondContact O-N 3.25Å; G158-T161 PolarHBondContact O-N 2.79Å; G158-T161 PolarHBondContact O-OG1 3.21Å; G158-G162 WeakPolarHBondContact O-CA 3.43Å; G158-G162 PolarHBondContact O-N 2.98Å; G158-V163 CarbonylContact C-O 3.59Å; G158-V163 WeakPolarHBondContact CA-O 3.25Å; G158-V163 PolarHBondContact O-N 3.06Å |
| 159 | A | 95.5 | Very high | 92.1 | Very high | 85 Ų | 85 | 60 Ų | 60 | 70% | 0.702 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D155 D156 | D155-A159 PolarHBondContact O-N 3.27Å; D156-A159 PolarHBondContact O-N 3.16Å |
| 160 | K | 94.1 | Very high | 93 | Very high | 131 Ų | 131 | 59.4 Ų | 59.4 | 57% | 0.57 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.2 | -38 | 178 | -176.6 | -179.6 | 178 | -174.1 | 0 | 113.2 | E140 D156 I157 G158 | E140-K160 HydrophobicContact CG-CD 4.39Å; E140-K160 VanDerWaalsContact OE1-CE 3.23Å; E140-K160 WeakPolarHBondContact OE1-CE 3.18Å; E140-K160 IonicContact OE1-NZ 2.88Å; E140-K160 PolarHBondContact OE1-NZ 3.43Å; E140-K160 IonicContact OE2-NZ 3.92Å; E140-K160 PolarHBondContact OE2-NZ 3.47Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.22Å; I157-K160 PolarHBondContact O-N 2.89Å; G158-K160 VanDerWaalsContact C-N 3.3Å; G158-K160 PolarHBondContact O-N 3.25Å |
| 161 | T | 95 | Very high | 93.9 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -96.5 | -15.2 | -171.3 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | S136 E140 I157 G158 V163 | S136-T161 WeakPolarHBondContact O-CG2 3.44Å; E140-T161 HydrophobicContact CG-CG2 3.88Å; I157-T161 HydrophobicContact CG2-CG2 4.18Å; I157-T161 WeakPolarHBondContact O-CB 3.47Å; I157-T161 WeakPolarHBondContact O-CG2 3.46Å; I157-T161 PolarHBondContact O-N 2.95Å; I157-T161 PolarHBondContact O-OG1 2.76Å; G158-T161 PolarHBondContact O-N 2.79Å; G158-T161 PolarHBondContact O-OG1 3.21Å; T161-V163 PolarHBondContact O-N 3.14Å; T161-V163 PolarHBondContact OG1-N 3.27Å |
| 162 | G | 94.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 1.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G158 | G158-G162 WeakPolarHBondContact O-CA 3.43Å; G158-G162 PolarHBondContact O-N 2.98Å |
| 163 | V | 96.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | trans | -81.7 | 133 | 177.6 | -176 | 0 | 0 | 0 | 0 | 109.5 | D134 F137 G158 T161 | D134-V163 HydrophobicContact CB-CG2 3.82Å; F137-V163 HydrophobicContact CB-CG2 4.24Å; G158-V163 CarbonylContact C-O 3.59Å; G158-V163 WeakPolarHBondContact CA-O 3.25Å; G158-V163 PolarHBondContact O-N 3.06Å; T161-V163 PolarHBondContact O-N 3.14Å; T161-V163 PolarHBondContact OG1-N 3.27Å | ||
| 164 | T | 96.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | trans | -64.4 | 148.2 | -178.5 | 75.5 | 0 | 0 | 0 | 0 | 111.4 | D59 K166 S167 C168 | D59-T164 WeakPolarHBondContact O-CB 3.24Å; D59-T164 WeakPolarHBondContact O-CG2 3.36Å; D59-T164 PolarHBondContact O-OG1 2.8Å; T164-K166 PolarHBondContact O-N 3.41Å; T164-K166 VanDerWaalsContact O-N 3.14Å; T164-S167 PolarHBondContact O-N 3.22Å; T164-S167 PolarHBondContact OG1-N 3.09Å; T164-C168 PolarHBondContact O-N 3.36Å; T164-C168 PolarHBondContact O-SG 2.79Å; T164-C168 VanDerWaalsContact O-SG 3.36Å | ||
| 165 | L | 95.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.9 | -33.8 | 179.2 | -177.3 | 56.6 | 0 | 0 | 0 | 113.1 | L154 D155 R169 | L154-L165 HydrophobicContact CB-CD1 3.92Å; D155-L165 HydrophobicContact CB-CD1 4.38Å; L165-R169 HydrophobicContact CD1-CG 4.4Å; L165-R169 WeakPolarHBondContact O-CB 3.4Å; L165-R169 VanDerWaalsContact O-CG 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.47Å; L165-R169 PolarHBondContact O-N 3.23Å |
| 166 | K | 95.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -44.4 | 176.7 | -176.8 | 175.8 | 170.7 | -129.1 | 0 | 110.9 | W57 T164 R169 R170 | W57-K166 PolarHBondContact O-NZ 3.2Å; T164-K166 PolarHBondContact O-N 3.41Å; T164-K166 VanDerWaalsContact O-N 3.14Å; K166-R169 PolarHBondContact O-N 3.22Å; K166-R170 PolarHBondContact O-N 3.08Å; K166-R170 VanDerWaalsContact O-N 3.13Å |
| 167 | S | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 175.7 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | L58 T164 R169 R170 Q171 | L58-S167 WeakPolarHBondContact O-CB 3.22Å; T164-S167 PolarHBondContact O-N 3.22Å; T164-S167 PolarHBondContact OG1-N 3.09Å; S167-R169 VanDerWaalsContact C-N 3.29Å; S167-R169 PolarHBondContact O-N 3.01Å; S167-R170 WeakPolarHBondContact O-CB 3.26Å; S167-R170 PolarHBondContact O-N 3.12Å; S167-R170 VanDerWaalsContact O-N 3.07Å; S167-Q171 WeakPolarHBondContact O-CG 3.28Å; S167-Q171 PolarHBondContact O-N 3.37Å; S167-Q171 PolarHBondContact OG-NE2 2.93Å |
| 168 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.6 | -45.2 | 174.4 | -69.8 | 0 | 0 | 0 | 0 | 112.3 | F137 L154 T164 F172 | F137-C168 HydrophobicContact CD2-CB 4.17Å; F137-C168 VanDerWaalsContact CD2-SG 3.55Å; F137-C168 HydrophobicContact CE2-CB 3.58Å; F137-C168 VanDerWaalsContact CE2-SG 3.55Å; F137-C168 HydrophobicContact CZ-CB 3.95Å; F137-C168 WeakPolarHBondContact CZ-O 3.38Å; L154-C168 HydrophobicContact CB-CB 4.45Å; T164-C168 PolarHBondContact O-N 3.36Å; T164-C168 PolarHBondContact O-SG 2.79Å; T164-C168 VanDerWaalsContact O-SG 3.36Å; C168-F172 VanDerWaalsContact O-CB 3.26Å; C168-F172 WeakPolarHBondContact O-CB 3.39Å; C168-F172 PolarHBondContact O-N 3.29Å |
| 169 | R | 95.7 | Very high | 95.6 | Very high | 130 Ų | 130 | 43 Ų | 43 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.5 | -75.4 | 172.1 | -179 | -175.6 | 3.3 | 112 | L154 L165 K166 S167 D173 | L154-R169 HydrophobicContact CD1-CG 3.97Å; L165-R169 HydrophobicContact CD1-CG 4.4Å; L165-R169 WeakPolarHBondContact O-CB 3.4Å; L165-R169 VanDerWaalsContact O-CG 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.47Å; L165-R169 PolarHBondContact O-N 3.23Å; K166-R169 PolarHBondContact O-N 3.22Å; S167-R169 VanDerWaalsContact C-N 3.29Å; S167-R169 PolarHBondContact O-N 3.01Å; R169-D173 VanDerWaalsContact O-CB 3.31Å; R169-D173 WeakPolarHBondContact O-CB 3.46Å; R169-D173 PolarHBondContact O-N 2.96Å |
| 170 | R | 96.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 45 Ų | 45 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -53.8 | 176.3 | -173.6 | -163.8 | 80.1 | -130.2 | 5.2 | 110.8 | L58 Y130 A132 K166 S167 F172 D173 N174 | L58-R170 PolarHBondContact O-NH1 3Å; Y130-R170 HydrophobicContact CE2-CG 4Å; Y130-R170 PolarHBondContact O-NE 3.05Å; A132-R170 PolarHBondContact O-NH2 3.04Å; K166-R170 PolarHBondContact O-N 3.08Å; K166-R170 VanDerWaalsContact O-N 3.13Å; S167-R170 WeakPolarHBondContact O-CB 3.26Å; S167-R170 PolarHBondContact O-N 3.12Å; S167-R170 VanDerWaalsContact O-N 3.07Å; R170-F172 PolarHBondContact O-N 3.48Å; R170-D173 PolarHBondContact O-N 3.02Å; R170-N174 WeakPolarHBondContact O-CB 3.48Å; R170-N174 VanDerWaalsContact O-CG 3.25Å; R170-N174 PolarHBondContact O-N 3.35Å |
| 171 | Q | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | -178.2 | -65.9 | 178.4 | 44 | 0 | 0 | 111.2 | F133 D134 F137 S167 D173 N174 F175 | F133-Q171 VanDerWaalsContact CA-OE1 3.29Å; F133-Q171 HydrophobicContact CB-CB 4.28Å; F133-Q171 HydrophobicContact CB-CG 3.87Å; D134-Q171 PolarHBondContact OD2-NE2 3.33Å; F137-Q171 HydrophobicContact CD1-CB 3.89Å; F137-Q171 HydrophobicContact CE1-CB 3.63Å; S167-Q171 WeakPolarHBondContact O-CG 3.28Å; S167-Q171 PolarHBondContact O-N 3.37Å; S167-Q171 PolarHBondContact OG-NE2 2.93Å; Q171-D173 PolarHBondContact O-N 3.09Å; Q171-N174 WeakPolarHBondContact O-CB 3.41Å; Q171-N174 PolarHBondContact O-N 2.89Å; Q171-F175 HydrophobicContact CB-CE2 4.24Å; Q171-F175 HydrophobicContact CB-CZ 4.08Å; Q171-F175 WeakPolarHBondContact O-CD2 3.33Å; Q171-F175 VanDerWaalsContact O-CG 3.29Å; Q171-F175 WeakPolarHBondContact O-CG 3.07Å; Q171-F175 PolarHBondContact O-N 3.43Å |
| 172 | F | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.2 | -173.7 | -99.2 | 0 | 0 | 0 | 113.2 | F137 V141 L146 T150 K151 L154 C168 R170 N174 F175 K176 | F137-F172 HydrophobicContact CZ-CB 4.25Å; V141-F172 HydrophobicContact CG1-CD2 4.04Å; V141-F172 HydrophobicContact CG1-CE2 4.1Å; L146-F172 HydrophobicContact CB-CZ 4.47Å; L146-F172 HydrophobicContact CD2-CD2 4.45Å; L146-F172 HydrophobicContact CD2-CE2 3.86Å; L146-F172 HydrophobicContact CD2-CZ 4.49Å; T150-F172 HydrophobicContact CG2-CE2 3.69Å; T150-F172 HydrophobicContact CG2-CZ 4.24Å; K151-F172 HydrophobicContact CB-CD1 4.43Å; K151-F172 HydrophobicContact CB-CE1 3.9Å; K151-F172 HydrophobicContact CD-CD1 4.49Å; K151-F172 HydrophobicContact CD-CE1 4.42Å; K151-F172 HydrophobicContact CG-CD1 4.47Å; K151-F172 HydrophobicContact CG-CE1 4.37Å; L154-F172 HydrophobicContact CD1-CB 4.07Å; L154-F172 HydrophobicContact CD1-CD1 4.37Å; L154-F172 HydrophobicContact CD1-CG 4.22Å; L154-F172 HydrophobicContact CD2-CB 4.33Å; L154-F172 HydrophobicContact CD2-CD2 4.32Å; L154-F172 HydrophobicContact CD2-CG 4.36Å; C168-F172 VanDerWaalsContact O-CB 3.26Å; C168-F172 WeakPolarHBondContact O-CB 3.39Å; C168-F172 PolarHBondContact O-N 3.29Å; R170-F172 PolarHBondContact O-N 3.48Å; F172-N174 VanDerWaalsContact C-N 3.3Å; F172-N174 PolarHBondContact O-N 3.02Å; F172-F175 PolarHBondContact O-N 2.68Å; F172-K176 HydrophobicContact CD1-CD 4.05Å; F172-K176 HydrophobicContact CE1-CD 3.56Å; F172-K176 HydrophobicContact CE1-CG 4.16Å; F172-K176 HydrophobicContact CZ-CD 4.22Å; F172-K176 HydrophobicContact CZ-CG 4.5Å; F172-K176 PolarHBondContact O-N 3.19Å |
| 173 | D | 95.5 | Very high | 94.7 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69 | -30.3 | 177.8 | -73.7 | -26.3 | 0 | 0 | 0 | 111.3 | K151 R169 R170 Q171 R177 | K151-D173 VanDerWaalsContact NZ-CG 3.27Å; K151-D173 IonicContact NZ-OD1 2.78Å; K151-D173 PolarHBondContact NZ-OD1 2.79Å; K151-D173 IonicContact NZ-OD2 2.79Å; K151-D173 PolarHBondContact NZ-OD2 3.34Å; R169-D173 VanDerWaalsContact O-CB 3.31Å; R169-D173 WeakPolarHBondContact O-CB 3.46Å; R169-D173 PolarHBondContact O-N 2.96Å; R170-D173 PolarHBondContact O-N 3.02Å; Q171-D173 PolarHBondContact O-N 3.09Å; D173-R177 WeakPolarHBondContact O-CB 3.44Å; D173-R177 PolarHBondContact O-N 3.5Å |
| 174 | N | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -45.5 | 169.7 | -70.8 | -13.3 | 0 | 0 | 0 | 111.8 | Y130 Y131 R170 Q171 F172 K176 R177 V178 Y207 | Y130-N174 WeakPolarHBondContact CE1-OD1 3.27Å; Y130-N174 PolarHBondContact O-ND2 2.67Å; Y131-N174 HydrophobicContact CD1-CB 4.02Å; Y131-N174 HydrophobicContact CE1-CB 4.09Å; R170-N174 WeakPolarHBondContact O-CB 3.48Å; R170-N174 VanDerWaalsContact O-CG 3.25Å; R170-N174 PolarHBondContact O-N 3.35Å; Q171-N174 WeakPolarHBondContact O-CB 3.41Å; Q171-N174 PolarHBondContact O-N 2.89Å; F172-N174 VanDerWaalsContact C-N 3.3Å; F172-N174 PolarHBondContact O-N 3.02Å; N174-K176 VanDerWaalsContact C-N 3.3Å; N174-K176 PolarHBondContact O-N 2.74Å; N174-R177 PolarHBondContact O-N 2.91Å; N174-R177 VanDerWaalsContact O-N 3.09Å; N174-R177 PolarHBondContact OD1-NH1 3.24Å; N174-R177 PolarHBondContact OD1-NH2 3.12Å; N174-V178 WeakPolarHBondContact O-CG2 3.47Å; N174-V178 PolarHBondContact O-N 3.5Å; N174-Y207 WeakPolarHBondContact CB-OH 3.23Å |
| 175 | F | 96.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56 | -46.6 | 174.8 | -56.7 | -35.2 | 0 | 0 | 0 | 111.5 | F133 F137 V138 L146 Q171 F172 R177 V178 F179 Y207 I210 | F133-F175 HydrophobicContact CB-CE1 4.22Å; F133-F175 HydrophobicContact CB-CZ 3.88Å; F133-F175 AromaticContact CD1-CE1 3.6Å; F133-F175 HydrophobicContact CD1-CE1 3.6Å; F133-F175 HydrophobicContact CD1-CZ 4.07Å; F133-F175 HydrophobicContact CE1-CE1 4.04Å; F133-F175 AromaticContact CG-CE1 3.97Å; F133-F175 HydrophobicContact CG-CE1 3.97Å; F133-F175 AromaticContact CG-CZ 3.95Å; F133-F175 HydrophobicContact CG-CZ 3.95Å; F137-F175 HydrophobicContact CD1-CE2 4.12Å; F137-F175 AromaticContact CE1-CE2 3.73Å; F137-F175 HydrophobicContact CE1-CE2 3.73Å; F137-F175 HydrophobicContact CE1-CZ 4.46Å; V138-F175 HydrophobicContact CG2-CE1 4.2Å; V138-F175 HydrophobicContact CG2-CE2 3.88Å; V138-F175 HydrophobicContact CG2-CZ 3.35Å; L146-F175 HydrophobicContact CD1-CB 4.13Å; L146-F175 HydrophobicContact CD2-CB 4.39Å; Q171-F175 HydrophobicContact CB-CE2 4.24Å; Q171-F175 HydrophobicContact CB-CZ 4.08Å; Q171-F175 WeakPolarHBondContact O-CD2 3.33Å; Q171-F175 VanDerWaalsContact O-CG 3.29Å; Q171-F175 WeakPolarHBondContact O-CG 3.07Å; Q171-F175 PolarHBondContact O-N 3.43Å; F172-F175 PolarHBondContact O-N 2.68Å; F175-R177 VanDerWaalsContact C-N 3.31Å; F175-R177 PolarHBondContact O-N 2.8Å; F175-V178 PolarHBondContact O-N 3.34Å; F175-F179 VanDerWaalsContact O-CB 3.23Å; F175-F179 WeakPolarHBondContact O-CB 3.31Å; F175-F179 PolarHBondContact O-N 2.9Å; F175-Y207 HydrophobicContact CD1-CD1 4.02Å; F175-Y207 AromaticContact CD1-CE1 3.4Å; F175-Y207 HydrophobicContact CD1-CE1 3.4Å; F175-Y207 VanDerWaalsContact CD1-CE1 3.4Å; F175-Y207 HydrophobicContact CE1-CD1 4.5Å; F175-Y207 AromaticContact CE1-CE1 3.79Å; F175-Y207 HydrophobicContact CE1-CE1 3.79Å; F175-I210 HydrophobicContact CB-CG2 4.33Å; F175-I210 HydrophobicContact CD1-CD1 3.77Å; F175-I210 HydrophobicContact CD1-CG2 4.12Å; F175-I210 HydrophobicContact CE1-CD1 3.49Å; F175-I210 VanDerWaalsContact CE1-CD1 3.49Å; F175-I210 HydrophobicContact CG-CG2 4.12Å; F175-I210 HydrophobicContact CZ-CD1 4.07Å |
| 176 | K | 94.6 | Very high | 92.8 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 176.3 | -79.1 | -175.6 | 66.9 | -159 | 0 | 113 | L146 F172 N174 K180 | L146-K176 HydrophobicContact CB-CG 3.97Å; F172-K176 HydrophobicContact CD1-CD 4.05Å; F172-K176 HydrophobicContact CE1-CD 3.56Å; F172-K176 HydrophobicContact CE1-CG 4.16Å; F172-K176 HydrophobicContact CZ-CD 4.22Å; F172-K176 HydrophobicContact CZ-CG 4.5Å; F172-K176 PolarHBondContact O-N 3.19Å; N174-K176 VanDerWaalsContact C-N 3.3Å; N174-K176 PolarHBondContact O-N 2.74Å; K176-K180 WeakPolarHBondContact O-CB 3.27Å; K176-K180 PolarHBondContact O-N 3.44Å |
| 177 | R | 95 | Very high | 92.1 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 19% | 0.185 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -47.2 | -179.7 | -165.4 | 179.6 | -49.7 | 109.4 | 15.9 | 110.9 | Q105 Y131 D173 N174 F175 K180 V181 F197 | Q105-R177 WeakPolarHBondContact O-CD 3.43Å; Q105-R177 PolarHBondContact O-NE 3.38Å; Y131-R177 PolarHBondContact OH-NH1 3.21Å; D173-R177 WeakPolarHBondContact O-CB 3.44Å; D173-R177 PolarHBondContact O-N 3.5Å; N174-R177 PolarHBondContact O-N 2.91Å; N174-R177 VanDerWaalsContact O-N 3.09Å; N174-R177 PolarHBondContact OD1-NH1 3.24Å; N174-R177 PolarHBondContact OD1-NH2 3.12Å; F175-R177 VanDerWaalsContact C-N 3.31Å; F175-R177 PolarHBondContact O-N 2.8Å; R177-K180 PolarHBondContact O-N 3.17Å; R177-V181 WeakPolarHBondContact O-CG2 3.31Å; R177-V181 PolarHBondContact O-N 2.78Å; R177-V181 VanDerWaalsContact O-N 3.09Å; R177-F197 HydrophobicContact CG-CE1 4.16Å; R177-F197 HydrophobicContact CG-CZ 4.39Å |
| 178 | V | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -51.5 | 176.5 | 177 | 0 | 0 | 0 | 0 | 110.1 | Y131 N174 F175 K180 V181 V182 I193 F197 Y207 V211 | Y131-V178 HydrophobicContact CD1-CG2 4.26Å; Y131-V178 HydrophobicContact CE1-CG2 3.91Å; N174-V178 WeakPolarHBondContact O-CG2 3.47Å; N174-V178 PolarHBondContact O-N 3.5Å; F175-V178 PolarHBondContact O-N 3.34Å; V178-K180 VanDerWaalsContact C-N 3.35Å; V178-K180 PolarHBondContact O-N 3.25Å; V178-V181 PolarHBondContact O-N 2.77Å; V178-V181 VanDerWaalsContact O-N 3.16Å; V178-V182 HydrophobicContact CG1-CG1 4.34Å; V178-V182 WeakPolarHBondContact O-CG1 3.49Å; V178-V182 VanDerWaalsContact O-CG2 3.29Å; V178-V182 WeakPolarHBondContact O-CG2 3.23Å; V178-V182 PolarHBondContact O-N 3.02Å; V178-I193 HydrophobicContact CG1-CD1 4.08Å; V178-I193 HydrophobicContact CG1-CG1 3.86Å; V178-I193 HydrophobicContact CG1-CG2 4.36Å; V178-F197 HydrophobicContact CB-CE2 4.11Å; V178-F197 HydrophobicContact CB-CZ 4.2Å; V178-F197 HydrophobicContact CG1-CD2 4.48Å; V178-F197 HydrophobicContact CG1-CE2 4.12Å; V178-F197 HydrophobicContact CG2-CD1 4.24Å; V178-F197 HydrophobicContact CG2-CD2 4.06Å; V178-F197 HydrophobicContact CG2-CE1 4.01Å; V178-F197 HydrophobicContact CG2-CE2 3.82Å; V178-F197 HydrophobicContact CG2-CG 4.26Å; V178-F197 HydrophobicContact CG2-CZ 3.79Å; V178-Y207 HydrophobicContact CB-CD1 3.88Å; V178-Y207 HydrophobicContact CB-CE1 4.2Å; V178-Y207 HydrophobicContact CG1-CD1 3.95Å; V178-Y207 HydrophobicContact CG1-CG 4.41Å; V178-Y207 HydrophobicContact CG2-CD1 3.68Å; V178-Y207 HydrophobicContact CG2-CE1 3.67Å; V178-Y207 HydrophobicContact CG2-CG 4.38Å; V178-V211 HydrophobicContact CG1-CG2 4.15Å |
| 179 | F | 92.6 | Very high | 91.1 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.1 | -50.6 | 178.1 | -172.5 | -85.3 | 0 | 0 | 0 | 112.3 | L146 F175 V181 V182 E183 V211 A214 N215 | L146-F179 HydrophobicContact CD1-CB 3.95Å; L146-F179 HydrophobicContact CD1-CD2 4.13Å; L146-F179 HydrophobicContact CD1-CG 4.08Å; F175-F179 VanDerWaalsContact O-CB 3.23Å; F175-F179 WeakPolarHBondContact O-CB 3.31Å; F175-F179 PolarHBondContact O-N 2.9Å; F179-V181 PolarHBondContact O-N 3.46Å; F179-V182 PolarHBondContact O-N 2.8Å; F179-E183 WeakPolarHBondContact CE1-OE2 3.37Å; F179-E183 WeakPolarHBondContact O-CB 3.36Å; F179-E183 PolarHBondContact O-N 3.06Å; F179-V211 HydrophobicContact CB-CG2 4.29Å; F179-V211 HydrophobicContact CD2-CB 4.23Å; F179-V211 HydrophobicContact CD2-CG1 3.83Å; F179-V211 HydrophobicContact CD2-CG2 4.18Å; F179-V211 HydrophobicContact CE2-CG1 4.16Å; F179-A214 HydrophobicContact CD2-CB 4.07Å; F179-A214 HydrophobicContact CE2-CB 3.87Å; F179-N215 HydrophobicContact CE2-CB 4.34Å |
| 180 | K | 92.1 | Very high | 90.9 | Very high | 127 Ų | 127 | 45.1 Ų | 45.1 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.5 | -38 | -178.9 | -172.9 | -177.9 | 179.2 | -167.9 | 0 | 113 | K176 R177 V178 E183 | K176-K180 WeakPolarHBondContact O-CB 3.27Å; K176-K180 PolarHBondContact O-N 3.44Å; R177-K180 PolarHBondContact O-N 3.17Å; V178-K180 VanDerWaalsContact C-N 3.35Å; V178-K180 PolarHBondContact O-N 3.25Å; K180-E183 WeakPolarHBondContact O-CG 3.35Å |
| 181 | V | 91.8 | Very high | 90.7 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 28% | 0.279 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 179.8 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | R177 V178 F179 E184 L185 H196 F197 | R177-V181 WeakPolarHBondContact O-CG2 3.31Å; R177-V181 PolarHBondContact O-N 2.78Å; R177-V181 VanDerWaalsContact O-N 3.09Å; V178-V181 PolarHBondContact O-N 2.77Å; V178-V181 VanDerWaalsContact O-N 3.16Å; F179-V181 PolarHBondContact O-N 3.46Å; V181-E184 PolarHBondContact O-N 3.28Å; V181-L185 HydrophobicContact CG1-CD1 3.91Å; V181-L185 WeakPolarHBondContact O-CG 3.37Å; V181-H196 HydrophobicContact CG1-CB 4.22Å; V181-F197 HydrophobicContact CB-CE2 3.95Å; V181-F197 HydrophobicContact CB-CZ 3.83Å; V181-F197 HydrophobicContact CG1-CE2 3.99Å; V181-F197 HydrophobicContact CG1-CZ 4.21Å; V181-F197 HydrophobicContact CG2-CE2 4.39Å; V181-F197 HydrophobicContact CG2-CZ 3.79Å |
| 182 | V | 90.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -81.8 | -19.9 | -173.6 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | V178 F179 E184 L185 L189 N192 I193 V211 | V178-V182 HydrophobicContact CG1-CG1 4.34Å; V178-V182 WeakPolarHBondContact O-CG1 3.49Å; V178-V182 VanDerWaalsContact O-CG2 3.29Å; V178-V182 WeakPolarHBondContact O-CG2 3.23Å; V178-V182 PolarHBondContact O-N 3.02Å; F179-V182 PolarHBondContact O-N 2.8Å; V182-E184 PolarHBondContact O-N 3.38Å; V182-L185 PolarHBondContact O-N 3.4Å; V182-L189 HydrophobicContact CB-CD1 3.72Å; V182-L189 HydrophobicContact CG1-CD1 4.24Å; V182-L189 HydrophobicContact CG2-CD1 3.55Å; V182-N192 HydrophobicContact CG1-CB 4.46Å; V182-I193 HydrophobicContact CG1-CG1 3.69Å; V182-V211 HydrophobicContact CG2-CG1 3.83Å; V182-V211 HydrophobicContact CG2-CG2 4.1Å |
| 183 | E | 86.1 | Confident | 90.4 | Very high | 94 Ų | 94 | 48.3 Ų | 48.3 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.2 | 172.9 | 84.3 | -173.1 | 169.8 | 0 | 0 | 112.9 | F179 K180 M256 | F179-E183 WeakPolarHBondContact CE1-OE2 3.37Å; F179-E183 WeakPolarHBondContact O-CB 3.36Å; F179-E183 PolarHBondContact O-N 3.06Å; K180-E183 WeakPolarHBondContact O-CG 3.35Å; E183-M256 VanDerWaalsContact C-CE 3.49Å; E183-M256 WeakPolarHBondContact O-CE 3.27Å |
| 184 | E | 83.8 | Confident | 90.4 | Very high | 141 Ų | 141 | 50.1 Ų | 50.1 | 66% | 0.659 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -6.6 | 178.5 | -63 | 179 | 177.9 | 0 | 0 | 112.4 | V181 V182 | V181-E184 PolarHBondContact O-N 3.28Å; V182-E184 PolarHBondContact O-N 3.38Å |
| 185 | L | 84 | Confident | 90.2 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | trans | -101.8 | 141.3 | -174.2 | -65 | 172.7 | 0 | 0 | 0 | 112 | V181 V182 N192 H196 M256 | V181-L185 HydrophobicContact CG1-CD1 3.91Å; V181-L185 WeakPolarHBondContact O-CG 3.37Å; V182-L185 PolarHBondContact O-N 3.4Å; L185-N192 HydrophobicContact CD1-CB 4.07Å; L185-H196 VanDerWaalsContact CD1-CD2 3.43Å; L185-H196 WeakPolarHBondContact CD1-CD2 3.29Å; L185-H196 VanDerWaalsContact CD1-NE2 3.35Å; L185-H196 WeakPolarHBondContact CD1-NE2 3.38Å; L185-M256 WeakPolarHBondContact O-CE 3.33Å | ||
| 186 | K | 80.1 | Confident | 90 | Very high | 117 Ų | 117 | 60 Ų | 60 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | trans | -88.4 | 157.7 | 172.3 | -61.9 | -172.9 | 172 | -157.8 | 0 | 111.1 | N192 E254 | K186-N192 PolarHBondContact O-ND2 3.24Å; K186-E254 HydrophobicContact CD-CB 4.36Å; K186-E254 WeakPolarHBondContact CD-O 3.5Å; K186-E254 WeakPolarHBondContact CE-O 3.26Å; K186-E254 PolarHBondContact NZ-O 3.2Å; K186-E254 IonicContact NZ-OE2 2.74Å; K186-E254 PolarHBondContact NZ-OE2 2.89Å | ||
| 187 | G | 79.8 | Confident | 90 | Very high | 26 Ų | 26 | 56.2 Ų | 56.2 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 83.1 | -173.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L189 N192 D257 | G187-L189 PolarHBondContact O-N 2.82Å; G187-N192 PolarHBondContact O-ND2 3.33Å; G187-N192 VanDerWaalsContact O-ND2 3.11Å; G187-D257 WeakPolarHBondContact CA-OD2 3.43Å; G187-D257 VanDerWaalsContact O-OD2 3.08Å |
| 188 | P | 84.7 | Confident | 90 | Very high | 75 Ų | 75 | 57.7 Ų | 57.7 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | trans | -61.2 | 120.8 | -161.7 | -27.5 | 35 | 0 | 0 | 0 | 113 | V190 E191 N192 D257 | P188-V190 VanDerWaalsContact C-N 3.29Å; P188-V190 PolarHBondContact O-N 3.36Å; P188-E191 HydrophobicContact CB-CB 4.29Å; P188-E191 HydrophobicContact CB-CG 4.36Å; P188-E191 PolarHBondContact O-N 3.17Å; P188-N192 PolarHBondContact O-N 3.5Å; P188-D257 VanDerWaalsContact CA-OD2 3.23Å; P188-D257 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 189 | L | 88.9 | Confident | 90.1 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.9 | -43.6 | -173.9 | -180 | 58.4 | 0 | 0 | 0 | 113.2 | V182 G187 N192 I193 A208 V211 V258 | V182-L189 HydrophobicContact CB-CD1 3.72Å; V182-L189 HydrophobicContact CG1-CD1 4.24Å; V182-L189 HydrophobicContact CG2-CD1 3.55Å; G187-L189 PolarHBondContact O-N 2.82Å; L189-N192 PolarHBondContact O-N 2.96Å; L189-I193 HydrophobicContact CD1-CD1 4.09Å; L189-I193 HydrophobicContact CD1-CG1 4.46Å; L189-I193 HydrophobicContact CG-CD1 4.11Å; L189-I193 WeakPolarHBondContact O-CD1 3.43Å; L189-I193 VanDerWaalsContact O-CG1 3.25Å; L189-I193 WeakPolarHBondContact O-CG1 3.28Å; L189-I193 PolarHBondContact O-N 3.25Å; L189-I193 VanDerWaalsContact O-N 3.08Å; L189-A208 HydrophobicContact CD2-CB 3.79Å; L189-A208 HydrophobicContact CG-CB 3.84Å; L189-V211 HydrophobicContact CD1-CG1 4.23Å; L189-V211 HydrophobicContact CD2-CB 4.35Å; L189-V211 HydrophobicContact CD2-CG1 4.2Å; L189-V258 HydrophobicContact CD1-CG2 4.26Å; L189-V258 HydrophobicContact CD2-CG1 4.46Å; L189-V258 HydrophobicContact CD2-CG2 4.41Å |
| 190 | V | 92.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | -179.8 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | P188 I193 R194 A204 R205 A208 | P188-V190 VanDerWaalsContact C-N 3.29Å; P188-V190 PolarHBondContact O-N 3.36Å; V190-I193 PolarHBondContact O-N 3.13Å; V190-R194 HydrophobicContact CG1-CG 4.49Å; V190-R194 VanDerWaalsContact O-CG 3.32Å; V190-R194 WeakPolarHBondContact O-CG 3.49Å; V190-R194 PolarHBondContact O-N 2.86Å; V190-A204 HydrophobicContact CG1-CB 4.11Å; V190-R205 HydrophobicContact CG1-CG 3.83Å; V190-R205 HydrophobicContact CG2-CG 4.08Å; V190-A208 HydrophobicContact CG2-CB 3.77Å |
| 191 | E | 91.4 | Very high | 90.5 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | -179.6 | -68.3 | -57.3 | 130 | 0 | 0 | 111.5 | P188 I193 R194 Q195 | P188-E191 HydrophobicContact CB-CB 4.29Å; P188-E191 HydrophobicContact CB-CG 4.36Å; P188-E191 PolarHBondContact O-N 3.17Å; E191-I193 VanDerWaalsContact C-N 3.3Å; E191-I193 PolarHBondContact O-N 3.29Å; E191-R194 PolarHBondContact O-N 3.04Å; E191-R194 IonicContact OE1-CZ 3.88Å; E191-R194 IonicContact OE1-NH1 3.53Å; E191-R194 PolarHBondContact OE1-NH1 3.17Å; E191-R194 IonicContact OE2-NH1 2.94Å; E191-Q195 WeakPolarHBondContact O-CB 3.22Å; E191-Q195 VanDerWaalsContact O-CG 3.31Å; E191-Q195 WeakPolarHBondContact O-CG 3.35Å; E191-Q195 PolarHBondContact O-N 3.09Å |
| 192 | N | 92.2 | Very high | 90.7 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 172.5 | -75.6 | -17.5 | 0 | 0 | 0 | 111.6 | V182 L185 K186 G187 P188 L189 H196 | V182-N192 HydrophobicContact CG1-CB 4.46Å; L185-N192 HydrophobicContact CD1-CB 4.07Å; K186-N192 PolarHBondContact O-ND2 3.24Å; G187-N192 PolarHBondContact O-ND2 3.33Å; G187-N192 VanDerWaalsContact O-ND2 3.11Å; P188-N192 PolarHBondContact O-N 3.5Å; L189-N192 PolarHBondContact O-N 2.96Å; N192-H196 WeakPolarHBondContact O-CB 3.17Å; N192-H196 PolarHBondContact O-CD2 2.82Å; N192-H196 VanDerWaalsContact O-CD2 3.26Å; N192-H196 PolarHBondContact O-N 3.36Å; N192-H196 VanDerWaalsContact O-N 3.08Å |
| 193 | I | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 176.8 | -64.9 | 164.4 | 0 | 0 | 0 | 110.8 | V178 V182 L189 V190 E191 Q195 F197 L199 A204 A208 | V178-I193 HydrophobicContact CG1-CD1 4.08Å; V178-I193 HydrophobicContact CG1-CG1 3.86Å; V178-I193 HydrophobicContact CG1-CG2 4.36Å; V182-I193 HydrophobicContact CG1-CG1 3.69Å; L189-I193 HydrophobicContact CD1-CD1 4.09Å; L189-I193 HydrophobicContact CD1-CG1 4.46Å; L189-I193 HydrophobicContact CG-CD1 4.11Å; L189-I193 WeakPolarHBondContact O-CD1 3.43Å; L189-I193 VanDerWaalsContact O-CG1 3.25Å; L189-I193 WeakPolarHBondContact O-CG1 3.28Å; L189-I193 PolarHBondContact O-N 3.25Å; L189-I193 VanDerWaalsContact O-N 3.08Å; V190-I193 PolarHBondContact O-N 3.13Å; E191-I193 VanDerWaalsContact C-N 3.3Å; E191-I193 PolarHBondContact O-N 3.29Å; I193-Q195 PolarHBondContact O-N 2.9Å; I193-F197 HydrophobicContact CG2-CD2 4.32Å; I193-F197 WeakPolarHBondContact O-CB 3.48Å; I193-F197 PolarHBondContact O-N 3.27Å; I193-L199 HydrophobicContact CG2-CD1 3.96Å; I193-A204 HydrophobicContact CB-CB 4.16Å; I193-A204 HydrophobicContact CG2-CB 3.81Å; I193-A208 HydrophobicContact CD1-CB 3.88Å |
| 194 | R | 95.3 | Very high | 91.6 | Very high | 86 Ų | 86 | 54.7 Ų | 54.7 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | -179.7 | -71.6 | 176.4 | 67.8 | -170.1 | -5.1 | 112 | V190 E191 L198 D201 A204 | V190-R194 HydrophobicContact CG1-CG 4.49Å; V190-R194 VanDerWaalsContact O-CG 3.32Å; V190-R194 WeakPolarHBondContact O-CG 3.49Å; V190-R194 PolarHBondContact O-N 2.86Å; E191-R194 PolarHBondContact O-N 3.04Å; E191-R194 IonicContact OE1-CZ 3.88Å; E191-R194 IonicContact OE1-NH1 3.53Å; E191-R194 PolarHBondContact OE1-NH1 3.17Å; E191-R194 IonicContact OE2-NH1 2.94Å; R194-L198 WeakPolarHBondContact O-CA 3.48Å; R194-L198 PolarHBondContact O-N 3.28Å; R194-D201 IonicContact CZ-OD1 2.77Å; R194-D201 IonicContact NE-OD1 2.68Å; R194-D201 IonicContact NH1-OD1 3.38Å; R194-D201 PolarHBondContact NH1-OD1 2.78Å; R194-A204 HydrophobicContact CB-CB 4.5Å; R194-A204 HydrophobicContact CG-CB 3.32Å |
| 195 | Q | 92.9 | Very high | 92.2 | Very high | 128 Ų | 128 | 53.9 Ų | 53.9 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -72.7 | -40.7 | -175.8 | -67.6 | 178.6 | 10.9 | 0 | 0 | 112.3 | E191 I193 | E191-Q195 WeakPolarHBondContact O-CB 3.22Å; E191-Q195 VanDerWaalsContact O-CG 3.31Å; E191-Q195 WeakPolarHBondContact O-CG 3.35Å; E191-Q195 PolarHBondContact O-N 3.09Å; I193-Q195 PolarHBondContact O-N 2.9Å |
| 196 | H | 92.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 38% | 0.384 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -80.2 | -33.6 | -178.1 | -78.8 | -94.1 | 0 | 0 | 0 | 113.8 | V181 L185 N192 | V181-H196 HydrophobicContact CG1-CB 4.22Å; L185-H196 VanDerWaalsContact CD1-CD2 3.43Å; L185-H196 WeakPolarHBondContact CD1-CD2 3.29Å; L185-H196 VanDerWaalsContact CD1-NE2 3.35Å; L185-H196 WeakPolarHBondContact CD1-NE2 3.38Å; N192-H196 WeakPolarHBondContact O-CB 3.17Å; N192-H196 PolarHBondContact O-CD2 2.82Å; N192-H196 VanDerWaalsContact O-CD2 3.26Å; N192-H196 PolarHBondContact O-N 3.36Å; N192-H196 VanDerWaalsContact O-N 3.08Å |
| 197 | F | 94.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -107.3 | -5.4 | -176.3 | -65.2 | -81.7 | 0 | 0 | 0 | 114.1 | P107 I127 Y131 R177 V178 V181 I193 L199 | P107-F197 WeakPolarHBondContact CB-O 3.4Å; P107-F197 HydrophobicContact CG-CB 4.43Å; P107-F197 HydrophobicContact CG-CD1 4.23Å; P107-F197 WeakPolarHBondContact CG-O 3.4Å; I127-F197 WeakPolarHBondContact CG2-O 3.45Å; Y131-F197 AromaticContact CE1-CD1 3.61Å; Y131-F197 HydrophobicContact CE1-CD1 3.61Å; Y131-F197 AromaticContact CE1-CE1 3.98Å; Y131-F197 HydrophobicContact CE1-CE1 3.98Å; Y131-F197 HydrophobicContact CE1-CG 4.4Å; Y131-F197 HydrophobicContact CE2-CD1 4.36Å; Y131-F197 AromaticContact CZ-CD1 3.49Å; Y131-F197 VanDerWaalsContact CZ-CD1 3.49Å; Y131-F197 AromaticContact CZ-CE1 3.94Å; Y131-F197 WeakPolarHBondContact OH-CD1 3.43Å; Y131-F197 VanDerWaalsContact OH-CE1 3.28Å; Y131-F197 WeakPolarHBondContact OH-CE1 3.39Å; R177-F197 HydrophobicContact CG-CE1 4.16Å; R177-F197 HydrophobicContact CG-CZ 4.39Å; V178-F197 HydrophobicContact CB-CE2 4.11Å; V178-F197 HydrophobicContact CB-CZ 4.2Å; V178-F197 HydrophobicContact CG1-CD2 4.48Å; V178-F197 HydrophobicContact CG1-CE2 4.12Å; V178-F197 HydrophobicContact CG2-CD1 4.24Å; V178-F197 HydrophobicContact CG2-CD2 4.06Å; V178-F197 HydrophobicContact CG2-CE1 4.01Å; V178-F197 HydrophobicContact CG2-CE2 3.82Å; V178-F197 HydrophobicContact CG2-CG 4.26Å; V178-F197 HydrophobicContact CG2-CZ 3.79Å; V181-F197 HydrophobicContact CB-CE2 3.95Å; V181-F197 HydrophobicContact CB-CZ 3.83Å; V181-F197 HydrophobicContact CG1-CE2 3.99Å; V181-F197 HydrophobicContact CG1-CZ 4.21Å; V181-F197 HydrophobicContact CG2-CE2 4.39Å; V181-F197 HydrophobicContact CG2-CZ 3.79Å; I193-F197 HydrophobicContact CG2-CD2 4.32Å; I193-F197 WeakPolarHBondContact O-CB 3.48Å; I193-F197 PolarHBondContact O-N 3.27Å; F197-L199 HydrophobicContact CB-CD1 3.92Å; F197-L199 HydrophobicContact CB-CD2 4.27Å; F197-L199 HydrophobicContact CB-CG 3.66Å; F197-L199 PolarHBondContact O-N 2.96Å |
| 198 | L | 94.7 | Very high | 94.5 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | trans | 57 | 34.2 | 178.4 | -51.1 | 177.6 | 0 | 0 | 0 | 113 | P107 I127 R194 | P107-L198 HydrophobicContact CB-CB 4.34Å; P107-L198 HydrophobicContact CB-CD1 4.06Å; P107-L198 HydrophobicContact CB-CG 4.13Å; I127-L198 HydrophobicContact CD1-CB 4.44Å; I127-L198 HydrophobicContact CD1-CD1 4.24Å; R194-L198 WeakPolarHBondContact O-CA 3.48Å; R194-L198 PolarHBondContact O-N 3.28Å | ||
| 199 | L | 96.3 | Very high | 95 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | trans | -87.2 | 155.9 | -178.3 | -55.1 | -178.3 | 0 | 0 | 0 | 111.6 | I127 Y131 I193 F197 L203 Y207 | I127-L199 HydrophobicContact CG2-CD2 3.77Å; Y131-L199 HydrophobicContact CD1-CD1 4.27Å; Y131-L199 HydrophobicContact CD2-CD2 4.02Å; Y131-L199 HydrophobicContact CG-CD1 4.32Å; Y131-L199 HydrophobicContact CG-CD2 3.81Å; I193-L199 HydrophobicContact CG2-CD1 3.96Å; F197-L199 HydrophobicContact CB-CD1 3.92Å; F197-L199 HydrophobicContact CB-CD2 4.27Å; F197-L199 HydrophobicContact CB-CG 3.66Å; F197-L199 PolarHBondContact O-N 2.96Å; L199-L203 HydrophobicContact CB-CB 4.46Å; L199-L203 HydrophobicContact CB-CD2 4.47Å; L199-L203 HydrophobicContact CD1-CD2 4.25Å; L199-L203 HydrophobicContact CD1-CG 4.21Å; L199-L203 HydrophobicContact CD2-CD2 4.11Å; L199-L203 HydrophobicContact CG-CD2 4.5Å; L199-Y207 HydrophobicContact CD1-CD2 3.8Å; L199-Y207 HydrophobicContact CD1-CE2 3.97Å | ||
| 200 | S | 96.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | trans | -57.3 | 154.8 | 168.1 | 75.9 | 0 | 0 | 0 | 0 | 111.6 | E128 K202 L203 A204 | E128-S200 WeakPolarHBondContact OE1-CB 3.09Å; E128-S200 PolarHBondContact OE1-OG 2.64Å; E128-S200 PolarHBondContact OE2-N 3.21Å; S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.99Å; S200-L203 PolarHBondContact O-N 2.99Å; S200-L203 WeakPolarHBondContact OG-CB 3.17Å; S200-L203 PolarHBondContact OG-N 3.33Å; S200-A204 WeakPolarHBondContact O-CB 3.4Å; S200-A204 PolarHBondContact O-N 3.47Å | ||
| 201 | D | 96.8 | Very high | 95.5 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 179.3 | -178.3 | 83.5 | 0 | 0 | 0 | 112.4 | R194 R205 | R194-D201 IonicContact CZ-OD1 2.77Å; R194-D201 IonicContact NE-OD1 2.68Å; R194-D201 IonicContact NH1-OD1 3.38Å; R194-D201 PolarHBondContact NH1-OD1 2.78Å; D201-R205 WeakPolarHBondContact O-CG 3.36Å; D201-R205 PolarHBondContact O-N 2.85Å; D201-R205 VanDerWaalsContact O-N 3.09Å; D201-R205 IonicContact OD1-CZ 3.88Å; D201-R205 IonicContact OD1-NE 3.66Å; D201-R205 IonicContact OD1-NH2 3.11Å; D201-R205 PolarHBondContact OD1-NH2 3.22Å; D201-R205 IonicContact OD2-CZ 2.87Å; D201-R205 IonicContact OD2-NE 2.96Å; D201-R205 PolarHBondContact OD2-NE 3.29Å; D201-R205 IonicContact OD2-NH2 3.56Å; D201-R205 PolarHBondContact OD2-NH2 3.4Å |
| 202 | K | 96.6 | Very high | 95.5 | Very high | 124 Ų | 124 | 38 Ų | 38 | 54% | 0.539 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.9 | -53.9 | 175.8 | -176.6 | -171.2 | 178.2 | -63.7 | 0 | 111.2 | S200 A204 R205 D206 | S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.99Å; K202-A204 VanDerWaalsContact C-N 3.27Å; K202-A204 PolarHBondContact O-N 3.25Å; K202-R205 PolarHBondContact O-N 3.22Å; K202-D206 IonicContact NZ-OD2 2.66Å; K202-D206 PolarHBondContact NZ-OD2 3.45Å; K202-D206 PolarHBondContact O-N 3.07Å |
| 203 | L | 97.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | -175.9 | -173.9 | 57.7 | 0 | 0 | 0 | 111.1 | E128 F133 L199 S200 D206 Y207 | E128-L203 HydrophobicContact CG-CD2 4.49Å; F133-L203 HydrophobicContact CD1-CD1 4.08Å; F133-L203 HydrophobicContact CE1-CD1 3.6Å; F133-L203 HydrophobicContact CZ-CD1 4.21Å; L199-L203 HydrophobicContact CB-CB 4.46Å; L199-L203 HydrophobicContact CB-CD2 4.47Å; L199-L203 HydrophobicContact CD1-CD2 4.25Å; L199-L203 HydrophobicContact CD1-CG 4.21Å; L199-L203 HydrophobicContact CD2-CD2 4.11Å; L199-L203 HydrophobicContact CG-CD2 4.5Å; S200-L203 PolarHBondContact O-N 2.99Å; S200-L203 WeakPolarHBondContact OG-CB 3.17Å; S200-L203 PolarHBondContact OG-N 3.33Å; L203-D206 PolarHBondContact O-N 3.44Å; L203-Y207 HydrophobicContact CD1-CD2 3.95Å; L203-Y207 HydrophobicContact CD1-CE2 3.81Å; L203-Y207 HydrophobicContact CD2-CE2 4.37Å; L203-Y207 HydrophobicContact CG-CD2 3.89Å; L203-Y207 HydrophobicContact CG-CE2 3.9Å; L203-Y207 WeakPolarHBondContact O-CD2 3.27Å; L203-Y207 PolarHBondContact O-N 3.37Å |
| 204 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V190 I193 R194 S200 K202 Y207 A208 | V190-A204 HydrophobicContact CG1-CB 4.11Å; I193-A204 HydrophobicContact CB-CB 4.16Å; I193-A204 HydrophobicContact CG2-CB 3.81Å; R194-A204 HydrophobicContact CB-CB 4.5Å; R194-A204 HydrophobicContact CG-CB 3.32Å; S200-A204 WeakPolarHBondContact O-CB 3.4Å; S200-A204 PolarHBondContact O-N 3.47Å; K202-A204 VanDerWaalsContact C-N 3.27Å; K202-A204 PolarHBondContact O-N 3.25Å; A204-Y207 PolarHBondContact O-N 3.08Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 2.94Å |
| 205 | R | 96.8 | Very high | 95.2 | Very high | 124 Ų | 124 | 36.2 Ų | 36.2 | 47% | 0.468 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64 | -41.4 | 173.2 | -70.2 | 176.4 | -152.3 | -78.1 | 2.2 | 111.8 | V190 D201 K202 A208 A209 | V190-R205 HydrophobicContact CG1-CG 3.83Å; V190-R205 HydrophobicContact CG2-CG 4.08Å; D201-R205 WeakPolarHBondContact O-CG 3.36Å; D201-R205 PolarHBondContact O-N 2.85Å; D201-R205 VanDerWaalsContact O-N 3.09Å; D201-R205 IonicContact OD1-CZ 3.88Å; D201-R205 IonicContact OD1-NE 3.66Å; D201-R205 IonicContact OD1-NH2 3.11Å; D201-R205 PolarHBondContact OD1-NH2 3.22Å; D201-R205 IonicContact OD2-CZ 2.87Å; D201-R205 IonicContact OD2-NE 2.96Å; D201-R205 PolarHBondContact OD2-NE 3.29Å; D201-R205 IonicContact OD2-NH2 3.56Å; D201-R205 PolarHBondContact OD2-NH2 3.4Å; K202-R205 PolarHBondContact O-N 3.22Å; R205-A208 WeakPolarHBondContact O-CB 3.5Å; R205-A208 PolarHBondContact O-N 2.97Å; R205-A209 PolarHBondContact O-N 2.85Å |
| 206 | D | 97.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 178.2 | -64.9 | -21.5 | 0 | 0 | 0 | 110.8 | F133 K202 L203 A209 I210 F230 | F133-D206 HydrophobicContact CZ-CB 3.74Å; K202-D206 IonicContact NZ-OD2 2.66Å; K202-D206 PolarHBondContact NZ-OD2 3.45Å; K202-D206 PolarHBondContact O-N 3.07Å; L203-D206 PolarHBondContact O-N 3.44Å; D206-A209 WeakPolarHBondContact O-CB 3.33Å; D206-A209 PolarHBondContact O-N 2.88Å; D206-I210 WeakPolarHBondContact O-CG1 3.35Å; D206-I210 PolarHBondContact O-N 3.03Å; D206-I210 VanDerWaalsContact O-N 3.12Å; D206-F230 HydrophobicContact CB-CE1 3.93Å; D206-F230 HydrophobicContact CB-CZ 3.98Å |
| 207 | Y | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 170.8 | -92.1 | -79.8 | 0 | 0 | 0 | 113 | Y131 F133 N174 F175 V178 L199 L203 A204 A209 I210 V211 | Y131-Y207 HydrophobicContact CD1-CE1 4.48Å; Y131-Y207 HydrophobicContact CD1-CE2 4.17Å; Y131-Y207 AromaticContact CD1-CZ 3.82Å; Y131-Y207 VanDerWaalsContact O-CE2 3.31Å; Y131-Y207 WeakPolarHBondContact O-CE2 3.46Å; Y131-Y207 PolarHBondContact O-OH 3.37Å; F133-Y207 AromaticContact CD1-CE2 3.84Å; F133-Y207 HydrophobicContact CD1-CE2 3.84Å; F133-Y207 AromaticContact CD1-CZ 3.9Å; F133-Y207 AromaticContact CE1-CD2 3.85Å; F133-Y207 HydrophobicContact CE1-CD2 3.85Å; F133-Y207 AromaticContact CE1-CE2 3.61Å; F133-Y207 HydrophobicContact CE1-CE2 3.61Å; F133-Y207 HydrophobicContact CE1-CG 4.4Å; F133-Y207 AromaticContact CE1-CZ 3.98Å; N174-Y207 WeakPolarHBondContact CB-OH 3.23Å; F175-Y207 HydrophobicContact CD1-CD1 4.02Å; F175-Y207 AromaticContact CD1-CE1 3.4Å; F175-Y207 HydrophobicContact CD1-CE1 3.4Å; F175-Y207 VanDerWaalsContact CD1-CE1 3.4Å; F175-Y207 HydrophobicContact CE1-CD1 4.5Å; F175-Y207 AromaticContact CE1-CE1 3.79Å; F175-Y207 HydrophobicContact CE1-CE1 3.79Å; V178-Y207 HydrophobicContact CB-CD1 3.88Å; V178-Y207 HydrophobicContact CB-CE1 4.2Å; V178-Y207 HydrophobicContact CG1-CD1 3.95Å; V178-Y207 HydrophobicContact CG1-CG 4.41Å; V178-Y207 HydrophobicContact CG2-CD1 3.68Å; V178-Y207 HydrophobicContact CG2-CE1 3.67Å; V178-Y207 HydrophobicContact CG2-CG 4.38Å; L199-Y207 HydrophobicContact CD1-CD2 3.8Å; L199-Y207 HydrophobicContact CD1-CE2 3.97Å; L203-Y207 HydrophobicContact CD1-CD2 3.95Å; L203-Y207 HydrophobicContact CD1-CE2 3.81Å; L203-Y207 HydrophobicContact CD2-CE2 4.37Å; L203-Y207 HydrophobicContact CG-CD2 3.89Å; L203-Y207 HydrophobicContact CG-CE2 3.9Å; L203-Y207 WeakPolarHBondContact O-CD2 3.27Å; L203-Y207 PolarHBondContact O-N 3.37Å; A204-Y207 PolarHBondContact O-N 3.08Å; Y207-A209 VanDerWaalsContact C-N 3.28Å; Y207-A209 PolarHBondContact O-N 2.95Å; Y207-I210 PolarHBondContact O-N 3.17Å; Y207-I210 VanDerWaalsContact O-N 3.15Å; Y207-V211 WeakPolarHBondContact O-CG2 3.41Å; Y207-V211 PolarHBondContact O-N 3.2Å |
| 208 | A | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | L189 V190 I193 A204 R205 V211 F212 I241 | L189-A208 HydrophobicContact CD2-CB 3.79Å; L189-A208 HydrophobicContact CG-CB 3.84Å; V190-A208 HydrophobicContact CG2-CB 3.77Å; I193-A208 HydrophobicContact CD1-CB 3.88Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 2.94Å; R205-A208 WeakPolarHBondContact O-CB 3.5Å; R205-A208 PolarHBondContact O-N 2.97Å; A208-V211 PolarHBondContact O-N 3.39Å; A208-F212 VanDerWaalsContact O-CB 3.25Å; A208-F212 WeakPolarHBondContact O-CB 3.43Å; A208-F212 PolarHBondContact O-N 3.49Å; A208-I241 HydrophobicContact CB-CD1 4.46Å |
| 209 | A | 96.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R205 D206 Y207 V211 F212 F213 A234 A237 | R205-A209 PolarHBondContact O-N 2.85Å; D206-A209 WeakPolarHBondContact O-CB 3.33Å; D206-A209 PolarHBondContact O-N 2.88Å; Y207-A209 VanDerWaalsContact C-N 3.28Å; Y207-A209 PolarHBondContact O-N 2.95Å; A209-V211 PolarHBondContact O-N 3Å; A209-F212 PolarHBondContact O-N 2.89Å; A209-F213 WeakPolarHBondContact O-CB 3.34Å; A209-F213 VanDerWaalsContact O-CD2 3.29Å; A209-F213 WeakPolarHBondContact O-CD2 3.5Å; A209-F213 PolarHBondContact O-N 2.85Å; A209-A234 HydrophobicContact CB-CB 3.95Å; A209-A237 HydrophobicContact CB-CB 3.49Å; A209-A237 VanDerWaalsContact CB-CB 3.49Å |
| 210 | I | 95.9 | Very high | 95 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 177.2 | -65.6 | 167.8 | 0 | 0 | 0 | 111 | F133 V138 L142 F175 D206 Y207 F213 A214 F230 | F133-I210 HydrophobicContact CE1-CD1 3.86Å; F133-I210 HydrophobicContact CE2-CD1 4.25Å; F133-I210 HydrophobicContact CZ-CD1 3.68Å; V138-I210 HydrophobicContact CG1-CD1 3.67Å; V138-I210 HydrophobicContact CG1-CG1 3.76Å; V138-I210 HydrophobicContact CG2-CD1 4.21Å; L142-I210 HydrophobicContact CD1-CG1 4.25Å; F175-I210 HydrophobicContact CB-CG2 4.33Å; F175-I210 HydrophobicContact CD1-CD1 3.77Å; F175-I210 HydrophobicContact CD1-CG2 4.12Å; F175-I210 HydrophobicContact CE1-CD1 3.49Å; F175-I210 VanDerWaalsContact CE1-CD1 3.49Å; F175-I210 HydrophobicContact CG-CG2 4.12Å; F175-I210 HydrophobicContact CZ-CD1 4.07Å; D206-I210 WeakPolarHBondContact O-CG1 3.35Å; D206-I210 PolarHBondContact O-N 3.03Å; D206-I210 VanDerWaalsContact O-N 3.12Å; Y207-I210 PolarHBondContact O-N 3.17Å; Y207-I210 VanDerWaalsContact O-N 3.15Å; I210-F213 PolarHBondContact O-N 3.12Å; I210-A214 WeakPolarHBondContact O-CB 3.16Å; I210-A214 PolarHBondContact O-N 3.26Å; I210-F230 HydrophobicContact CD1-CE2 4.37Å; I210-F230 HydrophobicContact CD1-CZ 4.21Å; I210-F230 HydrophobicContact CG1-CE2 3.82Å; I210-F230 HydrophobicContact CG1-CZ 4Å |
| 211 | V | 93.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 178.3 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | V178 F179 V182 L189 Y207 A208 A209 F213 A214 N215 V258 | V178-V211 HydrophobicContact CG1-CG2 4.15Å; F179-V211 HydrophobicContact CB-CG2 4.29Å; F179-V211 HydrophobicContact CD2-CB 4.23Å; F179-V211 HydrophobicContact CD2-CG1 3.83Å; F179-V211 HydrophobicContact CD2-CG2 4.18Å; F179-V211 HydrophobicContact CE2-CG1 4.16Å; V182-V211 HydrophobicContact CG2-CG1 3.83Å; V182-V211 HydrophobicContact CG2-CG2 4.1Å; L189-V211 HydrophobicContact CD1-CG1 4.23Å; L189-V211 HydrophobicContact CD2-CB 4.35Å; L189-V211 HydrophobicContact CD2-CG1 4.2Å; Y207-V211 WeakPolarHBondContact O-CG2 3.41Å; Y207-V211 PolarHBondContact O-N 3.2Å; A208-V211 PolarHBondContact O-N 3.39Å; A209-V211 PolarHBondContact O-N 3Å; V211-F213 VanDerWaalsContact C-N 3.33Å; V211-F213 PolarHBondContact O-N 3.3Å; V211-A214 PolarHBondContact O-N 3.29Å; V211-N215 WeakPolarHBondContact O-CB 3.32Å; V211-N215 PolarHBondContact O-N 2.9Å; V211-V258 HydrophobicContact CG1-CG1 4.11Å |
| 212 | F | 93.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 179.3 | -177.1 | -105.9 | 0 | 0 | 0 | 112.2 | A208 A209 N215 N216 F218 A237 L240 I241 T245 L260 | A208-F212 VanDerWaalsContact O-CB 3.25Å; A208-F212 WeakPolarHBondContact O-CB 3.43Å; A208-F212 PolarHBondContact O-N 3.49Å; A209-F212 PolarHBondContact O-N 2.89Å; F212-N215 PolarHBondContact O-N 3.11Å; F212-N216 WeakPolarHBondContact CD2-ND2 3.37Å; F212-N216 VanDerWaalsContact CE2-ND2 3.32Å; F212-N216 WeakPolarHBondContact CE2-ND2 3.41Å; F212-N216 PolarHBondContact O-N 3.2Å; F212-N216 VanDerWaalsContact O-N 3.09Å; F212-N216 PolarHBondContact O-ND2 3.26Å; F212-F218 AromaticContact CD1-CE2 3.98Å; F212-F218 HydrophobicContact CD1-CE2 3.98Å; F212-F218 AromaticContact CE1-CE2 3.51Å; F212-F218 HydrophobicContact CE1-CE2 3.51Å; F212-F218 HydrophobicContact CE1-CZ 4.04Å; F212-F218 HydrophobicContact CZ-CE2 4.16Å; F212-F218 HydrophobicContact CZ-CZ 4.45Å; F212-A237 HydrophobicContact CD1-CB 4.28Å; F212-L240 HydrophobicContact CE1-CB 3.67Å; F212-L240 HydrophobicContact CE1-CD1 3.93Å; F212-L240 HydrophobicContact CE1-CG 4.43Å; F212-L240 HydrophobicContact CZ-CB 3.81Å; F212-I241 HydrophobicContact CB-CD1 3.82Å; F212-I241 HydrophobicContact CB-CG1 4.16Å; F212-I241 HydrophobicContact CD1-CD1 4.4Å; F212-I241 HydrophobicContact CD1-CG1 4.13Å; F212-I241 HydrophobicContact CD2-CD1 4.31Å; F212-I241 HydrophobicContact CD2-CG1 3.69Å; F212-I241 HydrophobicContact CE1-CG1 4.46Å; F212-I241 HydrophobicContact CE2-CG1 4.05Å; F212-I241 HydrophobicContact CG-CD1 3.94Å; F212-I241 HydrophobicContact CG-CG1 3.72Å; F212-I241 HydrophobicContact CZ-CG1 4.42Å; F212-T245 HydrophobicContact CE2-CG2 3.95Å; F212-L260 HydrophobicContact CE2-CD2 4.33Å; F212-L260 HydrophobicContact CZ-CD2 3.87Å; F212-L260 HydrophobicContact CZ-CG 4.46Å |
| 213 | F | 94.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 175.4 | -90.8 | -114.7 | 0 | 0 | 0 | 112.9 | L142 A209 I210 V211 R217 F218 T220 F233 A237 F330 | L142-F213 HydrophobicContact CD1-CB 3.66Å; L142-F213 HydrophobicContact CD1-CD1 4.06Å; L142-F213 HydrophobicContact CD1-CG 3.85Å; L142-F213 HydrophobicContact CD2-CD1 3.72Å; L142-F213 HydrophobicContact CD2-CE1 3.86Å; L142-F213 HydrophobicContact CD2-CG 4.25Å; L142-F213 HydrophobicContact CD2-CZ 4.5Å; L142-F213 HydrophobicContact CG-CB 4.04Å; L142-F213 HydrophobicContact CG-CD1 3.59Å; L142-F213 HydrophobicContact CG-CE1 4.24Å; L142-F213 HydrophobicContact CG-CG 3.93Å; A209-F213 WeakPolarHBondContact O-CB 3.34Å; A209-F213 VanDerWaalsContact O-CD2 3.29Å; A209-F213 WeakPolarHBondContact O-CD2 3.5Å; A209-F213 PolarHBondContact O-N 2.85Å; I210-F213 PolarHBondContact O-N 3.12Å; V211-F213 VanDerWaalsContact C-N 3.33Å; V211-F213 PolarHBondContact O-N 3.3Å; F213-R217 VanDerWaalsContact O-CA 3.27Å; F213-R217 WeakPolarHBondContact O-CA 3.32Å; F213-R217 PolarHBondContact O-N 2.68Å; F213-F218 HydrophobicContact CD1-CB 3.65Å; F213-F218 HydrophobicContact CD1-CD2 4.13Å; F213-F218 HydrophobicContact CD1-CG 4.28Å; F213-F218 HydrophobicContact CD2-CD2 4.2Å; F213-F218 HydrophobicContact CE1-CB 3.77Å; F213-F218 HydrophobicContact CE1-CD2 4.35Å; F213-F218 HydrophobicContact CE1-CG 4.29Å; F213-F218 HydrophobicContact CE2-CD2 4.38Å; F213-F218 HydrophobicContact CG-CB 4.39Å; F213-F218 HydrophobicContact CG-CD2 4.07Å; F213-F218 HydrophobicContact CZ-CD2 4.49Å; F213-T220 HydrophobicContact CD1-CG2 3.76Å; F213-T220 HydrophobicContact CE1-CG2 3.61Å; F213-F233 HydrophobicContact CE1-CB 4.12Å; F213-F233 AromaticContact CE1-CD1 3.77Å; F213-F233 HydrophobicContact CE1-CD1 3.77Å; F213-F233 HydrophobicContact CE1-CG 4.12Å; F213-F233 HydrophobicContact CE2-CB 4.49Å; F213-F233 HydrophobicContact CZ-CB 3.77Å; F213-F233 AromaticContact CZ-CD1 3.75Å; F213-F233 HydrophobicContact CZ-CD1 3.75Å; F213-F233 HydrophobicContact CZ-CG 4.11Å; F213-A237 HydrophobicContact CD2-CB 4.02Å; F213-A237 HydrophobicContact CE2-CB 3.59Å; F213-F330 HydrophobicContact CE1-CD2 4.18Å; F213-F330 AromaticContact CE1-CE2 3.61Å; F213-F330 HydrophobicContact CE1-CE2 3.61Å; F213-F330 HydrophobicContact CE1-CZ 4.31Å; F213-F330 HydrophobicContact CE2-CE2 4.16Å; F213-F330 HydrophobicContact CE2-CZ 4.26Å; F213-F330 HydrophobicContact CZ-CD2 4.19Å; F213-F330 AromaticContact CZ-CE2 3.25Å; F213-F330 HydrophobicContact CZ-CE2 3.25Å; F213-F330 AromaticContact CZ-CZ 3.53Å; F213-F330 HydrophobicContact CZ-CZ 3.53Å |
| 214 | A | 91.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L146 F179 I210 V211 | L146-A214 HydrophobicContact CD1-CB 4.16Å; L146-A214 HydrophobicContact CG-CB 4.09Å; F179-A214 HydrophobicContact CD2-CB 4.07Å; F179-A214 HydrophobicContact CE2-CB 3.87Å; I210-A214 WeakPolarHBondContact O-CB 3.16Å; I210-A214 PolarHBondContact O-N 3.26Å; V211-A214 PolarHBondContact O-N 3.29Å |
| 215 | N | 89.1 | Confident | 94.4 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 31% | 0.305 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66 | -53.2 | 178 | -167.8 | 41.8 | 0 | 0 | 0 | 110.9 | F179 V211 F212 R217 V258 D259 | F179-N215 HydrophobicContact CE2-CB 4.34Å; V211-N215 WeakPolarHBondContact O-CB 3.32Å; V211-N215 PolarHBondContact O-N 2.9Å; F212-N215 PolarHBondContact O-N 3.11Å; N215-R217 PolarHBondContact O-N 3.25Å; N215-V258 HydrophobicContact CB-CG1 4Å; N215-V258 PolarHBondContact ND2-O 3.11Å; N215-D259 PolarHBondContact ND2-OD1 3.35Å |
| 216 | N | 90.3 | Very high | 94.3 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -81.6 | -13.7 | -175.9 | -69.5 | -76.6 | 0 | 0 | 0 | 114 | F212 F218 R327 | F212-N216 WeakPolarHBondContact CD2-ND2 3.37Å; F212-N216 VanDerWaalsContact CE2-ND2 3.32Å; F212-N216 WeakPolarHBondContact CE2-ND2 3.41Å; F212-N216 PolarHBondContact O-N 3.2Å; F212-N216 VanDerWaalsContact O-N 3.09Å; F212-N216 PolarHBondContact O-ND2 3.26Å; N216-F218 HydrophobicContact CB-CD2 3.75Å; N216-F218 HydrophobicContact CB-CE2 3.37Å; N216-F218 HydrophobicContact CB-CZ 3.98Å; N216-F218 PolarHBondContact O-N 3.42Å; N216-R327 WeakPolarHBondContact O-CG 3.13Å |
| 217 | R | 91.7 | Very high | 94.2 | Very high | 123 Ų | 123 | 41.8 Ų | 41.8 | 46% | 0.464 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 41.2 | 179.7 | -53.6 | -175 | -174.7 | 171.6 | 9.2 | 114.1 | F213 N215 E219 R327 | F213-R217 VanDerWaalsContact O-CA 3.27Å; F213-R217 WeakPolarHBondContact O-CA 3.32Å; F213-R217 PolarHBondContact O-N 2.68Å; N215-R217 PolarHBondContact O-N 3.25Å; R217-E219 PolarHBondContact O-N 3.26Å; R217-R327 HydrophobicContact CB-CG 4.21Å; R217-R327 WeakPolarHBondContact O-CD 3.29Å; R217-R327 WeakPolarHBondContact O-CG 3.23Å |
| 218 | F | 95.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | trans | -53.9 | 135.3 | 174.5 | -70.5 | -75.9 | 0 | 0 | 0 | 111 | G143 F212 F213 N216 L240 V326 F329 F330 | G143-F218 VanDerWaalsContact CA-O 3.3Å; G143-F218 WeakPolarHBondContact CA-O 3.39Å; F212-F218 AromaticContact CD1-CE2 3.98Å; F212-F218 HydrophobicContact CD1-CE2 3.98Å; F212-F218 AromaticContact CE1-CE2 3.51Å; F212-F218 HydrophobicContact CE1-CE2 3.51Å; F212-F218 HydrophobicContact CE1-CZ 4.04Å; F212-F218 HydrophobicContact CZ-CE2 4.16Å; F212-F218 HydrophobicContact CZ-CZ 4.45Å; F213-F218 HydrophobicContact CD1-CB 3.65Å; F213-F218 HydrophobicContact CD1-CD2 4.13Å; F213-F218 HydrophobicContact CD1-CG 4.28Å; F213-F218 HydrophobicContact CD2-CD2 4.2Å; F213-F218 HydrophobicContact CE1-CB 3.77Å; F213-F218 HydrophobicContact CE1-CD2 4.35Å; F213-F218 HydrophobicContact CE1-CG 4.29Å; F213-F218 HydrophobicContact CE2-CD2 4.38Å; F213-F218 HydrophobicContact CG-CB 4.39Å; F213-F218 HydrophobicContact CG-CD2 4.07Å; F213-F218 HydrophobicContact CZ-CD2 4.49Å; N216-F218 HydrophobicContact CB-CD2 3.75Å; N216-F218 HydrophobicContact CB-CE2 3.37Å; N216-F218 HydrophobicContact CB-CZ 3.98Å; N216-F218 PolarHBondContact O-N 3.42Å; F218-L240 HydrophobicContact CZ-CD1 4.23Å; F218-V326 WeakPolarHBondContact CD1-O 3.24Å; F218-V326 HydrophobicContact CE1-CG1 3.81Å; F218-V326 WeakPolarHBondContact CE1-O 3.46Å; F218-V326 HydrophobicContact CZ-CG1 3.96Å; F218-F329 HydrophobicContact CD1-CB 4.2Å; F218-F329 HydrophobicContact CE1-CB 3.95Å; F218-F329 HydrophobicContact CE1-CD1 4.39Å; F218-F329 HydrophobicContact CE1-CG 4.48Å; F218-F330 HydrophobicContact CB-CD2 4.18Å; F218-F330 HydrophobicContact CB-CE2 4.14Å; F218-F330 AromaticContact CD1-CD2 3.96Å; F218-F330 HydrophobicContact CD1-CD2 3.96Å; F218-F330 AromaticContact CD1-CE2 3.75Å; F218-F330 HydrophobicContact CD1-CE2 3.75Å; F218-F330 HydrophobicContact CD2-CE2 4.4Å; F218-F330 HydrophobicContact CE1-CE2 4.24Å; F218-F330 HydrophobicContact CG-CD2 4.22Å; F218-F330 AromaticContact CG-CE2 3.85Å; F218-F330 HydrophobicContact CG-CE2 3.85Å | ||
| 219 | E | 95 | Very high | 94.2 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | trans | -79.6 | 120.5 | 176.6 | 175 | 62.7 | -92.5 | 0 | 0 | 109.8 | R217 G221 K222 L225 R327 I331 | R217-E219 PolarHBondContact O-N 3.26Å; E219-G221 WeakPolarHBondContact OE1-CA 3.46Å; E219-G221 PolarHBondContact OE1-N 3.23Å; E219-K222 HydrophobicContact CG-CD 4.46Å; E219-K222 HydrophobicContact CG-CG 3.73Å; E219-L225 VanDerWaalsContact O-CD1 3.22Å; E219-L225 WeakPolarHBondContact O-CD1 3.39Å; E219-R327 PolarHBondContact N-O 3.21Å; E219-I331 HydrophobicContact CB-CD1 3.92Å; E219-I331 HydrophobicContact CG-CD1 3.45Å; E219-I331 VanDerWaalsContact CG-CD1 3.45Å | ||
| 220 | T | 95.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | trans | -124.2 | -7.6 | -177.2 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | R139 L142 F213 F233 | R139-T220 VanDerWaalsContact CZ-O 3.3Å; R139-T220 PolarHBondContact NH1-O 2.83Å; R139-T220 PolarHBondContact NH2-O 3.11Å; L142-T220 HydrophobicContact CD2-CG2 4.1Å; L142-T220 HydrophobicContact CG-CG2 4.25Å; L142-T220 PolarHBondContact O-OG1 3.36Å; F213-T220 HydrophobicContact CD1-CG2 3.76Å; F213-T220 HydrophobicContact CE1-CG2 3.61Å; T220-F233 HydrophobicContact CG2-CD1 4.5Å; T220-F233 HydrophobicContact CG2-CE1 4.26Å; T220-F233 HydrophobicContact CG2-CZ 4.28Å | ||
| 221 | G | 92.8 | Very high | 94.3 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 52% | 0.515 | 23% | 0.232 | S | C | . | . | trans | -92.3 | -7.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E219 | E219-G221 WeakPolarHBondContact OE1-CA 3.46Å; E219-G221 PolarHBondContact OE1-N 3.23Å | ||
| 222 | K | 94.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 45% | 0.452 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -65.5 | 145.2 | 179.3 | -64.3 | -60.5 | -177.5 | 179.3 | 0 | 111.7 | E219 K224 L225 I331 | E219-K222 HydrophobicContact CG-CD 4.46Å; E219-K222 HydrophobicContact CG-CG 3.73Å; K222-K224 HydrophobicContact CB-CG 4.19Å; K222-K224 PolarHBondContact O-N 2.83Å; K222-K224 VanDerWaalsContact O-N 3.13Å; K222-L225 PolarHBondContact O-N 2.58Å; K222-I331 HydrophobicContact CB-CD1 4.35Å; K222-I331 HydrophobicContact CB-CG1 4.48Å; K222-I331 HydrophobicContact CG-CD1 3.54Å; K222-I331 HydrophobicContact CG-CG1 4.17Å |
| 223 | K | 94.3 | Very high | 94.8 | Very high | 172 Ų | 172 | 47.4 Ų | 47.4 | 75% | 0.748 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -50.5 | -41.3 | -179.4 | -171.3 | 177.8 | 179.8 | -179.5 | 0 | 113.2 | L225 Q226 | K223-L225 PolarHBondContact O-N 3.42Å; K223-Q226 WeakPolarHBondContact O-CB 3.31Å; K223-Q226 WeakPolarHBondContact O-CG 3.31Å; K223-Q226 PolarHBondContact O-N 2.74Å; K223-Q226 VanDerWaalsContact O-N 3.12Å |
| 224 | K | 94.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -64.9 | -15.5 | 178.5 | 64.9 | -179 | 63 | -129.8 | 0 | 114.6 | K222 Y227 I331 V334 E335 E339 | K222-K224 HydrophobicContact CB-CG 4.19Å; K222-K224 PolarHBondContact O-N 2.83Å; K222-K224 VanDerWaalsContact O-N 3.13Å; K224-Y227 WeakPolarHBondContact O-CD1 3.43Å; K224-Y227 WeakPolarHBondContact O-CE1 3.46Å; K224-I331 HydrophobicContact CD-CG2 3.95Å; K224-V334 HydrophobicContact CB-CG1 4.33Å; K224-V334 HydrophobicContact CD-CG1 4.35Å; K224-E335 HydrophobicContact CD-CG 4.02Å; K224-E335 WeakPolarHBondContact CE-OE1 3.33Å; K224-E335 IonicContact NZ-OE1 2.75Å; K224-E335 PolarHBondContact NZ-OE1 3.11Å; K224-E339 IonicContact NZ-OE1 3.34Å; K224-E339 PolarHBondContact NZ-OE1 3.31Å; K224-E339 VanDerWaalsContact NZ-OE1 3.11Å; K224-E339 IonicContact NZ-OE2 2.94Å |
| 225 | L | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -101.8 | -0.5 | 176.8 | -61.1 | -179.5 | 0 | 0 | 0 | 112.8 | R139 E219 K222 K223 Y227 L228 F233 F330 I331 V334 M388 | R139-L225 PolarHBondContact NH2-O 3.47Å; E219-L225 VanDerWaalsContact O-CD1 3.22Å; E219-L225 WeakPolarHBondContact O-CD1 3.39Å; K222-L225 PolarHBondContact O-N 2.58Å; K223-L225 PolarHBondContact O-N 3.42Å; L225-Y227 PolarHBondContact O-N 3.14Å; L225-L228 HydrophobicContact CD2-CD1 3.89Å; L225-L228 WeakPolarHBondContact O-CB 3.06Å; L225-L228 PolarHBondContact O-N 3.03Å; L225-L228 VanDerWaalsContact O-N 3.11Å; L225-F233 HydrophobicContact CB-CZ 4.3Å; L225-F233 HydrophobicContact CD1-CZ 4.35Å; L225-F330 HydrophobicContact CD1-CB 4.17Å; L225-F330 HydrophobicContact CD2-CB 4.3Å; L225-I331 HydrophobicContact CD1-CG1 3.88Å; L225-I331 HydrophobicContact CG-CG1 4.4Å; L225-V334 HydrophobicContact CD2-CB 4.41Å; L225-V334 HydrophobicContact CD2-CG2 3.69Å; L225-M388 HydrophobicContact CD2-CE 4.43Å |
| 226 | Q | 94 | Very high | 95.7 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.7 | -175.7 | -74 | 177.9 | -11 | 0 | 0 | 113.5 | K223 L228 | K223-Q226 WeakPolarHBondContact O-CB 3.31Å; K223-Q226 WeakPolarHBondContact O-CG 3.31Å; K223-Q226 PolarHBondContact O-N 2.74Å; K223-Q226 VanDerWaalsContact O-N 3.12Å; Q226-L228 PolarHBondContact O-N 3.36Å |
| 227 | Y | 95.8 | Very high | 96 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 26% | 0.255 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -10.5 | 177 | 75.4 | -94.5 | 0 | 0 | 0 | 113.2 | K224 L225 V334 R342 M388 H390 | K224-Y227 WeakPolarHBondContact O-CD1 3.43Å; K224-Y227 WeakPolarHBondContact O-CE1 3.46Å; L225-Y227 PolarHBondContact O-N 3.14Å; Y227-V334 WeakPolarHBondContact OH-CG2 3.32Å; Y227-R342 VanDerWaalsContact CE1-NH1 3.33Å; Y227-R342 VanDerWaalsContact CE2-NH2 3.26Å; Y227-R342 VanDerWaalsContact CZ-NH1 3.31Å; Y227-M388 WeakPolarHBondContact CE2-O 3.46Å; Y227-M388 PolarHBondContact OH-O 2.99Å; Y227-H390 HydrophobicContact CD2-CB 4.31Å; Y227-H390 AromaticContact CD2-ND1 3.77Å; Y227-H390 HydrophobicContact CE2-CB 4.45Å; Y227-H390 PolarHBondContact O-ND1 3.3Å |
| 228 | L | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -92.9 | 137.7 | -179.9 | -63.3 | 170.6 | 0 | 0 | 0 | 111.3 | R139 L225 Q226 D232 F233 M388 | R139-L228 PolarHBondContact NE-O 2.95Å; L225-L228 HydrophobicContact CD2-CD1 3.89Å; L225-L228 WeakPolarHBondContact O-CB 3.06Å; L225-L228 PolarHBondContact O-N 3.03Å; L225-L228 VanDerWaalsContact O-N 3.11Å; Q226-L228 PolarHBondContact O-N 3.36Å; L228-D232 HydrophobicContact CB-CB 4.4Å; L228-D232 HydrophobicContact CD2-CB 4.1Å; L228-F233 HydrophobicContact CB-CD2 4.46Å; L228-F233 HydrophobicContact CB-CE2 3.76Å; L228-F233 HydrophobicContact CB-CZ 4.01Å; L228-F233 HydrophobicContact CD1-CE1 4.1Å; L228-F233 HydrophobicContact CD1-CE2 4.35Å; L228-F233 HydrophobicContact CD1-CZ 3.74Å; L228-M388 HydrophobicContact CD1-CB 4.49Å; L228-M388 HydrophobicContact CD1-CE 3.67Å; L228-M388 HydrophobicContact CD1-CG 4.08Å; L228-M388 HydrophobicContact CD2-CB 3.89Å; L228-M388 HydrophobicContact CD2-CG 3.96Å | ||
| 229 | T | 96.8 | Very high | 96.2 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | trans | -85.7 | 169.9 | 176.2 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | Q231 D232 F233 | T229-Q231 VanDerWaalsContact C-N 3.29Å; T229-Q231 PolarHBondContact O-N 3.45Å; T229-Q231 PolarHBondContact OG1-N 3.17Å; T229-D232 WeakPolarHBondContact CB-OD2 3.34Å; T229-D232 PolarHBondContact N-OD2 3.48Å; T229-D232 PolarHBondContact O-N 3.26Å; T229-D232 PolarHBondContact OG1-N 3.02Å; T229-D232 PolarHBondContact OG1-OD2 3.31Å; T229-F233 VanDerWaalsContact O-CD2 3.26Å; T229-F233 WeakPolarHBondContact O-CD2 3.38Å; T229-F233 PolarHBondContact O-N 2.94Å | ||
| 230 | F | 97.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 170.5 | 167.7 | -110.3 | 0 | 0 | 0 | 111.6 | F133 D135 V138 R139 L142 D206 I210 D232 F233 A234 | F133-F230 HydrophobicContact CE2-CD1 4.25Å; F133-F230 AromaticContact CE2-CE1 3.68Å; F133-F230 HydrophobicContact CE2-CE1 3.68Å; F133-F230 HydrophobicContact CE2-CZ 4.11Å; F133-F230 HydrophobicContact CZ-CE1 4Å; F133-F230 HydrophobicContact CZ-CZ 4.13Å; D135-F230 HydrophobicContact CB-CB 4.31Å; D135-F230 WeakPolarHBondContact OD1-CD1 3.32Å; V138-F230 HydrophobicContact CB-CD2 4.22Å; V138-F230 HydrophobicContact CB-CG 4.37Å; V138-F230 HydrophobicContact CG1-CD2 3.45Å; V138-F230 VanDerWaalsContact CG1-CD2 3.45Å; V138-F230 HydrophobicContact CG1-CE2 3.49Å; V138-F230 VanDerWaalsContact CG1-CE2 3.49Å; V138-F230 HydrophobicContact CG1-CG 4.07Å; V138-F230 HydrophobicContact CG1-CZ 4.14Å; R139-F230 HydrophobicContact CB-CB 4.48Å; L142-F230 HydrophobicContact CD1-CD2 4.44Å; L142-F230 HydrophobicContact CD1-CE2 4.2Å; L142-F230 HydrophobicContact CD2-CD2 4.18Å; D206-F230 HydrophobicContact CB-CE1 3.93Å; D206-F230 HydrophobicContact CB-CZ 3.98Å; I210-F230 HydrophobicContact CD1-CE2 4.37Å; I210-F230 HydrophobicContact CD1-CZ 4.21Å; I210-F230 HydrophobicContact CG1-CE2 3.82Å; I210-F230 HydrophobicContact CG1-CZ 4Å; F230-D232 VanDerWaalsContact C-N 3.26Å; F230-D232 PolarHBondContact O-N 3.49Å; F230-F233 CarbonylContact O-C 3.53Å; F230-F233 PolarHBondContact O-N 2.89Å; F230-A234 HydrophobicContact CE1-CB 4.17Å; F230-A234 HydrophobicContact CE2-CB 4.26Å; F230-A234 HydrophobicContact CZ-CB 3.95Å; F230-A234 PolarHBondContact O-N 3.43Å |
| 231 | Q | 97.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -30.1 | -178.2 | -63.4 | -62.1 | -36.6 | 0 | 0 | 112.8 | D135 T229 F235 | D135-Q231 PolarHBondContact OD1-NE2 3.1Å; D135-Q231 WeakPolarHBondContact OD2-CG 3.2Å; D135-Q231 PolarHBondContact OD2-NE2 3.22Å; T229-Q231 VanDerWaalsContact C-N 3.29Å; T229-Q231 PolarHBondContact O-N 3.45Å; T229-Q231 PolarHBondContact OG1-N 3.17Å; Q231-F235 WeakPolarHBondContact O-CB 3.36Å; Q231-F235 PolarHBondContact O-N 3.12Å |
| 232 | D | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 172.6 | -56.8 | -42.6 | 0 | 0 | 0 | 110.9 | L228 T229 F230 C236 K387 H390 | L228-D232 HydrophobicContact CB-CB 4.4Å; L228-D232 HydrophobicContact CD2-CB 4.1Å; T229-D232 WeakPolarHBondContact CB-OD2 3.34Å; T229-D232 PolarHBondContact N-OD2 3.48Å; T229-D232 PolarHBondContact O-N 3.26Å; T229-D232 PolarHBondContact OG1-N 3.02Å; T229-D232 PolarHBondContact OG1-OD2 3.31Å; F230-D232 VanDerWaalsContact C-N 3.26Å; F230-D232 PolarHBondContact O-N 3.49Å; D232-C236 PolarHBondContact O-N 3.43Å; D232-C236 VanDerWaalsContact O-N 3.17Å; D232-C236 PolarHBondContact O-SG 2.89Å; D232-K387 HydrophobicContact CB-CG 4.24Å; D232-K387 WeakPolarHBondContact OD1-CE 3.35Å; D232-K387 IonicContact OD1-NZ 3.08Å; D232-K387 PolarHBondContact OD1-NZ 3.46Å; D232-H390 IonicContact OD1-NE2 2.81Å; D232-H390 IonicContact OD2-CE1 3.78Å; D232-H390 PolarHBondContact OD2-CE1 2.84Å; D232-H390 VanDerWaalsContact OD2-CE1 3.29Å; D232-H390 IonicContact OD2-NE2 3.76Å |
| 233 | F | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 175.3 | -71.9 | -64.5 | 0 | 0 | 0 | 112.8 | L142 F213 T220 L225 L228 T229 F230 F235 C236 A237 F330 | L142-F233 HydrophobicContact CD2-CB 3.66Å; L142-F233 HydrophobicContact CD2-CD2 3.98Å; L142-F233 HydrophobicContact CD2-CG 3.91Å; F213-F233 HydrophobicContact CE1-CB 4.12Å; F213-F233 AromaticContact CE1-CD1 3.77Å; F213-F233 HydrophobicContact CE1-CD1 3.77Å; F213-F233 HydrophobicContact CE1-CG 4.12Å; F213-F233 HydrophobicContact CE2-CB 4.49Å; F213-F233 HydrophobicContact CZ-CB 3.77Å; F213-F233 AromaticContact CZ-CD1 3.75Å; F213-F233 HydrophobicContact CZ-CD1 3.75Å; F213-F233 HydrophobicContact CZ-CG 4.11Å; T220-F233 HydrophobicContact CG2-CD1 4.5Å; T220-F233 HydrophobicContact CG2-CE1 4.26Å; T220-F233 HydrophobicContact CG2-CZ 4.28Å; L225-F233 HydrophobicContact CB-CZ 4.3Å; L225-F233 HydrophobicContact CD1-CZ 4.35Å; L228-F233 HydrophobicContact CB-CD2 4.46Å; L228-F233 HydrophobicContact CB-CE2 3.76Å; L228-F233 HydrophobicContact CB-CZ 4.01Å; L228-F233 HydrophobicContact CD1-CE1 4.1Å; L228-F233 HydrophobicContact CD1-CE2 4.35Å; L228-F233 HydrophobicContact CD1-CZ 3.74Å; T229-F233 VanDerWaalsContact O-CD2 3.26Å; T229-F233 WeakPolarHBondContact O-CD2 3.38Å; T229-F233 PolarHBondContact O-N 2.94Å; F230-F233 CarbonylContact O-C 3.53Å; F230-F233 PolarHBondContact O-N 2.89Å; F233-F235 VanDerWaalsContact C-N 3.32Å; F233-F235 PolarHBondContact O-N 3.15Å; F233-C236 PolarHBondContact O-N 3.19Å; F233-A237 WeakPolarHBondContact O-CB 3.44Å; F233-A237 PolarHBondContact O-N 3.16Å; F233-F330 HydrophobicContact CD1-CD1 4.28Å; F233-F330 HydrophobicContact CD1-CD2 4.27Å; F233-F330 HydrophobicContact CD1-CE1 4.31Å; F233-F330 HydrophobicContact CD1-CE2 4.3Å; F233-F330 HydrophobicContact CD1-CG 4.27Å; F233-F330 HydrophobicContact CD1-CZ 4.32Å; F233-F330 HydrophobicContact CE1-CB 4.18Å; F233-F330 HydrophobicContact CE1-CD1 4.13Å; F233-F330 HydrophobicContact CE1-CD2 4.11Å; F233-F330 AromaticContact CE1-CG 3.86Å; F233-F330 HydrophobicContact CE1-CG 3.86Å |
| 234 | A | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A209 F230 A237 G238 | A209-A234 HydrophobicContact CB-CB 3.95Å; F230-A234 HydrophobicContact CE1-CB 4.17Å; F230-A234 HydrophobicContact CE2-CB 4.26Å; F230-A234 HydrophobicContact CZ-CB 3.95Å; F230-A234 PolarHBondContact O-N 3.43Å; A234-A237 WeakPolarHBondContact O-CB 2.98Å; A234-A237 PolarHBondContact O-N 3.06Å; A234-G238 PolarHBondContact O-N 2.84Å |
| 235 | F | 98.2 | Very high | 95.7 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 38% | 0.377 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.5 | -50.1 | 172.4 | 177.2 | -88.7 | 0 | 0 | 0 | 111.8 | Q231 F233 A237 G238 Q239 K387 | Q231-F235 WeakPolarHBondContact O-CB 3.36Å; Q231-F235 PolarHBondContact O-N 3.12Å; F233-F235 VanDerWaalsContact C-N 3.32Å; F233-F235 PolarHBondContact O-N 3.15Å; F235-A237 VanDerWaalsContact C-N 3.3Å; F235-A237 PolarHBondContact O-N 3.34Å; F235-G238 PolarHBondContact O-N 2.93Å; F235-G238 VanDerWaalsContact O-N 3.16Å; F235-Q239 HydrophobicContact CD1-CG 4.33Å; F235-Q239 HydrophobicContact CE1-CG 3.91Å; F235-Q239 HydrophobicContact CZ-CG 4.26Å; F235-Q239 PolarHBondContact O-N 3.03Å; F235-Q239 VanDerWaalsContact O-N 3.12Å; F235-K387 HydrophobicContact CB-CD 4.25Å; F235-K387 HydrophobicContact CB-CG 4.03Å; F235-K387 HydrophobicContact CD1-CB 3.57Å; F235-K387 HydrophobicContact CD1-CD 4Å; F235-K387 HydrophobicContact CD1-CG 3.54Å; F235-K387 HydrophobicContact CE1-CB 3.87Å; F235-K387 HydrophobicContact CE1-CG 4.27Å; F235-K387 HydrophobicContact CG-CB 4.42Å; F235-K387 HydrophobicContact CG-CD 4.03Å; F235-K387 HydrophobicContact CG-CG 3.93Å |
| 236 | C | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 177.9 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | D232 F233 G238 Q239 L240 F330 C384 | D232-C236 PolarHBondContact O-N 3.43Å; D232-C236 VanDerWaalsContact O-N 3.17Å; D232-C236 PolarHBondContact O-SG 2.89Å; F233-C236 PolarHBondContact O-N 3.19Å; C236-G238 VanDerWaalsContact C-N 3.32Å; C236-G238 PolarHBondContact O-N 2.89Å; C236-Q239 PolarHBondContact O-N 3.14Å; C236-L240 WeakPolarHBondContact O-CG 3.37Å; C236-L240 PolarHBondContact O-N 3.44Å; C236-F330 HydrophobicContact CB-CE1 3.54Å; C236-F330 HydrophobicContact CB-CZ 3.86Å; C236-C384 HydrophobicContact CB-CB 4.47Å; C236-C384 VanDerWaalsContact SG-SG 3.65Å |
| 237 | A | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A209 F212 F213 F233 A234 F235 Q239 L240 I241 | A209-A237 HydrophobicContact CB-CB 3.49Å; A209-A237 VanDerWaalsContact CB-CB 3.49Å; F212-A237 HydrophobicContact CD1-CB 4.28Å; F213-A237 HydrophobicContact CD2-CB 4.02Å; F213-A237 HydrophobicContact CE2-CB 3.59Å; F233-A237 WeakPolarHBondContact O-CB 3.44Å; F233-A237 PolarHBondContact O-N 3.16Å; A234-A237 WeakPolarHBondContact O-CB 2.98Å; A234-A237 PolarHBondContact O-N 3.06Å; F235-A237 VanDerWaalsContact C-N 3.3Å; F235-A237 PolarHBondContact O-N 3.34Å; A237-Q239 VanDerWaalsContact C-N 3.29Å; A237-Q239 PolarHBondContact O-N 2.83Å; A237-L240 PolarHBondContact O-N 2.91Å; A237-L240 VanDerWaalsContact O-N 3.14Å; A237-I241 WeakPolarHBondContact O-CB 3.42Å; A237-I241 VanDerWaalsContact O-CG1 3.24Å; A237-I241 WeakPolarHBondContact O-CG1 3.26Å; A237-I241 PolarHBondContact O-N 3.37Å |
| 238 | G | 95.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A234 F235 C236 N242 | A234-G238 PolarHBondContact O-N 2.84Å; F235-G238 PolarHBondContact O-N 2.93Å; F235-G238 VanDerWaalsContact O-N 3.16Å; C236-G238 VanDerWaalsContact C-N 3.32Å; C236-G238 PolarHBondContact O-N 2.89Å; G238-N242 VanDerWaalsContact O-CB 3.27Å; G238-N242 WeakPolarHBondContact O-CB 3.4Å; G238-N242 PolarHBondContact O-N 2.92Å; G238-N242 PolarHBondContact O-ND2 3.49Å |
| 239 | Q | 96.5 | Very high | 90.5 | Very high | 43 Ų | 43 | 31.1 Ų | 31.1 | 20% | 0.201 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.5 | -62.1 | -62.8 | -61.4 | 0 | 0 | 111.8 | F235 C236 A237 N243 V380 S383 | F235-Q239 HydrophobicContact CD1-CG 4.33Å; F235-Q239 HydrophobicContact CE1-CG 3.91Å; F235-Q239 HydrophobicContact CZ-CG 4.26Å; F235-Q239 PolarHBondContact O-N 3.03Å; F235-Q239 VanDerWaalsContact O-N 3.12Å; C236-Q239 PolarHBondContact O-N 3.14Å; A237-Q239 VanDerWaalsContact C-N 3.29Å; A237-Q239 PolarHBondContact O-N 2.83Å; Q239-N243 WeakPolarHBondContact O-CB 3.43Å; Q239-N243 PolarHBondContact O-N 3.41Å; Q239-N243 PolarHBondContact O-ND2 2.91Å; Q239-V380 HydrophobicContact CB-CG1 4.1Å; Q239-V380 HydrophobicContact CB-CG2 4.4Å; Q239-V380 WeakPolarHBondContact O-CG2 3.19Å; Q239-S383 PolarHBondContact OE1-OG 3.28Å |
| 240 | L | 95.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 177.4 | -68.2 | 163.1 | 0 | 0 | 0 | 111.8 | F212 F218 C236 A237 N243 W244 F329 F330 V380 | F212-L240 HydrophobicContact CE1-CB 3.67Å; F212-L240 HydrophobicContact CE1-CD1 3.93Å; F212-L240 HydrophobicContact CE1-CG 4.43Å; F212-L240 HydrophobicContact CZ-CB 3.81Å; F218-L240 HydrophobicContact CZ-CD1 4.23Å; C236-L240 WeakPolarHBondContact O-CG 3.37Å; C236-L240 PolarHBondContact O-N 3.44Å; A237-L240 PolarHBondContact O-N 2.91Å; A237-L240 VanDerWaalsContact O-N 3.14Å; L240-N243 PolarHBondContact O-N 2.87Å; L240-W244 HydrophobicContact CD2-CD2 3.67Å; L240-W244 HydrophobicContact CD2-CE3 3.09Å; L240-W244 HydrophobicContact CD2-CG 4.38Å; L240-W244 HydrophobicContact CD2-CH2 4.05Å; L240-W244 HydrophobicContact CD2-CZ3 3.31Å; L240-W244 WeakPolarHBondContact O-CA 3.46Å; L240-W244 WeakPolarHBondContact O-CB 3.18Å; L240-W244 PolarHBondContact O-N 3.45Å; L240-F329 HydrophobicContact CD1-CE1 4.27Å; L240-F329 HydrophobicContact CD2-CE1 4.25Å; L240-F329 HydrophobicContact CD2-CZ 4.43Å; L240-F330 HydrophobicContact CD1-CZ 3.93Å; L240-V380 HydrophobicContact CD2-CG1 3.76Å; L240-V380 HydrophobicContact CG-CG1 4.13Å |
| 241 | I | 92.9 | Very high | 86.2 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 178.3 | -67.5 | 163 | 0 | 0 | 0 | 110.2 | A208 F212 A237 N243 T245 | A208-I241 HydrophobicContact CB-CD1 4.46Å; F212-I241 HydrophobicContact CB-CD1 3.82Å; F212-I241 HydrophobicContact CB-CG1 4.16Å; F212-I241 HydrophobicContact CD1-CD1 4.4Å; F212-I241 HydrophobicContact CD1-CG1 4.13Å; F212-I241 HydrophobicContact CD2-CD1 4.31Å; F212-I241 HydrophobicContact CD2-CG1 3.69Å; F212-I241 HydrophobicContact CE1-CG1 4.46Å; F212-I241 HydrophobicContact CE2-CG1 4.05Å; F212-I241 HydrophobicContact CG-CD1 3.94Å; F212-I241 HydrophobicContact CG-CG1 3.72Å; F212-I241 HydrophobicContact CZ-CG1 4.42Å; A237-I241 WeakPolarHBondContact O-CB 3.42Å; A237-I241 VanDerWaalsContact O-CG1 3.24Å; A237-I241 WeakPolarHBondContact O-CG1 3.26Å; A237-I241 PolarHBondContact O-N 3.37Å; I241-N243 PolarHBondContact O-N 3.4Å; I241-T245 PolarHBondContact O-OG1 3.48Å |
| 242 | N | 91.1 | Very high | 83.9 | Confident | 94 Ų | 94 | 44.8 Ų | 44.8 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -76 | -9.2 | -173.9 | -66.2 | -17.4 | 0 | 0 | 0 | 114.2 | G238 A248 | G238-N242 VanDerWaalsContact O-CB 3.27Å; G238-N242 WeakPolarHBondContact O-CB 3.4Å; G238-N242 PolarHBondContact O-N 2.92Å; G238-N242 PolarHBondContact O-ND2 3.49Å; N242-A248 WeakPolarHBondContact O-CB 3.22Å |
| 243 | N | 92.9 | Very high | 81.6 | Confident | 55 Ų | 55 | 47.6 Ų | 47.6 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -130.8 | -30 | -175 | -62.8 | -88.9 | 0 | 0 | 0 | 113.5 | Q239 L240 I241 R376 V380 | Q239-N243 WeakPolarHBondContact O-CB 3.43Å; Q239-N243 PolarHBondContact O-N 3.41Å; Q239-N243 PolarHBondContact O-ND2 2.91Å; L240-N243 PolarHBondContact O-N 2.87Å; I241-N243 PolarHBondContact O-N 3.4Å; N243-R376 PolarHBondContact O-NE 3.2Å; N243-R376 PolarHBondContact O-NH2 3.28Å; N243-V380 HydrophobicContact CB-CG2 3.48Å; N243-V380 VanDerWaalsContact CB-CG2 3.48Å |
| 244 | W | 93.6 | Very high | 79.3 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -114.6 | 3.9 | -170 | -66.8 | 4.5 | 0 | 0 | 0 | 113.9 | L240 L260 D261 F264 L320 F329 R376 Y377 V380 I381 | L240-W244 HydrophobicContact CD2-CD2 3.67Å; L240-W244 HydrophobicContact CD2-CE3 3.09Å; L240-W244 HydrophobicContact CD2-CG 4.38Å; L240-W244 HydrophobicContact CD2-CH2 4.05Å; L240-W244 HydrophobicContact CD2-CZ3 3.31Å; L240-W244 WeakPolarHBondContact O-CA 3.46Å; L240-W244 WeakPolarHBondContact O-CB 3.18Å; L240-W244 PolarHBondContact O-N 3.45Å; W244-L260 HydrophobicContact CB-CD2 3.94Å; W244-L260 CarbonylContact O-C 3.52Å; W244-L260 WeakPolarHBondContact O-CA 3.48Å; W244-D261 WeakPolarHBondContact O-CB 3.4Å; W244-D261 PolarHBondContact O-N 3.43Å; W244-F264 HydrophobicContact CB-CD1 4.48Å; W244-F264 HydrophobicContact CB-CE1 4.29Å; W244-F264 AromaticContact CD1-CE1 3.38Å; W244-F264 AromaticContact CD1-CZ 3.91Å; W244-F264 AromaticContact CD2-CE1 3.95Å; W244-F264 HydrophobicContact CD2-CE1 3.95Å; W244-F264 AromaticContact CE2-CE1 3.97Å; W244-F264 HydrophobicContact CG-CD1 4.3Å; W244-F264 AromaticContact CG-CE1 3.65Å; W244-F264 HydrophobicContact CG-CE1 3.65Å; W244-F264 AromaticContact NE1-CE1 3.59Å; W244-F264 AromaticContact NE1-CZ 3.79Å; W244-L320 HydrophobicContact CE3-CD1 4.46Å; W244-L320 HydrophobicContact CH2-CD1 3.87Å; W244-L320 HydrophobicContact CZ3-CD1 3.63Å; W244-F329 AromaticContact CH2-CE2 3.72Å; W244-F329 HydrophobicContact CH2-CE2 3.72Å; W244-F329 AromaticContact CH2-CZ 3.77Å; W244-F329 HydrophobicContact CH2-CZ 3.77Å; W244-F329 AromaticContact CZ3-CE2 3.88Å; W244-F329 HydrophobicContact CZ3-CE2 3.88Å; W244-F329 AromaticContact CZ3-CZ 3.97Å; W244-F329 HydrophobicContact CZ3-CZ 3.97Å; W244-R376 PolarHBondContact NE1-O 3.07Å; W244-R376 VanDerWaalsContact NE1-O 3.13Å; W244-Y377 HydrophobicContact CH2-CD2 4.03Å; W244-Y377 AromaticContact CH2-CE2 3.97Å; W244-Y377 HydrophobicContact CH2-CE2 3.97Å; W244-Y377 AromaticContact CZ2-CD2 3.62Å; W244-Y377 HydrophobicContact CZ2-CD2 3.62Å; W244-Y377 HydrophobicContact CZ2-CE2 4.01Å; W244-V380 HydrophobicContact CD2-CG1 4.34Å; W244-V380 HydrophobicContact CD2-CG2 4.43Å; W244-V380 HydrophobicContact CG-CG2 4.37Å; W244-V380 HydrophobicContact CH2-CG1 4.15Å; W244-V380 HydrophobicContact CZ2-CB 3.64Å; W244-V380 HydrophobicContact CZ2-CG1 3.72Å; W244-V380 HydrophobicContact CZ2-CG2 4.31Å; W244-V380 VanDerWaalsContact NE1-CG2 3.27Å; W244-I381 HydrophobicContact CH2-CD1 4.08Å; W244-I381 HydrophobicContact CH2-CG1 4.44Å; W244-I381 HydrophobicContact CZ2-CD1 4.44Å; W244-I381 HydrophobicContact CZ2-CG1 4.3Å |
| 245 | T | 89.3 | Confident | 76.9 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -96.9 | 166.4 | 170.5 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | F212 I241 A248 D257 D259 | F212-T245 HydrophobicContact CE2-CG2 3.95Å; I241-T245 PolarHBondContact O-OG1 3.48Å; T245-A248 WeakPolarHBondContact O-CB 3.47Å; T245-A248 PolarHBondContact O-N 2.99Å; T245-D257 WeakPolarHBondContact CG2-O 3.42Å; T245-D259 WeakPolarHBondContact CA-O 3.14Å; T245-D259 WeakPolarHBondContact CB-O 3.4Å |
| 246 | V | 78.5 | Confident | 74.8 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 21% | 0.212 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -61 | -46 | -174.2 | 178.5 | 0 | 0 | 0 | 0 | 112 | A248 V253 D261 | V246-A248 PolarHBondContact O-N 3.09Å; V246-V253 HydrophobicContact CG1-CB 3.82Å; V246-V253 HydrophobicContact CG1-CG1 3.65Å; V246-V253 HydrophobicContact CG1-CG2 4.21Å; V246-D261 HydrophobicContact CG2-CB 4.27Å |
| 247 | G | 68.5 | Low | 73 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -76 | 4.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | D257 | G247-D257 WeakPolarHBondContact CA-OD1 3.43Å; G247-D257 PolarHBondContact N-OD1 3.01Å |
| 248 | A | 68.4 | Low | 71.3 | Confident | 35 Ų | 35 | 59 Ų | 59 | 29% | 0.289 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -70.2 | -31.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N242 T245 V246 | N242-A248 WeakPolarHBondContact O-CB 3.22Å; T245-A248 WeakPolarHBondContact O-CB 3.47Å; T245-A248 PolarHBondContact O-N 2.99Å; V246-A248 PolarHBondContact O-N 3.09Å |
| 249 | V | 58.9 | Low | 70.6 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 62% | 0.624 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -27.7 | -171.8 | -171.5 | 0 | 0 | 0 | 0 | 112 | ||
| 250 | D | 53.7 | Low | 70.3 | Confident | 91 Ų | 91 | 60 Ų | 60 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | trans | -135.8 | 107 | -176.6 | -147.8 | -11.3 | 0 | 0 | 0 | 111.6 | M252 V253 | D250-M252 PolarHBondContact O-N 3.4Å; D250-V253 HydrophobicContact CB-CG2 4.19Å | ||
| 251 | N | 50.8 | Low | 70.1 | Confident | 156 Ų | 156 | 61 Ų | 61 | 83% | 0.834 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 0.2 | 179.8 | -72.4 | -35 | 0 | 0 | 0 | 113.3 | ||
| 252 | M | 48.7 | Very low | 70 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 80% | 0.798 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -6.9 | -172.8 | -57.7 | -123.6 | 84.8 | 0 | 0 | 113.6 | D250 | D250-M252 PolarHBondContact O-N 3.4Š|
| 253 | V | 50.5 | Low | 70 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | trans | -89.1 | 118.8 | -179.2 | -166.2 | 0 | 0 | 0 | 0 | 109.5 | V246 D250 D255 | V246-V253 HydrophobicContact CG1-CB 3.82Å; V246-V253 HydrophobicContact CG1-CG1 3.65Å; V246-V253 HydrophobicContact CG1-CG2 4.21Å; D250-V253 HydrophobicContact CB-CG2 4.19Å; V253-D255 HydrophobicContact CG1-CB 4.13Å; V253-D255 PolarHBondContact O-N 3.34Å; V253-D255 VanDerWaalsContact O-N 3.09Å | ||
| 254 | E | 49 | Very low | 70.1 | Confident | 143 Ų | 143 | 68.2 Ų | 68.2 | 67% | 0.668 | 36% | 0.359 | S | S | * | . | trans | -76.2 | 12.6 | -177.4 | -56.4 | -170.7 | 177.9 | 0 | 0 | 114.9 | K186 | K186-E254 HydrophobicContact CD-CB 4.36Å; K186-E254 WeakPolarHBondContact CD-O 3.5Å; K186-E254 WeakPolarHBondContact CE-O 3.26Å; K186-E254 PolarHBondContact NZ-O 3.2Å; K186-E254 IonicContact NZ-OE2 2.74Å; K186-E254 PolarHBondContact NZ-OE2 2.89Å | ||
| 255 | D | 47.8 | Very low | 70.2 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -89.8 | 155.8 | -177.2 | -91.5 | -19.2 | 0 | 0 | 0 | 112 | V253 D257 | V253-D255 HydrophobicContact CG1-CB 4.13Å; V253-D255 PolarHBondContact O-N 3.34Å; V253-D255 VanDerWaalsContact O-N 3.09Å; D255-D257 PolarHBondContact O-N 3.4Å |
| 256 | M | 53.9 | Low | 70.5 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | trans | -57.3 | 115.1 | -171.5 | -60.1 | -65.2 | -60.6 | 0 | 0 | 112.6 | E183 L185 V258 D259 | E183-M256 VanDerWaalsContact C-CE 3.49Å; E183-M256 WeakPolarHBondContact O-CE 3.27Å; L185-M256 WeakPolarHBondContact O-CE 3.33Å; M256-V258 PolarHBondContact O-N 3.07Å; M256-D259 PolarHBondContact O-N 3.47Å | ||
| 257 | D | 59.8 | Low | 71.3 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 3.2 | 178.7 | -81.4 | -17.8 | 0 | 0 | 0 | 115.7 | G187 P188 T245 G247 D255 | G187-D257 WeakPolarHBondContact CA-OD2 3.43Å; G187-D257 VanDerWaalsContact O-OD2 3.08Å; P188-D257 VanDerWaalsContact CA-OD2 3.23Å; P188-D257 WeakPolarHBondContact CA-OD2 3.38Å; T245-D257 WeakPolarHBondContact CG2-O 3.42Å; G247-D257 WeakPolarHBondContact CA-OD1 3.43Å; G247-D257 PolarHBondContact N-OD1 3.01Å; D255-D257 PolarHBondContact O-N 3.4Å |
| 258 | V | 61.8 | Low | 72.7 | Confident | 13 Ų | 13 | 75 Ų | 75 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -16.1 | -177.5 | -159.8 | 0 | 0 | 0 | 0 | 112.1 | L189 V211 N215 M256 | L189-V258 HydrophobicContact CD1-CG2 4.26Å; L189-V258 HydrophobicContact CD2-CG1 4.46Å; L189-V258 HydrophobicContact CD2-CG2 4.41Å; V211-V258 HydrophobicContact CG1-CG1 4.11Å; N215-V258 HydrophobicContact CB-CG1 4Å; N215-V258 PolarHBondContact ND2-O 3.11Å; M256-V258 PolarHBondContact O-N 3.07Å |
| 259 | D | 80.4 | Confident | 74.1 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -94.2 | 140 | -178.7 | -75 | -14.6 | 0 | 0 | 0 | 111.5 | N215 T245 M256 | N215-D259 PolarHBondContact ND2-OD1 3.35Å; T245-D259 WeakPolarHBondContact CA-O 3.14Å; T245-D259 WeakPolarHBondContact CB-O 3.4Å; M256-D259 PolarHBondContact O-N 3.47Å |
| 260 | L | 89.7 | Confident | 75.8 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -63 | 136.7 | 171.7 | -67.8 | 170.4 | 0 | 0 | 0 | 110 | F212 W244 K262 L265 V326 | F212-L260 HydrophobicContact CE2-CD2 4.33Å; F212-L260 HydrophobicContact CZ-CD2 3.87Å; F212-L260 HydrophobicContact CZ-CG 4.46Å; W244-L260 HydrophobicContact CB-CD2 3.94Å; W244-L260 CarbonylContact O-C 3.52Å; W244-L260 WeakPolarHBondContact O-CA 3.48Å; L260-K262 PolarHBondContact O-N 3.08Å; L260-L265 HydrophobicContact CB-CD1 3.81Å; L260-L265 HydrophobicContact CD1-CD1 4.19Å; L260-V326 HydrophobicContact CD1-CG1 3.61Å; L260-V326 HydrophobicContact CD1-CG2 4.17Å |
| 261 | D | 91.3 | Very high | 77.9 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | trans | -63.3 | 100.2 | 177.4 | 176.9 | -8.2 | 0 | 0 | 0 | 110 | W244 V246 E263 F264 L265 R376 | W244-D261 WeakPolarHBondContact O-CB 3.4Å; W244-D261 PolarHBondContact O-N 3.43Å; V246-D261 HydrophobicContact CG2-CB 4.27Å; D261-E263 VanDerWaalsContact C-N 3.26Å; D261-E263 PolarHBondContact O-N 2.91Å; D261-E263 PolarHBondContact OD1-N 3.02Å; D261-E263 VanDerWaalsContact OD1-N 3.12Å; D261-F264 HydrophobicContact CB-CB 3.91Å; D261-F264 PolarHBondContact O-N 3.24Å; D261-F264 PolarHBondContact OD1-N 3.05Å; D261-F264 VanDerWaalsContact OD2-CB 3.29Å; D261-F264 WeakPolarHBondContact OD2-CB 3.33Å; D261-L265 VanDerWaalsContact O-CG 3.28Å; D261-L265 WeakPolarHBondContact O-CG 3.38Å; D261-L265 PolarHBondContact O-N 3.4Å; D261-R376 IonicContact OD2-CZ 3.79Å; D261-R376 IonicContact OD2-NH1 2.92Å; D261-R376 PolarHBondContact OD2-NH1 3.3Å; D261-R376 IonicContact OD2-NH2 3.36Å; D261-R376 PolarHBondContact OD2-NH2 2.9Å | ||
| 262 | K | 90.9 | Very high | 80.1 | Confident | 163 Ų | 163 | 69.8 Ų | 69.8 | 71% | 0.709 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.7 | -29.7 | -175.5 | -67.5 | 178.4 | -175.6 | 162.6 | 0 | 112.6 | L260 Q266 | L260-K262 PolarHBondContact O-N 3.08Å; K262-Q266 WeakPolarHBondContact O-CB 3.45Å; K262-Q266 PolarHBondContact O-N 3.26Å |
| 263 | E | 92.3 | Very high | 82.3 | Confident | 154 Ų | 154 | 64.2 Ų | 64.2 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -69.1 | -50 | 177.7 | -64 | -171.8 | 168.6 | 0 | 0 | 109.3 | D261 L265 Q266 E267 | D261-E263 VanDerWaalsContact C-N 3.26Å; D261-E263 PolarHBondContact O-N 2.91Å; D261-E263 PolarHBondContact OD1-N 3.02Å; D261-E263 VanDerWaalsContact OD1-N 3.12Å; E263-L265 VanDerWaalsContact C-N 3.35Å; E263-L265 PolarHBondContact O-N 3.5Å; E263-Q266 WeakPolarHBondContact O-CA 3.38Å; E263-Q266 WeakPolarHBondContact O-CB 3.29Å; E263-Q266 PolarHBondContact O-N 3.11Å; E263-E267 WeakPolarHBondContact O-CG 3.25Å; E263-E267 PolarHBondContact O-N 2.88Å |
| 264 | F | 94.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 172.9 | 171.1 | -115.2 | 0 | 0 | 0 | 112.7 | W244 D261 Q266 E267 L268 V373 R376 | W244-F264 HydrophobicContact CB-CD1 4.48Å; W244-F264 HydrophobicContact CB-CE1 4.29Å; W244-F264 AromaticContact CD1-CE1 3.38Å; W244-F264 AromaticContact CD1-CZ 3.91Å; W244-F264 AromaticContact CD2-CE1 3.95Å; W244-F264 HydrophobicContact CD2-CE1 3.95Å; W244-F264 AromaticContact CE2-CE1 3.97Å; W244-F264 HydrophobicContact CG-CD1 4.3Å; W244-F264 AromaticContact CG-CE1 3.65Å; W244-F264 HydrophobicContact CG-CE1 3.65Å; W244-F264 AromaticContact NE1-CE1 3.59Å; W244-F264 AromaticContact NE1-CZ 3.79Å; D261-F264 HydrophobicContact CB-CB 3.91Å; D261-F264 PolarHBondContact O-N 3.24Å; D261-F264 PolarHBondContact OD1-N 3.05Å; D261-F264 VanDerWaalsContact OD2-CB 3.29Å; D261-F264 WeakPolarHBondContact OD2-CB 3.33Å; F264-Q266 PolarHBondContact O-N 3.49Å; F264-E267 WeakPolarHBondContact O-CB 3.26Å; F264-E267 PolarHBondContact O-N 3.26Å; F264-E267 VanDerWaalsContact O-N 3.09Å; F264-L268 HydrophobicContact CE1-CD1 4.24Å; F264-L268 HydrophobicContact CE1-CD2 4.3Å; F264-L268 HydrophobicContact CE1-CG 4.41Å; F264-L268 HydrophobicContact CE2-CD2 3.84Å; F264-L268 HydrophobicContact CE2-CG 4.39Å; F264-L268 HydrophobicContact CZ-CD1 4.4Å; F264-L268 HydrophobicContact CZ-CD2 3.66Å; F264-L268 HydrophobicContact CZ-CG 4.21Å; F264-L268 WeakPolarHBondContact O-CG 3.22Å; F264-L268 PolarHBondContact O-N 3.04Å; F264-L268 VanDerWaalsContact O-N 3.09Å; F264-V373 HydrophobicContact CD2-CG1 4.49Å; F264-V373 HydrophobicContact CE2-CG1 4.06Å; F264-R376 VanDerWaalsContact CB-NH1 3.32Å; F264-R376 HydrophobicContact CD2-CG 4.31Å; F264-R376 HydrophobicContact CE1-CG 4.4Å; F264-R376 HydrophobicContact CE2-CB 3.85Å; F264-R376 HydrophobicContact CE2-CG 3.67Å; F264-R376 HydrophobicContact CZ-CB 4.11Å; F264-R376 HydrophobicContact CZ-CG 3.71Å |
| 265 | L | 95.2 | Very high | 86.7 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -30.9 | 177.9 | -67.4 | -174.9 | 0 | 0 | 0 | 112.4 | L260 D261 E263 L268 L320 T321 | L260-L265 HydrophobicContact CB-CD1 3.81Å; L260-L265 HydrophobicContact CD1-CD1 4.19Å; D261-L265 VanDerWaalsContact O-CG 3.28Å; D261-L265 WeakPolarHBondContact O-CG 3.38Å; D261-L265 PolarHBondContact O-N 3.4Å; E263-L265 VanDerWaalsContact C-N 3.35Å; E263-L265 PolarHBondContact O-N 3.5Å; L265-L268 HydrophobicContact CD2-CD1 3.78Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L320 HydrophobicContact CD2-CB 3.87Å; L265-L320 HydrophobicContact CD2-CD1 4.3Å; L265-T321 HydrophobicContact CB-CG2 4.27Å; L265-T321 VanDerWaalsContact O-CG2 3.22Å; L265-T321 WeakPolarHBondContact O-CG2 3.34Å |
| 266 | Q | 95.8 | Very high | 89 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73 | -39.8 | 174.8 | -179.5 | 60.6 | 34.4 | 0 | 0 | 111.5 | K262 E263 F264 L268 K269 | K262-Q266 WeakPolarHBondContact O-CB 3.45Å; K262-Q266 PolarHBondContact O-N 3.26Å; E263-Q266 WeakPolarHBondContact O-CA 3.38Å; E263-Q266 WeakPolarHBondContact O-CB 3.29Å; E263-Q266 PolarHBondContact O-N 3.11Å; F264-Q266 PolarHBondContact O-N 3.49Å; Q266-L268 PolarHBondContact O-N 3.23Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.94Å |
| 267 | E | 96.3 | Very high | 91 | Very high | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -29.6 | 174.5 | -67.2 | 178.9 | 164.3 | 0 | 0 | 113 | E263 F264 K269 E270 V373 | E263-E267 WeakPolarHBondContact O-CG 3.25Å; E263-E267 PolarHBondContact O-N 2.88Å; F264-E267 WeakPolarHBondContact O-CB 3.26Å; F264-E267 PolarHBondContact O-N 3.26Å; F264-E267 VanDerWaalsContact O-N 3.09Å; E267-K269 PolarHBondContact O-N 3.46Å; E267-E270 WeakPolarHBondContact O-CB 3.47Å; E267-E270 PolarHBondContact O-N 2.81Å; E267-V373 HydrophobicContact CB-CG1 4.12Å; E267-V373 HydrophobicContact CB-CG2 4.02Å; E267-V373 WeakPolarHBondContact OE2-CG2 3.29Å |
| 268 | L | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -57.1 | -22.7 | 175.7 | -67.3 | -179.6 | 0 | 0 | 0 | 113.6 | F264 L265 Q266 E270 L271 A317 L320 V373 Y377 | F264-L268 HydrophobicContact CE1-CD1 4.24Å; F264-L268 HydrophobicContact CE1-CD2 4.3Å; F264-L268 HydrophobicContact CE1-CG 4.41Å; F264-L268 HydrophobicContact CE2-CD2 3.84Å; F264-L268 HydrophobicContact CE2-CG 4.39Å; F264-L268 HydrophobicContact CZ-CD1 4.4Å; F264-L268 HydrophobicContact CZ-CD2 3.66Å; F264-L268 HydrophobicContact CZ-CG 4.21Å; F264-L268 WeakPolarHBondContact O-CG 3.22Å; F264-L268 PolarHBondContact O-N 3.04Å; F264-L268 VanDerWaalsContact O-N 3.09Å; L265-L268 HydrophobicContact CD2-CD1 3.78Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; Q266-L268 PolarHBondContact O-N 3.23Å; L268-E270 PolarHBondContact O-N 3.12Å; L268-L271 HydrophobicContact CD2-CD1 3.74Å; L268-L271 WeakPolarHBondContact O-CB 3.41Å; L268-L271 WeakPolarHBondContact O-CG 3.47Å; L268-L271 PolarHBondContact O-N 2.86Å; L268-A317 HydrophobicContact CB-CB 4.16Å; L268-A317 HydrophobicContact CD1-CB 4.42Å; L268-A317 HydrophobicContact CD2-CB 4.43Å; L268-L320 HydrophobicContact CD1-CB 4.33Å; L268-L320 HydrophobicContact CD1-CD1 3.81Å; L268-V373 HydrophobicContact CD2-CG1 3.86Å; L268-Y377 HydrophobicContact CD1-CD2 4.16Å; L268-Y377 HydrophobicContact CD2-CD2 3.74Å; L268-Y377 HydrophobicContact CD2-CG 3.84Å |
| 269 | K | 96.7 | Very high | 94.4 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -64.8 | -29.5 | 176.9 | -72 | 174.4 | 178 | 163.5 | 0 | 112.5 | Q266 E267 L271 K272 T321 | Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.94Å; E267-K269 PolarHBondContact O-N 3.46Å; K269-L271 PolarHBondContact O-N 3.13Å; K269-K272 WeakPolarHBondContact O-CB 3.25Å; K269-K272 PolarHBondContact O-N 2.98Å; K269-K272 VanDerWaalsContact O-N 3.17Å; K269-T321 HydrophobicContact CD-CG2 4.43Å; K269-T321 WeakPolarHBondContact CE-OG1 3.42Å; K269-T321 PolarHBondContact NZ-OG1 2.77Å; K269-T321 VanDerWaalsContact NZ-OG1 3.12Å |
| 270 | E | 96.1 | Very high | 95.1 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -67.9 | -24.3 | 179.2 | -56.9 | -53.4 | 128.2 | 0 | 0 | 112 | E267 L268 K272 V273 H370 | E267-E270 WeakPolarHBondContact O-CB 3.47Å; E267-E270 PolarHBondContact O-N 2.81Å; L268-E270 PolarHBondContact O-N 3.12Å; E270-K272 PolarHBondContact O-N 3.43Å; E270-V273 WeakPolarHBondContact O-CG1 3.08Å; E270-V273 PolarHBondContact O-N 3.18Å; E270-H370 VanDerWaalsContact CB-CE1 3.5Å; E270-H370 WeakPolarHBondContact CB-CE1 3.37Å |
| 271 | L | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -61.3 | -18.4 | 174.8 | -57.2 | -178.5 | 0 | 0 | 0 | 113 | L268 K269 V273 L274 V314 A317 F368 H370 V373 W374 Y377 | L268-L271 HydrophobicContact CD2-CD1 3.74Å; L268-L271 WeakPolarHBondContact O-CB 3.41Å; L268-L271 WeakPolarHBondContact O-CG 3.47Å; L268-L271 PolarHBondContact O-N 2.86Å; K269-L271 PolarHBondContact O-N 3.13Å; L271-V273 PolarHBondContact O-N 3.31Å; L271-V273 VanDerWaalsContact O-N 3.1Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 3.44Å; L271-L274 VanDerWaalsContact O-N 3.09Å; L271-V314 HydrophobicContact CB-CG1 4.36Å; L271-V314 WeakPolarHBondContact O-CG1 3.28Å; L271-A317 HydrophobicContact CD1-CB 4.13Å; L271-F368 HydrophobicContact CD2-CE2 4.13Å; L271-F368 HydrophobicContact CD2-CZ 3.7Å; L271-H370 HydrophobicContact CD2-CB 3.96Å; L271-V373 HydrophobicContact CD1-CG1 4.36Å; L271-V373 HydrophobicContact CD2-CB 4.5Å; L271-V373 HydrophobicContact CD2-CG1 4.22Å; L271-V373 HydrophobicContact CG-CG1 4.3Å; L271-W374 HydrophobicContact CD1-CE3 4.07Å; L271-W374 HydrophobicContact CD2-CB 4.18Å; L271-W374 HydrophobicContact CD2-CE3 4.08Å; L271-Y377 HydrophobicContact CD1-CD1 3.99Å; L271-Y377 HydrophobicContact CD1-CG 4.17Å |
| 272 | K | 96.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 63.2 Ų | 63.2 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -56 | -27.8 | 178.6 | -163.5 | 170.7 | -177.6 | 179.8 | 0 | 112.9 | K269 E270 L274 I275 T276 T318 | K269-K272 WeakPolarHBondContact O-CB 3.25Å; K269-K272 PolarHBondContact O-N 2.98Å; K269-K272 VanDerWaalsContact O-N 3.17Å; E270-K272 PolarHBondContact O-N 3.43Å; K272-L274 PolarHBondContact O-N 3.41Å; K272-I275 HydrophobicContact CG-CG1 4.41Å; K272-I275 WeakPolarHBondContact O-CG1 3.45Å; K272-I275 PolarHBondContact O-N 2.97Å; K272-T276 HydrophobicContact CD-CG2 4.38Å; K272-T276 HydrophobicContact CG-CG2 3.78Å; K272-T276 PolarHBondContact O-N 3.33Å; K272-T276 VanDerWaalsContact O-N 3.08Å; K272-T276 PolarHBondContact O-OG1 3.42Å; K272-T276 VanDerWaalsContact O-OG1 3.1Å; K272-T318 HydrophobicContact CB-CG2 3.73Å; K272-T318 HydrophobicContact CD-CG2 4.25Å; K272-T318 HydrophobicContact CG-CG2 4.12Å |
| 273 | V | 95.8 | Very high | 96 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.4 | -36.1 | 176.8 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | E270 L271 I275 T276 D277 L280 F368 | E270-V273 WeakPolarHBondContact O-CG1 3.08Å; E270-V273 PolarHBondContact O-N 3.18Å; L271-V273 PolarHBondContact O-N 3.31Å; L271-V273 VanDerWaalsContact O-N 3.1Å; V273-I275 PolarHBondContact O-N 2.87Å; V273-I275 VanDerWaalsContact O-N 3.09Å; V273-T276 WeakPolarHBondContact CA-OG1 3.34Å; V273-T276 PolarHBondContact O-N 3.29Å; V273-D277 HydrophobicContact CG2-CB 4.38Å; V273-D277 WeakPolarHBondContact O-CB 3.05Å; V273-D277 PolarHBondContact O-N 2.85Å; V273-D277 VanDerWaalsContact O-N 3.08Å; V273-L280 HydrophobicContact CG2-CD1 4.13Å; V273-F368 HydrophobicContact CG1-CD2 4.01Å; V273-F368 HydrophobicContact CG1-CE2 4.18Å |
| 274 | L | 95.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -23.2 | 179.3 | -74.5 | 174.3 | 0 | 0 | 0 | 113.8 | L271 K272 L281 V314 L365 F368 W374 | L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 3.44Å; L271-L274 VanDerWaalsContact O-N 3.09Å; K272-L274 PolarHBondContact O-N 3.41Å; L274-L281 WeakPolarHBondContact O-CB 3.49Å; L274-V314 HydrophobicContact CB-CG2 4.49Å; L274-L365 HydrophobicContact CD2-CD1 3.73Å; L274-F368 HydrophobicContact CD1-CD2 4.28Å; L274-F368 HydrophobicContact CD1-CE1 4.25Å; L274-F368 HydrophobicContact CD1-CE2 3.66Å; L274-F368 HydrophobicContact CD1-CZ 3.65Å; L274-F368 HydrophobicContact CD2-CB 4.41Å; L274-F368 HydrophobicContact CD2-CD1 4.27Å; L274-F368 HydrophobicContact CD2-CD2 3.54Å; L274-F368 HydrophobicContact CD2-CE2 3.81Å; L274-F368 HydrophobicContact CD2-CG 3.81Å; L274-F368 HydrophobicContact CD2-CZ 4.3Å; L274-F368 HydrophobicContact CG-CD2 3.72Å; L274-F368 HydrophobicContact CG-CE2 3.49Å; L274-F368 VanDerWaalsContact CG-CE2 3.49Å; L274-F368 HydrophobicContact CG-CG 4.42Å; L274-F368 HydrophobicContact CG-CZ 4.02Å; L274-W374 HydrophobicContact CD1-CD2 4.34Å; L274-W374 HydrophobicContact CD1-CE3 3.87Å; L274-W374 HydrophobicContact CD1-CH2 3.97Å; L274-W374 HydrophobicContact CD1-CZ2 4.44Å; L274-W374 HydrophobicContact CD1-CZ3 3.67Å |
| 275 | I | 96.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -117 | -16.9 | -176.9 | 64.1 | 164.2 | 0 | 0 | 0 | 113.9 | K272 V273 L281 R311 V314 N315 | K272-I275 HydrophobicContact CG-CG1 4.41Å; K272-I275 WeakPolarHBondContact O-CG1 3.45Å; K272-I275 PolarHBondContact O-N 2.97Å; V273-I275 PolarHBondContact O-N 2.87Å; V273-I275 VanDerWaalsContact O-N 3.09Å; I275-L281 HydrophobicContact CG2-CD1 4.39Å; I275-R311 HydrophobicContact CB-CG 4.11Å; I275-R311 HydrophobicContact CD1-CB 4.48Å; I275-R311 HydrophobicContact CD1-CG 4.18Å; I275-R311 HydrophobicContact CG2-CG 4.23Å; I275-V314 HydrophobicContact CD1-CB 4.02Å; I275-V314 HydrophobicContact CD1-CG1 3.82Å; I275-V314 HydrophobicContact CG1-CB 4.27Å; I275-V314 HydrophobicContact CG1-CG1 3.84Å; I275-V314 HydrophobicContact CG2-CB 3.84Å; I275-V314 HydrophobicContact CG2-CG1 4.19Å; I275-V314 HydrophobicContact CG2-CG2 3.85Å; I275-N315 WeakPolarHBondContact CD1-OD1 3.48Å |
| 276 | T | 96.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 57% | 0.571 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -91.5 | -34.3 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | K272 V273 K278 | K272-T276 HydrophobicContact CD-CG2 4.38Å; K272-T276 HydrophobicContact CG-CG2 3.78Å; K272-T276 PolarHBondContact O-N 3.33Å; K272-T276 VanDerWaalsContact O-N 3.08Å; K272-T276 PolarHBondContact O-OG1 3.42Å; K272-T276 VanDerWaalsContact O-OG1 3.1Å; V273-T276 WeakPolarHBondContact CA-OG1 3.34Å; V273-T276 PolarHBondContact O-N 3.29Å; T276-K278 PolarHBondContact O-N 3.01Å |
| 277 | D | 95.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 56 Ų | 56 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -78 | 112.9 | 170.2 | -175.1 | -32.6 | 0 | 0 | 0 | 108.5 | V273 D279 L280 L281 | V273-D277 HydrophobicContact CG2-CB 4.38Å; V273-D277 WeakPolarHBondContact O-CB 3.05Å; V273-D277 PolarHBondContact O-N 2.85Å; V273-D277 VanDerWaalsContact O-N 3.08Å; D277-D279 VanDerWaalsContact C-N 3.32Å; D277-D279 PolarHBondContact O-N 3.14Å; D277-D279 PolarHBondContact OD1-N 2.79Å; D277-L280 HydrophobicContact CB-CB 3.99Å; D277-L280 HydrophobicContact CB-CD1 3.89Å; D277-L280 HydrophobicContact CB-CG 4.19Å; D277-L280 PolarHBondContact OD1-N 2.9Å; D277-L280 VanDerWaalsContact OD1-N 3.11Å; D277-L281 WeakPolarHBondContact O-CB 3.09Å; D277-L281 PolarHBondContact O-N 3.08Å |
| 278 | K | 95.6 | Very high | 96.8 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | -176.2 | -174.8 | -171.1 | 170.3 | -162.3 | 0 | 111.5 | T276 L281 D282 | T276-K278 PolarHBondContact O-N 3.01Å; K278-L281 PolarHBondContact O-N 3.32Å; K278-D282 WeakPolarHBondContact O-CB 3.35Å; K278-D282 PolarHBondContact O-N 2.74Å |
| 279 | D | 95.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -71.3 | -41.4 | -176.2 | -65.6 | -26.2 | 0 | 0 | 0 | 109.8 | D277 D282 Q283 | D277-D279 VanDerWaalsContact C-N 3.32Å; D277-D279 PolarHBondContact O-N 3.14Å; D277-D279 PolarHBondContact OD1-N 2.79Å; D279-D282 PolarHBondContact O-N 2.81Å; D279-Q283 WeakPolarHBondContact O-CB 3.33Å; D279-Q283 WeakPolarHBondContact O-CG 2.95Å; D279-Q283 PolarHBondContact O-N 3.13Å |
| 280 | L | 95.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 172.4 | -76.5 | 173.5 | 0 | 0 | 0 | 112.6 | V273 D277 D282 Q283 H284 L365 | V273-L280 HydrophobicContact CG2-CD1 4.13Å; D277-L280 HydrophobicContact CB-CB 3.99Å; D277-L280 HydrophobicContact CB-CD1 3.89Å; D277-L280 HydrophobicContact CB-CG 4.19Å; D277-L280 PolarHBondContact OD1-N 2.9Å; D277-L280 VanDerWaalsContact OD1-N 3.11Å; L280-D282 VanDerWaalsContact C-N 3.33Å; L280-D282 PolarHBondContact O-N 2.81Å; L280-Q283 PolarHBondContact O-N 3.03Å; L280-H284 WeakPolarHBondContact O-CB 3.29Å; L280-H284 PolarHBondContact O-N 2.98Å; L280-L365 HydrophobicContact CD2-CB 4.27Å |
| 281 | L | 97.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 178.5 | -179.4 | 62.9 | 0 | 0 | 0 | 111.9 | L274 I275 D277 K278 K285 F306 K307 | L274-L281 WeakPolarHBondContact O-CB 3.49Å; I275-L281 HydrophobicContact CG2-CD1 4.39Å; D277-L281 WeakPolarHBondContact O-CB 3.09Å; D277-L281 PolarHBondContact O-N 3.08Å; K278-L281 PolarHBondContact O-N 3.32Å; L281-K285 WeakPolarHBondContact O-CB 3.19Å; L281-K285 PolarHBondContact O-N 2.87Å; L281-F306 HydrophobicContact CD1-CE1 3.85Å; L281-K307 HydrophobicContact CD2-CD 4.28Å; L281-K307 HydrophobicContact CD2-CG 4.15Å; L281-K307 HydrophobicContact CG-CG 4.43Å |
| 282 | D | 97.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 179.1 | -76 | -24.8 | 0 | 0 | 0 | 111.8 | K278 D279 L280 K285 S286 K307 | K278-D282 WeakPolarHBondContact O-CB 3.35Å; K278-D282 PolarHBondContact O-N 2.74Å; D279-D282 PolarHBondContact O-N 2.81Å; L280-D282 VanDerWaalsContact C-N 3.33Å; L280-D282 PolarHBondContact O-N 2.81Å; D282-K285 WeakPolarHBondContact O-CB 3.43Å; D282-K285 PolarHBondContact O-N 3.24Å; D282-S286 PolarHBondContact O-N 3.05Å; D282-K307 WeakPolarHBondContact OD1-CE 3.18Å; D282-K307 IonicContact OD1-NZ 2.99Å; D282-K307 PolarHBondContact OD1-NZ 3.47Å; D282-K307 IonicContact OD2-NZ 2.64Å |
| 283 | Q | 97.4 | Very high | 96.8 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 171.4 | -74.1 | 173.6 | 24.3 | 0 | 0 | 111.7 | D279 L280 K285 S286 L287 L365 | D279-Q283 WeakPolarHBondContact O-CB 3.33Å; D279-Q283 WeakPolarHBondContact O-CG 2.95Å; D279-Q283 PolarHBondContact O-N 3.13Å; L280-Q283 PolarHBondContact O-N 3.03Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 2.93Å; Q283-S286 WeakPolarHBondContact O-CB 3.46Å; Q283-S286 PolarHBondContact O-N 3.24Å; Q283-S286 VanDerWaalsContact O-N 3.12Å; Q283-L287 WeakPolarHBondContact O-CG 3.34Å; Q283-L287 PolarHBondContact O-N 3.46Å; Q283-L365 HydrophobicContact CB-CD2 3.88Å |
| 284 | H | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 176.8 | -168.8 | -162.7 | 0 | 0 | 0 | 111 | L280 S286 L287 V288 F306 Y358 L365 | L280-H284 WeakPolarHBondContact O-CB 3.29Å; L280-H284 PolarHBondContact O-N 2.98Å; H284-S286 VanDerWaalsContact C-N 3.34Å; H284-S286 PolarHBondContact O-N 2.78Å; H284-L287 PolarHBondContact O-N 2.83Å; H284-V288 VanDerWaalsContact O-CG2 3.31Å; H284-V288 WeakPolarHBondContact O-CG2 3.47Å; H284-V288 PolarHBondContact O-N 3.42Å; H284-F306 HydrophobicContact CB-CZ 4.04Å; H284-F306 AromaticContact CG-CZ 3.79Å; H284-F306 AromaticContact ND1-CZ 3.77Å; H284-Y358 AromaticContact CE1-CD2 3.5Å; H284-Y358 AromaticContact CE1-CE2 3.19Å; H284-Y358 WeakPolarHBondContact CE1-CE2 3.47Å; H284-Y358 AromaticContact CE1-CZ 3.84Å; H284-Y358 PolarHBondContact CE1-O 3.39Å; H284-Y358 AromaticContact ND1-CE2 3.69Å; H284-Y358 AromaticContact NE2-CD2 3.89Å; H284-Y358 PolarHBondContact NE2-O 3.38Å; H284-L365 HydrophobicContact CB-CD1 3.89Å; H284-L365 HydrophobicContact CB-CD2 4.36Å |
| 285 | K | 98.3 | Very high | 96.7 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.8 | -49.9 | 173.4 | -176.6 | 174.5 | 168.4 | 169.6 | 0 | 111.2 | L281 D282 Q283 L287 V288 C289 E303 F306 | L281-K285 WeakPolarHBondContact O-CB 3.19Å; L281-K285 PolarHBondContact O-N 2.87Å; D282-K285 WeakPolarHBondContact O-CB 3.43Å; D282-K285 PolarHBondContact O-N 3.24Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 2.93Å; K285-L287 PolarHBondContact O-N 3.24Å; K285-V288 PolarHBondContact O-N 2.78Å; K285-C289 WeakPolarHBondContact O-CB 3.45Å; K285-C289 PolarHBondContact O-N 3.23Å; K285-C289 PolarHBondContact O-SG 3.41Å; K285-E303 WeakPolarHBondContact CE-O 3.35Å; K285-E303 PolarHBondContact NZ-O 2.86Å; K285-F306 VanDerWaalsContact CA-CE1 3.43Å; K285-F306 VanDerWaalsContact CA-CZ 3.41Å; K285-F306 HydrophobicContact CB-CD1 3.42Å; K285-F306 VanDerWaalsContact CB-CD1 3.42Å; K285-F306 HydrophobicContact CB-CD2 4.48Å; K285-F306 HydrophobicContact CB-CE1 3.42Å; K285-F306 VanDerWaalsContact CB-CE1 3.42Å; K285-F306 HydrophobicContact CB-CE2 4.47Å; K285-F306 HydrophobicContact CB-CG 3.99Å; K285-F306 HydrophobicContact CB-CZ 3.98Å; K285-F306 HydrophobicContact CD-CB 4.21Å; K285-F306 HydrophobicContact CD-CD1 4Å; K285-F306 HydrophobicContact CD-CG 4.25Å; K285-F306 HydrophobicContact CG-CB 4.12Å; K285-F306 HydrophobicContact CG-CD1 3.61Å; K285-F306 HydrophobicContact CG-CD2 4.35Å; K285-F306 HydrophobicContact CG-CE1 4.13Å; K285-F306 HydrophobicContact CG-CG 3.75Å; K285-F306 VanDerWaalsContact N-CZ 3.33Å |
| 286 | S | 98 | Very high | 96.7 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | -177.8 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | D282 Q283 H284 C289 T290 | D282-S286 PolarHBondContact O-N 3.05Å; Q283-S286 WeakPolarHBondContact O-CB 3.46Å; Q283-S286 PolarHBondContact O-N 3.24Å; Q283-S286 VanDerWaalsContact O-N 3.12Å; H284-S286 VanDerWaalsContact C-N 3.34Å; H284-S286 PolarHBondContact O-N 2.78Å; S286-C289 PolarHBondContact O-N 2.98Å; S286-T290 WeakPolarHBondContact O-CB 3.5Å; S286-T290 PolarHBondContact O-N 2.88Å; S286-T290 PolarHBondContact O-OG1 3.36Å |
| 287 | L | 97.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 66.2 Ų | 66.2 | 29% | 0.288 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 177.6 | -70.1 | 170.4 | 0 | 0 | 0 | 111.8 | Q283 H284 K285 T290 A291 I364 L365 | Q283-L287 WeakPolarHBondContact O-CG 3.34Å; Q283-L287 PolarHBondContact O-N 3.46Å; H284-L287 PolarHBondContact O-N 2.83Å; K285-L287 PolarHBondContact O-N 3.24Å; L287-T290 PolarHBondContact O-N 3.42Å; L287-A291 WeakPolarHBondContact O-CB 3.44Å; L287-A291 PolarHBondContact O-N 3.09Å; L287-I364 HydrophobicContact CD1-CB 3.99Å; L287-I364 HydrophobicContact CD1-CG2 4.09Å; L287-I364 HydrophobicContact CD2-CG2 4.27Å; L287-L365 HydrophobicContact CD1-CD2 3.83Å; L287-L365 HydrophobicContact CD1-CG 4.47Å |
| 288 | V | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 111 | H284 K285 T290 A291 L292 F306 Y354 S361 | H284-V288 VanDerWaalsContact O-CG2 3.31Å; H284-V288 WeakPolarHBondContact O-CG2 3.47Å; H284-V288 PolarHBondContact O-N 3.42Å; K285-V288 PolarHBondContact O-N 2.78Å; V288-T290 VanDerWaalsContact C-N 3.35Å; V288-T290 PolarHBondContact O-N 3.41Å; V288-A291 PolarHBondContact O-N 2.92Å; V288-L292 HydrophobicContact CG1-CD1 3.58Å; V288-L292 HydrophobicContact CG1-CG 4.31Å; V288-L292 WeakPolarHBondContact O-CB 3.44Å; V288-L292 VanDerWaalsContact O-CG 3.28Å; V288-L292 WeakPolarHBondContact O-CG 3.29Å; V288-L292 PolarHBondContact O-N 3.45Å; V288-F306 HydrophobicContact CB-CD2 4.32Å; V288-F306 HydrophobicContact CB-CE2 3.8Å; V288-F306 HydrophobicContact CG1-CD2 4.17Å; V288-F306 HydrophobicContact CG1-CE2 4Å; V288-F306 HydrophobicContact CG2-CE2 3.85Å; V288-Y354 HydrophobicContact CG1-CE2 4.36Å; V288-S361 WeakPolarHBondContact CG2-OG 3.15Å |
| 289 | C | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 178 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | K285 S286 A291 L292 R293 F299 | K285-C289 WeakPolarHBondContact O-CB 3.45Å; K285-C289 PolarHBondContact O-N 3.23Å; K285-C289 PolarHBondContact O-SG 3.41Å; S286-C289 PolarHBondContact O-N 2.98Å; C289-A291 VanDerWaalsContact C-N 3.3Å; C289-A291 PolarHBondContact O-N 2.91Å; C289-L292 PolarHBondContact O-N 2.83Å; C289-R293 WeakPolarHBondContact O-CB 3.42Å; C289-R293 PolarHBondContact O-N 3.49Å; C289-F299 HydrophobicContact CB-CE2 4.3Å; C289-F299 HydrophobicContact CB-CZ 4.24Å; C289-F299 VanDerWaalsContact O-CE2 3.29Å; C289-F299 WeakPolarHBondContact O-CE2 3.46Å |
| 290 | T | 97.5 | Very high | 96.6 | Very high | 98 Ų | 98 | 57.9 Ų | 57.9 | 60% | 0.601 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 174.8 | -60.2 | 0 | 0 | 0 | 0 | 111 | S286 L287 V288 | S286-T290 WeakPolarHBondContact O-CB 3.5Å; S286-T290 PolarHBondContact O-N 2.88Å; S286-T290 PolarHBondContact O-OG1 3.36Å; L287-T290 PolarHBondContact O-N 3.42Å; V288-T290 VanDerWaalsContact C-N 3.35Å; V288-T290 PolarHBondContact O-N 3.41Å |
| 291 | A | 96.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L287 V288 C289 K295 H357 | L287-A291 WeakPolarHBondContact O-CB 3.44Å; L287-A291 PolarHBondContact O-N 3.09Å; V288-A291 PolarHBondContact O-N 2.92Å; C289-A291 VanDerWaalsContact C-N 3.3Å; C289-A291 PolarHBondContact O-N 2.91Å; A291-K295 VanDerWaalsContact O-CD 3.24Å; A291-K295 WeakPolarHBondContact O-CD 3.47Å; A291-K295 WeakPolarHBondContact O-CE 3.17Å; A291-K295 PolarHBondContact O-NZ 3.01Å; A291-H357 HydrophobicContact CB-CB 4.26Å |
| 292 | L | 96.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -88.7 | -20.7 | -178.5 | -70.1 | 170.4 | 0 | 0 | 0 | 114 | V288 C289 G294 K295 F299 M302 L353 Y354 H357 | V288-L292 HydrophobicContact CG1-CD1 3.58Å; V288-L292 HydrophobicContact CG1-CG 4.31Å; V288-L292 WeakPolarHBondContact O-CB 3.44Å; V288-L292 VanDerWaalsContact O-CG 3.28Å; V288-L292 WeakPolarHBondContact O-CG 3.29Å; V288-L292 PolarHBondContact O-N 3.45Å; C289-L292 PolarHBondContact O-N 2.83Å; L292-G294 PolarHBondContact O-N 3.32Å; L292-K295 WeakPolarHBondContact O-CB 3.22Å; L292-K295 PolarHBondContact O-N 3.46Å; L292-F299 HydrophobicContact CB-CD2 3.88Å; L292-F299 HydrophobicContact CB-CE2 4.02Å; L292-M302 HydrophobicContact CD1-CB 4.47Å; L292-M302 HydrophobicContact CD1-SD 3.87Å; L292-M302 HydrophobicContact CD2-SD 4.27Å; L292-L353 HydrophobicContact CD2-CD2 3.94Å; L292-L353 HydrophobicContact CD2-CG 3.7Å; L292-Y354 HydrophobicContact CD1-CD2 3.81Å; L292-Y354 HydrophobicContact CD1-CE2 4.4Å; L292-H357 HydrophobicContact CD2-CB 4.34Å; L292-H357 HydrophobicContact CG-CB 4.41Å |
| 293 | R | 95.7 | Very high | 96.7 | Very high | 175 Ų | 175 | 61.8 Ų | 61.8 | 66% | 0.66 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 125.2 | -174.1 | -173.6 | 175.3 | -72.7 | -167.4 | -2.1 | 111.3 | C289 K295 F299 | C289-R293 WeakPolarHBondContact O-CB 3.42Å; C289-R293 PolarHBondContact O-N 3.49Å; R293-K295 VanDerWaalsContact C-N 3.29Å; R293-K295 PolarHBondContact O-N 3.37Å; R293-F299 HydrophobicContact CB-CE2 4.11Å; R293-F299 HydrophobicContact CB-CZ 4.32Å |
| 294 | G | 94.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 83% | 0.825 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 2.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L292 | L292-G294 PolarHBondContact O-N 3.32Š|
| 295 | K | 95.3 | Very high | 96.7 | Very high | 120 Ų | 120 | 62.2 Ų | 62.2 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -15.4 | -178.2 | -62.3 | -175 | -177.7 | 164.6 | 0 | 114.8 | A291 L292 R293 L353 H357 | A291-K295 VanDerWaalsContact O-CD 3.24Å; A291-K295 WeakPolarHBondContact O-CD 3.47Å; A291-K295 WeakPolarHBondContact O-CE 3.17Å; A291-K295 PolarHBondContact O-NZ 3.01Å; L292-K295 WeakPolarHBondContact O-CB 3.22Å; L292-K295 PolarHBondContact O-N 3.46Å; R293-K295 VanDerWaalsContact C-N 3.29Å; R293-K295 PolarHBondContact O-N 3.37Å; K295-L353 HydrophobicContact CB-CD2 3.9Å; K295-H357 PolarHBondContact NZ-NE2 3.12Å |
| 296 | T | 94.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | trans | -147 | 153.2 | -179.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | A298 F299 M302 D350 L353 | T296-A298 VanDerWaalsContact C-N 3.34Å; T296-A298 PolarHBondContact OG1-N 2.79Å; T296-F299 HydrophobicContact CG2-CB 4.24Å; T296-M302 HydrophobicContact CG2-CE 4.02Å; T296-M302 HydrophobicContact CG2-SD 3.67Å; T296-D350 WeakPolarHBondContact CB-OD1 3.42Å; T296-D350 PolarHBondContact OG1-OD1 2.93Å; T296-L353 HydrophobicContact CG2-CD2 4.23Å | ||
| 297 | K | 93.9 | Very high | 96.7 | Very high | 211 Ų | 211 | 59.8 Ų | 59.8 | 92% | 0.917 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -22.4 | 172.8 | -63.8 | -178.7 | -179.1 | 177.7 | 0 | 112.4 | F299 | K297-F299 PolarHBondContact O-N 3.07Š|
| 298 | A | 95.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 16.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T296 T300 E301 M302 W346 | T296-A298 VanDerWaalsContact C-N 3.34Å; T296-A298 PolarHBondContact OG1-N 2.79Å; A298-T300 VanDerWaalsContact C-N 3.34Å; A298-T300 PolarHBondContact O-N 3.33Å; A298-E301 VanDerWaalsContact C-OE2 3.25Å; A298-E301 VanDerWaalsContact CA-OE2 3.32Å; A298-E301 WeakPolarHBondContact CA-OE2 3.48Å; A298-E301 PolarHBondContact O-N 3.47Å; A298-M302 HydrophobicContact CB-CE 4.24Å; A298-M302 WeakPolarHBondContact O-CB 3.29Å; A298-M302 VanDerWaalsContact O-CG 3.27Å; A298-M302 WeakPolarHBondContact O-CG 3.31Å; A298-M302 PolarHBondContact O-N 2.98Å; A298-W346 HydrophobicContact CB-CG 4.45Å |
| 299 | F | 97.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 13% | 0.132 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | -172.7 | 174.1 | -97.3 | 0 | 0 | 0 | 112.5 | C289 L292 R293 T296 K297 E301 M302 E303 | C289-F299 HydrophobicContact CB-CE2 4.3Å; C289-F299 HydrophobicContact CB-CZ 4.24Å; C289-F299 VanDerWaalsContact O-CE2 3.29Å; C289-F299 WeakPolarHBondContact O-CE2 3.46Å; L292-F299 HydrophobicContact CB-CD2 3.88Å; L292-F299 HydrophobicContact CB-CE2 4.02Å; R293-F299 HydrophobicContact CB-CE2 4.11Å; R293-F299 HydrophobicContact CB-CZ 4.32Å; T296-F299 HydrophobicContact CG2-CB 4.24Å; K297-F299 PolarHBondContact O-N 3.07Å; F299-E301 VanDerWaalsContact C-N 3.35Å; F299-E301 PolarHBondContact O-N 3.16Å; F299-M302 WeakPolarHBondContact O-CB 3.3Å; F299-M302 PolarHBondContact O-N 3.01Å; F299-E303 WeakPolarHBondContact CE1-OE2 3.31Å; F299-E303 WeakPolarHBondContact O-CB 3.42Å; F299-E303 PolarHBondContact O-N 3.09Å |
| 300 | T | 96.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 60.9 Ų | 60.9 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | -177.5 | -60 | 0 | 0 | 0 | 0 | 111 | A298 E303 A304 | A298-T300 VanDerWaalsContact C-N 3.34Å; A298-T300 PolarHBondContact O-N 3.33Å; T300-E303 PolarHBondContact O-N 2.95Å; T300-A304 WeakPolarHBondContact O-CB 3.32Å; T300-A304 PolarHBondContact O-N 3.43Å |
| 301 | E | 97 | Very high | 96.8 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 176.4 | -62.1 | 73 | -160.7 | 0 | 0 | 111 | A298 F299 A304 N305 D344 | A298-E301 VanDerWaalsContact C-OE2 3.25Å; A298-E301 VanDerWaalsContact CA-OE2 3.32Å; A298-E301 WeakPolarHBondContact CA-OE2 3.48Å; A298-E301 PolarHBondContact O-N 3.47Å; F299-E301 VanDerWaalsContact C-N 3.35Å; F299-E301 PolarHBondContact O-N 3.16Å; E301-A304 PolarHBondContact O-N 3.41Å; E301-N305 WeakPolarHBondContact O-CB 3.43Å; E301-N305 PolarHBondContact O-N 3.37Å; E301-N305 PolarHBondContact O-ND2 3.08Å; E301-D344 HydrophobicContact CB-CB 4.11Å; E301-D344 HydrophobicContact CG-CB 4.21Å |
| 302 | M | 97.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 173.1 | -75 | 177.2 | -178.3 | 0 | 0 | 112.3 | L292 T296 A298 F299 N305 F306 W346 D350 Y354 | L292-M302 HydrophobicContact CD1-CB 4.47Å; L292-M302 HydrophobicContact CD1-SD 3.87Å; L292-M302 HydrophobicContact CD2-SD 4.27Å; T296-M302 HydrophobicContact CG2-CE 4.02Å; T296-M302 HydrophobicContact CG2-SD 3.67Å; A298-M302 HydrophobicContact CB-CE 4.24Å; A298-M302 WeakPolarHBondContact O-CB 3.29Å; A298-M302 VanDerWaalsContact O-CG 3.27Å; A298-M302 WeakPolarHBondContact O-CG 3.31Å; A298-M302 PolarHBondContact O-N 2.98Å; F299-M302 WeakPolarHBondContact O-CB 3.3Å; F299-M302 PolarHBondContact O-N 3.01Å; M302-N305 PolarHBondContact O-N 3.44Å; M302-F306 PolarHBondContact O-N 3.17Å; M302-W346 VanDerWaalsContact CA-CZ2 3.49Å; M302-W346 HydrophobicContact CB-CH2 4.06Å; M302-W346 HydrophobicContact CB-CZ2 3.96Å; M302-W346 HydrophobicContact CE-CD2 4.07Å; M302-W346 HydrophobicContact CE-CE3 3.82Å; M302-W346 HydrophobicContact CE-CH2 4.38Å; M302-W346 HydrophobicContact CE-CZ3 3.97Å; M302-W346 HydrophobicContact CG-CD2 4.36Å; M302-W346 HydrophobicContact CG-CE3 4.35Å; M302-W346 HydrophobicContact CG-CH2 3.32Å; M302-W346 HydrophobicContact CG-CZ2 3.28Å; M302-W346 HydrophobicContact CG-CZ3 3.86Å; M302-D350 HydrophobicContact CE-CB 3.61Å; M302-D350 WeakPolarHBondContact CE-O 3.3Å; M302-Y354 HydrophobicContact CB-CD2 4.04Å; M302-Y354 HydrophobicContact CB-CE2 4.27Å; M302-Y354 HydrophobicContact CG-CD2 3.82Å; M302-Y354 HydrophobicContact CG-CE2 4.47Å; M302-Y354 HydrophobicContact SD-CD2 4.01Å |
| 303 | E | 97.5 | Very high | 96.9 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 180 | 179.4 | 172.4 | -166.4 | 0 | 0 | 112 | K285 F299 T300 | K285-E303 WeakPolarHBondContact CE-O 3.35Å; K285-E303 PolarHBondContact NZ-O 2.86Å; F299-E303 WeakPolarHBondContact CE1-OE2 3.31Å; F299-E303 WeakPolarHBondContact O-CB 3.42Å; F299-E303 PolarHBondContact O-N 3.09Å; T300-E303 PolarHBondContact O-N 2.95Å |
| 304 | A | 97.4 | Very high | 97.1 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.7 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T300 E301 | T300-A304 WeakPolarHBondContact O-CB 3.32Å; T300-A304 PolarHBondContact O-N 3.43Å; E301-A304 PolarHBondContact O-N 3.41Å |
| 305 | N | 97.1 | Very high | 97.2 | Very high | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.1 | -10.8 | -176 | -75 | -64.9 | 0 | 0 | 0 | 115.1 | E301 M302 K307 N308 L309 D344 | E301-N305 WeakPolarHBondContact O-CB 3.43Å; E301-N305 PolarHBondContact O-N 3.37Å; E301-N305 PolarHBondContact O-ND2 3.08Å; M302-N305 PolarHBondContact O-N 3.44Å; N305-K307 VanDerWaalsContact C-N 3.33Å; N305-K307 PolarHBondContact O-N 3.13Å; N305-K307 VanDerWaalsContact O-N 3.13Å; N305-N308 WeakPolarHBondContact O-CA 3.19Å; N305-N308 WeakPolarHBondContact O-CB 3.28Å; N305-N308 PolarHBondContact O-N 3.41Å; N305-L309 HydrophobicContact CB-CD1 3.96Å; N305-L309 HydrophobicContact CB-CG 4.1Å; N305-L309 PolarHBondContact O-N 3.39Å; N305-D344 PolarHBondContact ND2-OD2 2.79Å |
| 306 | F | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -44.2 | -54.7 | -173.4 | 179.4 | -88.7 | 0 | 0 | 0 | 113.3 | L281 H284 K285 V288 M302 N308 L309 S310 Y354 Y358 | L281-F306 HydrophobicContact CD1-CE1 3.85Å; H284-F306 HydrophobicContact CB-CZ 4.04Å; H284-F306 AromaticContact CG-CZ 3.79Å; H284-F306 AromaticContact ND1-CZ 3.77Å; K285-F306 VanDerWaalsContact CA-CE1 3.43Å; K285-F306 VanDerWaalsContact CA-CZ 3.41Å; K285-F306 HydrophobicContact CB-CD1 3.42Å; K285-F306 VanDerWaalsContact CB-CD1 3.42Å; K285-F306 HydrophobicContact CB-CD2 4.48Å; K285-F306 HydrophobicContact CB-CE1 3.42Å; K285-F306 VanDerWaalsContact CB-CE1 3.42Å; K285-F306 HydrophobicContact CB-CE2 4.47Å; K285-F306 HydrophobicContact CB-CG 3.99Å; K285-F306 HydrophobicContact CB-CZ 3.98Å; K285-F306 HydrophobicContact CD-CB 4.21Å; K285-F306 HydrophobicContact CD-CD1 4Å; K285-F306 HydrophobicContact CD-CG 4.25Å; K285-F306 HydrophobicContact CG-CB 4.12Å; K285-F306 HydrophobicContact CG-CD1 3.61Å; K285-F306 HydrophobicContact CG-CD2 4.35Å; K285-F306 HydrophobicContact CG-CE1 4.13Å; K285-F306 HydrophobicContact CG-CG 3.75Å; K285-F306 VanDerWaalsContact N-CZ 3.33Å; V288-F306 HydrophobicContact CB-CD2 4.32Å; V288-F306 HydrophobicContact CB-CE2 3.8Å; V288-F306 HydrophobicContact CG1-CD2 4.17Å; V288-F306 HydrophobicContact CG1-CE2 4Å; V288-F306 HydrophobicContact CG2-CE2 3.85Å; M302-F306 PolarHBondContact O-N 3.17Å; F306-N308 VanDerWaalsContact C-N 3.28Å; F306-N308 PolarHBondContact O-N 2.82Å; F306-L309 PolarHBondContact O-N 3.44Å; F306-S310 WeakPolarHBondContact CE1-OG 3.33Å; F306-S310 WeakPolarHBondContact CZ-OG 3.27Å; F306-S310 VanDerWaalsContact O-CB 3.29Å; F306-S310 WeakPolarHBondContact O-CB 3.44Å; F306-S310 PolarHBondContact O-N 2.94Å; F306-S310 PolarHBondContact O-OG 3.12Å; F306-Y354 HydrophobicContact CD2-CE2 4.34Å; F306-Y354 VanDerWaalsContact CD2-OH 3.29Å; F306-Y354 WeakPolarHBondContact CD2-OH 3.23Å; F306-Y358 AromaticContact CE2-CD2 3.82Å; F306-Y358 HydrophobicContact CE2-CD2 3.82Å; F306-Y358 HydrophobicContact CE2-CE2 4.1Å; F306-Y358 HydrophobicContact CZ-CD2 4.24Å; F306-Y358 HydrophobicContact CZ-CE2 4.11Å |
| 307 | K | 98.1 | Very high | 97.5 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 27% | 0.274 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -31.9 | -177 | -66 | -172.4 | 177.2 | -173.5 | 0 | 112.7 | L281 D282 N305 R311 | L281-K307 HydrophobicContact CD2-CD 4.28Å; L281-K307 HydrophobicContact CD2-CG 4.15Å; L281-K307 HydrophobicContact CG-CG 4.43Å; D282-K307 WeakPolarHBondContact OD1-CE 3.18Å; D282-K307 IonicContact OD1-NZ 2.99Å; D282-K307 PolarHBondContact OD1-NZ 3.47Å; D282-K307 IonicContact OD2-NZ 2.64Å; N305-K307 VanDerWaalsContact C-N 3.33Å; N305-K307 PolarHBondContact O-N 3.13Å; N305-K307 VanDerWaalsContact O-N 3.13Å; K307-R311 WeakPolarHBondContact O-CB 3.46Å; K307-R311 WeakPolarHBondContact O-CG 3.44Å; K307-R311 PolarHBondContact O-N 3.12Å |
| 308 | N | 98 | Very high | 97.7 | Very high | 87 Ų | 87 | 35.3 Ų | 35.3 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.3 | -50.3 | 177.5 | -174.2 | 41.1 | 0 | 0 | 0 | 110.6 | N305 F306 R311 G312 | N305-N308 WeakPolarHBondContact O-CA 3.19Å; N305-N308 WeakPolarHBondContact O-CB 3.28Å; N305-N308 PolarHBondContact O-N 3.41Å; F306-N308 VanDerWaalsContact C-N 3.28Å; F306-N308 PolarHBondContact O-N 2.82Å; N308-R311 PolarHBondContact O-N 3.45Å; N308-G312 PolarHBondContact O-N 3.01Å |
| 309 | L | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -44 | 179 | -64.3 | 174.8 | 0 | 0 | 0 | 111.9 | N305 F306 R311 G312 L313 F337 P340 W346 Y354 | N305-L309 HydrophobicContact CB-CD1 3.96Å; N305-L309 HydrophobicContact CB-CG 4.1Å; N305-L309 PolarHBondContact O-N 3.39Å; F306-L309 PolarHBondContact O-N 3.44Å; L309-R311 VanDerWaalsContact C-N 3.34Å; L309-R311 PolarHBondContact O-N 3.01Å; L309-G312 WeakPolarHBondContact O-CA 3.33Å; L309-G312 PolarHBondContact O-N 2.87Å; L309-G312 VanDerWaalsContact O-N 3.09Å; L309-L313 WeakPolarHBondContact O-CG 3.37Å; L309-L313 PolarHBondContact O-N 3.37Å; L309-F337 HydrophobicContact CB-CD2 4.21Å; L309-F337 HydrophobicContact CB-CE2 4.12Å; L309-F337 HydrophobicContact CD1-CE2 4.27Å; L309-F337 HydrophobicContact CD2-CD2 3.81Å; L309-F337 HydrophobicContact CD2-CE2 4.1Å; L309-F337 HydrophobicContact CD2-CG 4.38Å; L309-F337 HydrophobicContact CG-CD2 4.47Å; L309-F337 HydrophobicContact CG-CE2 4.39Å; L309-P340 HydrophobicContact CD2-CB 3.96Å; L309-P340 HydrophobicContact CD2-CG 4.44Å; L309-W346 HydrophobicContact CD1-CH2 3.51Å; L309-W346 HydrophobicContact CD1-CZ2 4.27Å; L309-W346 HydrophobicContact CD1-CZ3 4.19Å; L309-Y354 HydrophobicContact CD1-CE1 4.07Å |
| 310 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | F306 G312 V314 Y358 | F306-S310 WeakPolarHBondContact CE1-OG 3.33Å; F306-S310 WeakPolarHBondContact CZ-OG 3.27Å; F306-S310 VanDerWaalsContact O-CB 3.29Å; F306-S310 WeakPolarHBondContact O-CB 3.44Å; F306-S310 PolarHBondContact O-N 2.94Å; F306-S310 PolarHBondContact O-OG 3.12Å; S310-G312 VanDerWaalsContact C-N 3.34Å; S310-V314 WeakPolarHBondContact O-CB 3.49Å; S310-V314 WeakPolarHBondContact O-CG2 3.38Å; S310-V314 PolarHBondContact O-N 2.93Å; S310-Y358 WeakPolarHBondContact CA-OH 3.43Å; S310-Y358 WeakPolarHBondContact OG-CE2 3.13Å |
| 311 | R | 98.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 41% | 0.408 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 173.9 | -73.8 | 178.3 | -167.9 | 125.7 | -2.7 | 111.7 | I275 K307 N308 L309 N315 | I275-R311 HydrophobicContact CB-CG 4.11Å; I275-R311 HydrophobicContact CD1-CB 4.48Å; I275-R311 HydrophobicContact CD1-CG 4.18Å; I275-R311 HydrophobicContact CG2-CG 4.23Å; K307-R311 WeakPolarHBondContact O-CB 3.46Å; K307-R311 WeakPolarHBondContact O-CG 3.44Å; K307-R311 PolarHBondContact O-N 3.12Å; N308-R311 PolarHBondContact O-N 3.45Å; L309-R311 VanDerWaalsContact C-N 3.34Å; L309-R311 PolarHBondContact O-N 3.01Å; R311-N315 WeakPolarHBondContact O-CB 3.38Å; R311-N315 PolarHBondContact O-N 2.99Å; R311-N315 PolarHBondContact O-ND2 3.5Å |
| 312 | G | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.4 | -57.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N308 L309 S310 I316 | N308-G312 PolarHBondContact O-N 3.01Å; L309-G312 WeakPolarHBondContact O-CA 3.33Å; L309-G312 PolarHBondContact O-N 2.87Å; L309-G312 VanDerWaalsContact O-N 3.09Å; S310-G312 VanDerWaalsContact C-N 3.34Å; G312-I316 VanDerWaalsContact O-CG1 3.31Å; G312-I316 WeakPolarHBondContact O-CG1 3.47Å; G312-I316 PolarHBondContact O-N 3.43Å; G312-I316 VanDerWaalsContact O-N 3.16Å |
| 313 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -52.2 | -179.1 | -64.4 | 176.7 | 0 | 0 | 0 | 112 | L309 N315 I316 A317 F337 L355 Y358 Y377 M378 I381 I385 | L309-L313 WeakPolarHBondContact O-CG 3.37Å; L309-L313 PolarHBondContact O-N 3.37Å; L313-N315 VanDerWaalsContact C-N 3.35Å; L313-N315 PolarHBondContact O-N 2.83Å; L313-I316 WeakPolarHBondContact O-CB 3.42Å; L313-I316 PolarHBondContact O-N 3.36Å; L313-A317 PolarHBondContact O-N 3.17Å; L313-F337 HydrophobicContact CD1-CD2 3.83Å; L313-F337 HydrophobicContact CD1-CE2 3.78Å; L313-F337 HydrophobicContact CD2-CB 4.18Å; L313-F337 HydrophobicContact CD2-CD2 3.66Å; L313-F337 HydrophobicContact CD2-CE2 4.37Å; L313-F337 HydrophobicContact CD2-CG 4.05Å; L313-F337 HydrophobicContact CG-CD2 3.74Å; L313-F337 HydrophobicContact CG-CE2 4.23Å; L313-L355 HydrophobicContact CD1-CD2 3.93Å; L313-Y358 HydrophobicContact CD1-CD1 3.96Å; L313-Y358 HydrophobicContact CD1-CE1 3.51Å; L313-Y377 PolarHBondContact O-OH 3.24Å; L313-M378 HydrophobicContact CD1-CE 4.22Å; L313-I381 HydrophobicContact CD2-CG2 3.85Å; L313-I385 HydrophobicContact CD2-CD1 3.97Å |
| 314 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -36.8 | -177.3 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | L271 L274 I275 S310 I316 A317 T318 W374 | L271-V314 HydrophobicContact CB-CG1 4.36Å; L271-V314 WeakPolarHBondContact O-CG1 3.28Å; L274-V314 HydrophobicContact CB-CG2 4.49Å; I275-V314 HydrophobicContact CD1-CB 4.02Å; I275-V314 HydrophobicContact CD1-CG1 3.82Å; I275-V314 HydrophobicContact CG1-CB 4.27Å; I275-V314 HydrophobicContact CG1-CG1 3.84Å; I275-V314 HydrophobicContact CG2-CB 3.84Å; I275-V314 HydrophobicContact CG2-CG1 4.19Å; I275-V314 HydrophobicContact CG2-CG2 3.85Å; S310-V314 WeakPolarHBondContact O-CB 3.49Å; S310-V314 WeakPolarHBondContact O-CG2 3.38Å; S310-V314 PolarHBondContact O-N 2.93Å; V314-I316 VanDerWaalsContact C-N 3.31Å; V314-I316 PolarHBondContact O-N 3.48Å; V314-A317 WeakPolarHBondContact O-CB 3.32Å; V314-A317 PolarHBondContact O-N 2.71Å; V314-T318 HydrophobicContact CG1-CG2 4.27Å; V314-T318 VanDerWaalsContact O-CG2 3.31Å; V314-T318 WeakPolarHBondContact O-CG2 3.45Å; V314-T318 PolarHBondContact O-N 2.94Å; V314-W374 HydrophobicContact CG2-CZ3 4.25Å |
| 315 | N | 98.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 31% | 0.305 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67 | -31.9 | 177.3 | -75.2 | -40 | 0 | 0 | 0 | 112.8 | I275 R311 L313 T318 K319 | I275-N315 WeakPolarHBondContact CD1-OD1 3.48Å; R311-N315 WeakPolarHBondContact O-CB 3.38Å; R311-N315 PolarHBondContact O-N 2.99Å; R311-N315 PolarHBondContact O-ND2 3.5Å; L313-N315 VanDerWaalsContact C-N 3.35Å; L313-N315 PolarHBondContact O-N 2.83Å; N315-T318 PolarHBondContact O-OG1 2.96Å; N315-K319 VanDerWaalsContact O-CG 3.31Å; N315-K319 WeakPolarHBondContact O-CG 3.49Å; N315-K319 PolarHBondContact O-N 2.81Å |
| 316 | I | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -55.4 | 170.5 | -68.5 | 168.5 | 0 | 0 | 0 | 108.4 | G312 L313 V314 T318 K319 L320 F329 D332 L333 K336 | G312-I316 VanDerWaalsContact O-CG1 3.31Å; G312-I316 WeakPolarHBondContact O-CG1 3.47Å; G312-I316 PolarHBondContact O-N 3.43Å; G312-I316 VanDerWaalsContact O-N 3.16Å; L313-I316 WeakPolarHBondContact O-CB 3.42Å; L313-I316 PolarHBondContact O-N 3.36Å; V314-I316 VanDerWaalsContact C-N 3.31Å; V314-I316 PolarHBondContact O-N 3.48Å; I316-T318 VanDerWaalsContact C-N 3.33Å; I316-T318 PolarHBondContact O-N 2.69Å; I316-K319 PolarHBondContact O-N 2.72Å; I316-K319 VanDerWaalsContact O-N 3.07Å; I316-L320 HydrophobicContact CG2-CD2 4.26Å; I316-L320 WeakPolarHBondContact O-CG 3.37Å; I316-L320 PolarHBondContact O-N 3.04Å; I316-F329 HydrophobicContact CG2-CD2 3.99Å; I316-F329 HydrophobicContact CG2-CE2 4.08Å; I316-D332 HydrophobicContact CD1-CB 3.87Å; I316-D332 HydrophobicContact CG1-CB 3.81Å; I316-L333 HydrophobicContact CD1-CD2 4.09Å; I316-K336 HydrophobicContact CD1-CB 4.25Å; I316-K336 HydrophobicContact CD1-CG 4.44Å |
| 317 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.1 | -51.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L268 L271 L313 V314 K319 L320 Y377 | L268-A317 HydrophobicContact CB-CB 4.16Å; L268-A317 HydrophobicContact CD1-CB 4.42Å; L268-A317 HydrophobicContact CD2-CB 4.43Å; L271-A317 HydrophobicContact CD1-CB 4.13Å; L313-A317 PolarHBondContact O-N 3.17Å; V314-A317 WeakPolarHBondContact O-CB 3.32Å; V314-A317 PolarHBondContact O-N 2.71Å; A317-K319 PolarHBondContact O-N 2.79Å; A317-K319 VanDerWaalsContact O-N 3.08Å; A317-L320 PolarHBondContact O-N 2.96Å; A317-Y377 HydrophobicContact CB-CD1 4.28Å; A317-Y377 HydrophobicContact CB-CD2 4.08Å; A317-Y377 HydrophobicContact CB-CE1 3.8Å; A317-Y377 HydrophobicContact CB-CE2 3.58Å; A317-Y377 HydrophobicContact CB-CG 4.42Å; A317-Y377 VanDerWaalsContact CB-CZ 3.43Å; A317-Y377 PolarHBondContact N-OH 3.21Å |
| 318 | T | 96.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -17.6 | -174.8 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | K272 V314 N315 I316 | K272-T318 HydrophobicContact CB-CG2 3.73Å; K272-T318 HydrophobicContact CD-CG2 4.25Å; K272-T318 HydrophobicContact CG-CG2 4.12Å; V314-T318 HydrophobicContact CG1-CG2 4.27Å; V314-T318 VanDerWaalsContact O-CG2 3.31Å; V314-T318 WeakPolarHBondContact O-CG2 3.45Å; V314-T318 PolarHBondContact O-N 2.94Å; N315-T318 PolarHBondContact O-OG1 2.96Å; I316-T318 VanDerWaalsContact C-N 3.33Å; I316-T318 PolarHBondContact O-N 2.69Å |
| 319 | K | 96.2 | Very high | 96.6 | Very high | 92 Ų | 92 | 39.3 Ų | 39.3 | 40% | 0.4 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -100.1 | -11.9 | -177.2 | -70.4 | 178.7 | 179.6 | -175.6 | 0 | 113.5 | N315 I316 A317 T321 N322 D325 | N315-K319 VanDerWaalsContact O-CG 3.31Å; N315-K319 WeakPolarHBondContact O-CG 3.49Å; N315-K319 PolarHBondContact O-N 2.81Å; I316-K319 PolarHBondContact O-N 2.72Å; I316-K319 VanDerWaalsContact O-N 3.07Å; A317-K319 PolarHBondContact O-N 2.79Å; A317-K319 VanDerWaalsContact O-N 3.08Å; K319-T321 PolarHBondContact O-N 3.12Å; K319-N322 WeakPolarHBondContact O-CB 3.48Å; K319-N322 PolarHBondContact O-N 2.9Å; K319-D325 HydrophobicContact CB-CB 3.78Å; K319-D325 WeakPolarHBondContact O-CB 3.42Å |
| 320 | L | 96 | Very high | 96.6 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.4 | -174.9 | -65.3 | -179.1 | 0 | 0 | 0 | 114.2 | W244 L265 L268 I316 A317 N322 V326 F329 Y377 | W244-L320 HydrophobicContact CE3-CD1 4.46Å; W244-L320 HydrophobicContact CH2-CD1 3.87Å; W244-L320 HydrophobicContact CZ3-CD1 3.63Å; L265-L320 HydrophobicContact CD2-CB 3.87Å; L265-L320 HydrophobicContact CD2-CD1 4.3Å; L268-L320 HydrophobicContact CD1-CB 4.33Å; L268-L320 HydrophobicContact CD1-CD1 3.81Å; I316-L320 HydrophobicContact CG2-CD2 4.26Å; I316-L320 WeakPolarHBondContact O-CG 3.37Å; I316-L320 PolarHBondContact O-N 3.04Å; A317-L320 PolarHBondContact O-N 2.96Å; L320-N322 PolarHBondContact O-N 3.32Å; L320-V326 WeakPolarHBondContact O-CG2 3.25Å; L320-F329 HydrophobicContact CD2-CD2 3.95Å; L320-Y377 HydrophobicContact CD1-CE2 4.31Å |
| 321 | T | 93.6 | Very high | 96.6 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 28% | 0.282 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.3 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | L265 K269 K319 | L265-T321 HydrophobicContact CB-CG2 4.27Å; L265-T321 VanDerWaalsContact O-CG2 3.22Å; L265-T321 WeakPolarHBondContact O-CG2 3.34Å; K269-T321 HydrophobicContact CD-CG2 4.43Å; K269-T321 WeakPolarHBondContact CE-OG1 3.42Å; K269-T321 PolarHBondContact NZ-OG1 2.77Å; K269-T321 VanDerWaalsContact NZ-OG1 3.12Å; K319-T321 PolarHBondContact O-N 3.12Å |
| 322 | N | 94.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 43% | 0.428 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -92.6 | 128.2 | 179.8 | -57 | -31.9 | 0 | 0 | 0 | 110.3 | K319 L320 K324 D325 V326 | K319-N322 WeakPolarHBondContact O-CB 3.48Å; K319-N322 PolarHBondContact O-N 2.9Å; L320-N322 PolarHBondContact O-N 3.32Å; N322-K324 PolarHBondContact O-N 3.25Å; N322-K324 VanDerWaalsContact O-N 3.11Å; N322-D325 HydrophobicContact CB-CB 4.27Å; N322-D325 WeakPolarHBondContact CB-OD2 3.34Å; N322-D325 PolarHBondContact ND2-OD2 3.28Å; N322-D325 PolarHBondContact O-N 3.45Å; N322-V326 PolarHBondContact O-N 2.84Å |
| 323 | T | 92 | Very high | 96.6 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 63% | 0.626 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -56.5 | -33.6 | 178.8 | -47.6 | 0 | 0 | 0 | 0 | 113.1 | R327 | T323-R327 WeakPolarHBondContact O-CG 3.49Å; T323-R327 PolarHBondContact O-N 2.95Å |
| 324 | K | 94.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 35.3 Ų | 35.3 | 57% | 0.565 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -63.5 | -48.7 | 177 | -175.8 | -172.9 | 172.5 | -170.7 | 0 | 111.2 | N322 V326 R327 D328 | N322-K324 PolarHBondContact O-N 3.25Å; N322-K324 VanDerWaalsContact O-N 3.11Å; K324-V326 VanDerWaalsContact C-N 3.31Å; K324-V326 PolarHBondContact O-N 3.46Å; K324-R327 WeakPolarHBondContact O-CB 3.43Å; K324-R327 PolarHBondContact O-N 2.94Å; K324-R327 VanDerWaalsContact O-N 3.11Å; K324-D328 PolarHBondContact O-N 3.47Å |
| 325 | D | 95.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.7 | -31.3 | -178.3 | -60.1 | -76.3 | 0 | 0 | 0 | 111.2 | K319 N322 D328 F329 | K319-D325 HydrophobicContact CB-CB 3.78Å; K319-D325 WeakPolarHBondContact O-CB 3.42Å; N322-D325 HydrophobicContact CB-CB 4.27Å; N322-D325 WeakPolarHBondContact CB-OD2 3.34Å; N322-D325 PolarHBondContact ND2-OD2 3.28Å; N322-D325 PolarHBondContact O-N 3.45Å; D325-D328 CarbonylContact O-C 3.53Å; D325-D328 PolarHBondContact O-N 2.87Å; D325-F329 PolarHBondContact O-N 3.11Å |
| 326 | V | 95.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 167.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | F218 L260 L320 N322 K324 D328 F329 | F218-V326 WeakPolarHBondContact CD1-O 3.24Å; F218-V326 HydrophobicContact CE1-CG1 3.81Å; F218-V326 WeakPolarHBondContact CE1-O 3.46Å; F218-V326 HydrophobicContact CZ-CG1 3.96Å; L260-V326 HydrophobicContact CD1-CG1 3.61Å; L260-V326 HydrophobicContact CD1-CG2 4.17Å; L320-V326 WeakPolarHBondContact O-CG2 3.25Å; N322-V326 PolarHBondContact O-N 2.84Å; K324-V326 VanDerWaalsContact C-N 3.31Å; K324-V326 PolarHBondContact O-N 3.46Å; V326-D328 VanDerWaalsContact C-N 3.27Å; V326-D328 PolarHBondContact O-N 3.29Å; V326-F329 WeakPolarHBondContact O-CB 3.45Å; V326-F329 PolarHBondContact O-N 3.02Å; V326-F329 VanDerWaalsContact O-N 3.16Å |
| 327 | R | 95.6 | Very high | 96.5 | Very high | 91 Ų | 91 | 39.3 Ų | 39.3 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 179.5 | -68.2 | -174.3 | -58.8 | -153.2 | -0.9 | 112.3 | N216 R217 E219 T323 K324 F329 | N216-R327 WeakPolarHBondContact O-CG 3.13Å; R217-R327 HydrophobicContact CB-CG 4.21Å; R217-R327 WeakPolarHBondContact O-CD 3.29Å; R217-R327 WeakPolarHBondContact O-CG 3.23Å; E219-R327 PolarHBondContact N-O 3.21Å; T323-R327 WeakPolarHBondContact O-CG 3.49Å; T323-R327 PolarHBondContact O-N 2.95Å; K324-R327 WeakPolarHBondContact O-CB 3.43Å; K324-R327 PolarHBondContact O-N 2.94Å; K324-R327 VanDerWaalsContact O-N 3.11Å; R327-F329 VanDerWaalsContact C-N 3.27Å; R327-F329 PolarHBondContact O-N 3.14Å |
| 328 | D | 97.1 | Very high | 96.6 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.5 | -178.1 | -65.2 | -24 | 0 | 0 | 0 | 112.8 | K324 D325 V326 F330 I331 D332 | K324-D328 PolarHBondContact O-N 3.47Å; D325-D328 CarbonylContact O-C 3.53Å; D325-D328 PolarHBondContact O-N 2.87Å; V326-D328 VanDerWaalsContact C-N 3.27Å; V326-D328 PolarHBondContact O-N 3.29Å; D328-F330 PolarHBondContact O-N 2.89Å; D328-I331 WeakPolarHBondContact O-CA 3.47Å; D328-I331 VanDerWaalsContact O-CB 3.26Å; D328-I331 WeakPolarHBondContact O-CB 3.37Å; D328-I331 PolarHBondContact O-N 3.26Å; D328-D332 PolarHBondContact O-N 3.19Å |
| 329 | F | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -48.2 | -50.9 | -174.3 | 173.7 | -109.2 | 0 | 0 | 0 | 114.6 | F218 L240 W244 I316 L320 D325 V326 R327 I331 D332 L333 I381 | F218-F329 HydrophobicContact CD1-CB 4.2Å; F218-F329 HydrophobicContact CE1-CB 3.95Å; F218-F329 HydrophobicContact CE1-CD1 4.39Å; F218-F329 HydrophobicContact CE1-CG 4.48Å; L240-F329 HydrophobicContact CD1-CE1 4.27Å; L240-F329 HydrophobicContact CD2-CE1 4.25Å; L240-F329 HydrophobicContact CD2-CZ 4.43Å; W244-F329 AromaticContact CH2-CE2 3.72Å; W244-F329 HydrophobicContact CH2-CE2 3.72Å; W244-F329 AromaticContact CH2-CZ 3.77Å; W244-F329 HydrophobicContact CH2-CZ 3.77Å; W244-F329 AromaticContact CZ3-CE2 3.88Å; W244-F329 HydrophobicContact CZ3-CE2 3.88Å; W244-F329 AromaticContact CZ3-CZ 3.97Å; W244-F329 HydrophobicContact CZ3-CZ 3.97Å; I316-F329 HydrophobicContact CG2-CD2 3.99Å; I316-F329 HydrophobicContact CG2-CE2 4.08Å; L320-F329 HydrophobicContact CD2-CD2 3.95Å; D325-F329 PolarHBondContact O-N 3.11Å; V326-F329 WeakPolarHBondContact O-CB 3.45Å; V326-F329 PolarHBondContact O-N 3.02Å; V326-F329 VanDerWaalsContact O-N 3.16Å; R327-F329 VanDerWaalsContact C-N 3.27Å; R327-F329 PolarHBondContact O-N 3.14Å; F329-I331 VanDerWaalsContact C-N 3.32Å; F329-I331 PolarHBondContact O-N 2.95Å; F329-D332 PolarHBondContact O-N 3.34Å; F329-L333 HydrophobicContact CD1-CD1 4.27Å; F329-L333 HydrophobicContact CE1-CD1 3.62Å; F329-L333 HydrophobicContact CE1-CG 4.37Å; F329-L333 HydrophobicContact CE2-CD1 4.25Å; F329-L333 HydrophobicContact CE2-CD2 4.4Å; F329-L333 HydrophobicContact CE2-CG 4.24Å; F329-L333 HydrophobicContact CZ-CD1 3.63Å; F329-L333 HydrophobicContact CZ-CD2 4.42Å; F329-L333 HydrophobicContact CZ-CG 4.12Å; F329-L333 WeakPolarHBondContact O-CG 3.45Å; F329-L333 PolarHBondContact O-N 3.43Å; F329-I381 HydrophobicContact CE2-CD1 3.75Å; F329-I381 HydrophobicContact CZ-CD1 3.86Å |
| 330 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -32 | -179.7 | -66.8 | -70.6 | 0 | 0 | 0 | 112.7 | F213 F218 L225 F233 C236 L240 D328 L333 V334 M388 | F213-F330 HydrophobicContact CE1-CD2 4.18Å; F213-F330 AromaticContact CE1-CE2 3.61Å; F213-F330 HydrophobicContact CE1-CE2 3.61Å; F213-F330 HydrophobicContact CE1-CZ 4.31Å; F213-F330 HydrophobicContact CE2-CE2 4.16Å; F213-F330 HydrophobicContact CE2-CZ 4.26Å; F213-F330 HydrophobicContact CZ-CD2 4.19Å; F213-F330 AromaticContact CZ-CE2 3.25Å; F213-F330 HydrophobicContact CZ-CE2 3.25Å; F213-F330 AromaticContact CZ-CZ 3.53Å; F213-F330 HydrophobicContact CZ-CZ 3.53Å; F218-F330 HydrophobicContact CB-CD2 4.18Å; F218-F330 HydrophobicContact CB-CE2 4.14Å; F218-F330 AromaticContact CD1-CD2 3.96Å; F218-F330 HydrophobicContact CD1-CD2 3.96Å; F218-F330 AromaticContact CD1-CE2 3.75Å; F218-F330 HydrophobicContact CD1-CE2 3.75Å; F218-F330 HydrophobicContact CD2-CE2 4.4Å; F218-F330 HydrophobicContact CE1-CE2 4.24Å; F218-F330 HydrophobicContact CG-CD2 4.22Å; F218-F330 AromaticContact CG-CE2 3.85Å; F218-F330 HydrophobicContact CG-CE2 3.85Å; L225-F330 HydrophobicContact CD1-CB 4.17Å; L225-F330 HydrophobicContact CD2-CB 4.3Å; F233-F330 HydrophobicContact CD1-CD1 4.28Å; F233-F330 HydrophobicContact CD1-CD2 4.27Å; F233-F330 HydrophobicContact CD1-CE1 4.31Å; F233-F330 HydrophobicContact CD1-CE2 4.3Å; F233-F330 HydrophobicContact CD1-CG 4.27Å; F233-F330 HydrophobicContact CD1-CZ 4.32Å; F233-F330 HydrophobicContact CE1-CB 4.18Å; F233-F330 HydrophobicContact CE1-CD1 4.13Å; F233-F330 HydrophobicContact CE1-CD2 4.11Å; F233-F330 AromaticContact CE1-CG 3.86Å; F233-F330 HydrophobicContact CE1-CG 3.86Å; C236-F330 HydrophobicContact CB-CE1 3.54Å; C236-F330 HydrophobicContact CB-CZ 3.86Å; L240-F330 HydrophobicContact CD1-CZ 3.93Å; D328-F330 PolarHBondContact O-N 2.89Å; F330-L333 HydrophobicContact CD1-CD1 4.48Å; F330-V334 WeakPolarHBondContact O-CG2 3.19Å; F330-V334 PolarHBondContact O-N 3.31Å; F330-V334 VanDerWaalsContact O-N 3.17Å; F330-M388 HydrophobicContact CB-CE 4.17Å; F330-M388 HydrophobicContact CD1-CE 3.89Å; F330-M388 HydrophobicContact CD1-SD 3.69Å; F330-M388 HydrophobicContact CE1-SD 4.22Å |
| 331 | I | 98 | Very high | 96.7 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -46.8 | 172.9 | -69.9 | 162.8 | 0 | 0 | 0 | 109.4 | E219 K222 K224 L225 D328 F329 L333 V334 E335 | E219-I331 HydrophobicContact CB-CD1 3.92Å; E219-I331 HydrophobicContact CG-CD1 3.45Å; E219-I331 VanDerWaalsContact CG-CD1 3.45Å; K222-I331 HydrophobicContact CB-CD1 4.35Å; K222-I331 HydrophobicContact CB-CG1 4.48Å; K222-I331 HydrophobicContact CG-CD1 3.54Å; K222-I331 HydrophobicContact CG-CG1 4.17Å; K224-I331 HydrophobicContact CD-CG2 3.95Å; L225-I331 HydrophobicContact CD1-CG1 3.88Å; L225-I331 HydrophobicContact CG-CG1 4.4Å; D328-I331 WeakPolarHBondContact O-CA 3.47Å; D328-I331 VanDerWaalsContact O-CB 3.26Å; D328-I331 WeakPolarHBondContact O-CB 3.37Å; D328-I331 PolarHBondContact O-N 3.26Å; F329-I331 VanDerWaalsContact C-N 3.32Å; F329-I331 PolarHBondContact O-N 2.95Å; I331-L333 PolarHBondContact O-N 2.79Å; I331-V334 PolarHBondContact O-N 3.48Å; I331-V334 VanDerWaalsContact O-N 3.13Å; I331-E335 HydrophobicContact CG2-CG 4.17Å; I331-E335 WeakPolarHBondContact O-CB 3.37Å; I331-E335 WeakPolarHBondContact O-CG 3.18Å; I331-E335 PolarHBondContact O-N 3.32Å |
| 332 | D | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.7 | -39.3 | -178.9 | -75.5 | -32 | 0 | 0 | 0 | 112 | I316 D328 F329 V334 E335 K336 | I316-D332 HydrophobicContact CD1-CB 3.87Å; I316-D332 HydrophobicContact CG1-CB 3.81Å; D328-D332 PolarHBondContact O-N 3.19Å; F329-D332 PolarHBondContact O-N 3.34Å; D332-V334 VanDerWaalsContact C-N 3.25Å; D332-V334 PolarHBondContact O-N 2.99Å; D332-E335 PolarHBondContact O-N 2.73Å; D332-K336 HydrophobicContact CB-CG 4.47Å; D332-K336 VanDerWaalsContact O-CB 3.23Å; D332-K336 WeakPolarHBondContact O-CB 3.44Å; D332-K336 VanDerWaalsContact O-CG 3.27Å; D332-K336 WeakPolarHBondContact O-CG 3.3Å; D332-K336 PolarHBondContact O-N 2.99Å |
| 333 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57 | -43.1 | 171.5 | -73.7 | -177.5 | 0 | 0 | 0 | 111.6 | I316 F329 F330 I331 F337 I338 I381 C384 I385 M388 | I316-L333 HydrophobicContact CD1-CD2 4.09Å; F329-L333 HydrophobicContact CD1-CD1 4.27Å; F329-L333 HydrophobicContact CE1-CD1 3.62Å; F329-L333 HydrophobicContact CE1-CG 4.37Å; F329-L333 HydrophobicContact CE2-CD1 4.25Å; F329-L333 HydrophobicContact CE2-CD2 4.4Å; F329-L333 HydrophobicContact CE2-CG 4.24Å; F329-L333 HydrophobicContact CZ-CD1 3.63Å; F329-L333 HydrophobicContact CZ-CD2 4.42Å; F329-L333 HydrophobicContact CZ-CG 4.12Å; F329-L333 WeakPolarHBondContact O-CG 3.45Å; F329-L333 PolarHBondContact O-N 3.43Å; F330-L333 HydrophobicContact CD1-CD1 4.48Å; I331-L333 PolarHBondContact O-N 2.79Å; L333-F337 PolarHBondContact O-N 3.07Å; L333-I338 PolarHBondContact O-N 2.75Å; L333-I338 VanDerWaalsContact O-N 3.12Å; L333-I381 HydrophobicContact CD2-CD1 3.79Å; L333-I381 HydrophobicContact CD2-CG2 4.42Å; L333-C384 HydrophobicContact CD1-CB 3.96Å; L333-I385 HydrophobicContact CD2-CD1 4.23Å; L333-I385 HydrophobicContact CD2-CG1 4.15Å; L333-M388 HydrophobicContact CB-CE 4.42Å; L333-M388 HydrophobicContact CD1-SD 4.05Å |
| 334 | V | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -67.2 | -51 | 179 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | K224 L225 Y227 F330 I331 D332 I338 E339 M388 | K224-V334 HydrophobicContact CB-CG1 4.33Å; K224-V334 HydrophobicContact CD-CG1 4.35Å; L225-V334 HydrophobicContact CD2-CB 4.41Å; L225-V334 HydrophobicContact CD2-CG2 3.69Å; Y227-V334 WeakPolarHBondContact OH-CG2 3.32Å; F330-V334 WeakPolarHBondContact O-CG2 3.19Å; F330-V334 PolarHBondContact O-N 3.31Å; F330-V334 VanDerWaalsContact O-N 3.17Å; I331-V334 PolarHBondContact O-N 3.48Å; I331-V334 VanDerWaalsContact O-N 3.13Å; D332-V334 VanDerWaalsContact C-N 3.25Å; D332-V334 PolarHBondContact O-N 2.99Å; V334-I338 HydrophobicContact CG2-CD1 4Å; V334-I338 PolarHBondContact O-N 3.46Å; V334-E339 HydrophobicContact CG1-CG 3.77Å; V334-E339 WeakPolarHBondContact O-CB 3.44Å; V334-E339 PolarHBondContact O-N 3.23Å; V334-M388 HydrophobicContact CG2-CE 3.66Å |
| 335 | E | 97.5 | Very high | 97.1 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -69.4 | -42.5 | -175.5 | -75.6 | -171.5 | 178.3 | 0 | 0 | 114.3 | K224 I331 D332 P340 | K224-E335 HydrophobicContact CD-CG 4.02Å; K224-E335 WeakPolarHBondContact CE-OE1 3.33Å; K224-E335 IonicContact NZ-OE1 2.75Å; K224-E335 PolarHBondContact NZ-OE1 3.11Å; I331-E335 HydrophobicContact CG2-CG 4.17Å; I331-E335 WeakPolarHBondContact O-CB 3.37Å; I331-E335 WeakPolarHBondContact O-CG 3.18Å; I331-E335 PolarHBondContact O-N 3.32Å; D332-E335 PolarHBondContact O-N 2.73Å; E335-P340 WeakPolarHBondContact O-CD 3.48Å |
| 336 | K | 97.9 | Very high | 97.2 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -90.6 | -15.5 | -169 | -52.2 | -49.1 | -179.1 | -134.1 | 0 | 112.3 | I316 D332 | I316-K336 HydrophobicContact CD1-CB 4.25Å; I316-K336 HydrophobicContact CD1-CG 4.44Å; D332-K336 HydrophobicContact CB-CG 4.47Å; D332-K336 VanDerWaalsContact O-CB 3.23Å; D332-K336 WeakPolarHBondContact O-CB 3.44Å; D332-K336 VanDerWaalsContact O-CG 3.27Å; D332-K336 WeakPolarHBondContact O-CG 3.3Å; D332-K336 PolarHBondContact O-N 2.99Å |
| 337 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -133.6 | -58 | -177.8 | -165.3 | -86.2 | 0 | 0 | 0 | 113.9 | L309 L313 L333 P340 C341 V351 Y354 L355 I385 | L309-F337 HydrophobicContact CB-CD2 4.21Å; L309-F337 HydrophobicContact CB-CE2 4.12Å; L309-F337 HydrophobicContact CD1-CE2 4.27Å; L309-F337 HydrophobicContact CD2-CD2 3.81Å; L309-F337 HydrophobicContact CD2-CE2 4.1Å; L309-F337 HydrophobicContact CD2-CG 4.38Å; L309-F337 HydrophobicContact CG-CD2 4.47Å; L309-F337 HydrophobicContact CG-CE2 4.39Å; L313-F337 HydrophobicContact CD1-CD2 3.83Å; L313-F337 HydrophobicContact CD1-CE2 3.78Å; L313-F337 HydrophobicContact CD2-CB 4.18Å; L313-F337 HydrophobicContact CD2-CD2 3.66Å; L313-F337 HydrophobicContact CD2-CE2 4.37Å; L313-F337 HydrophobicContact CD2-CG 4.05Å; L313-F337 HydrophobicContact CG-CD2 3.74Å; L313-F337 HydrophobicContact CG-CE2 4.23Å; L333-F337 PolarHBondContact O-N 3.07Å; F337-P340 WeakPolarHBondContact O-CD 3.44Å; F337-C341 PolarHBondContact O-N 3.49Å; F337-C341 PolarHBondContact O-SG 3.41Å; F337-V351 HydrophobicContact CE1-CG1 4.04Å; F337-Y354 HydrophobicContact CE2-CD1 4.33Å; F337-Y354 HydrophobicContact CE2-CE1 4.1Å; F337-Y354 HydrophobicContact CZ-CD1 4.05Å; F337-Y354 HydrophobicContact CZ-CE1 4.3Å; F337-L355 HydrophobicContact CE1-CD1 3.88Å; F337-L355 HydrophobicContact CE1-CD2 4.33Å; F337-L355 HydrophobicContact CE1-CG 4.12Å; F337-L355 HydrophobicContact CE2-CD2 3.89Å; F337-L355 HydrophobicContact CE2-CG 4.41Å; F337-L355 HydrophobicContact CZ-CD1 3.93Å; F337-L355 HydrophobicContact CZ-CD2 3.62Å; F337-L355 HydrophobicContact CZ-CG 3.64Å; F337-I385 HydrophobicContact CB-CD1 4.38Å; F337-I385 HydrophobicContact CD1-CD1 3.7Å; F337-I385 HydrophobicContact CD1-CG1 4.35Å; F337-I385 HydrophobicContact CD1-CG2 3.87Å; F337-I385 HydrophobicContact CE1-CD1 4.14Å; F337-I385 HydrophobicContact CE1-CG2 3.89Å; F337-I385 HydrophobicContact CG-CD1 3.95Å |
| 338 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -67.7 | -47.8 | -171.2 | -63 | 170.5 | 0 | 0 | 0 | 112.2 | L333 V334 C341 R342 I385 M388 Y389 | L333-I338 PolarHBondContact O-N 2.75Å; L333-I338 VanDerWaalsContact O-N 3.12Å; V334-I338 HydrophobicContact CG2-CD1 4Å; V334-I338 PolarHBondContact O-N 3.46Å; I338-C341 PolarHBondContact O-N 3.31Å; I338-R342 HydrophobicContact CG2-CG 4.3Å; I338-R342 WeakPolarHBondContact O-CG 3.3Å; I338-R342 PolarHBondContact O-N 3.41Å; I338-I385 HydrophobicContact CG1-CG2 4.23Å; I338-M388 HydrophobicContact CD1-CB 3.75Å; I338-M388 HydrophobicContact CD1-CE 4.3Å; I338-Y389 HydrophobicContact CB-CD2 4.31Å; I338-Y389 HydrophobicContact CG1-CD2 4.23Å; I338-Y389 HydrophobicContact CG2-CD2 3.71Å; I338-Y389 HydrophobicContact CG2-CE2 3.97Å |
| 339 | E | 97 | Very high | 97.3 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -45.6 | 179.1 | -79.6 | 174.6 | -172.9 | 0 | 0 | 112 | K224 V334 C341 R342 S343 | K224-E339 IonicContact NZ-OE1 3.34Å; K224-E339 PolarHBondContact NZ-OE1 3.31Å; K224-E339 VanDerWaalsContact NZ-OE1 3.11Å; K224-E339 IonicContact NZ-OE2 2.94Å; V334-E339 HydrophobicContact CG1-CG 3.77Å; V334-E339 WeakPolarHBondContact O-CB 3.44Å; V334-E339 PolarHBondContact O-N 3.23Å; E339-C341 PolarHBondContact O-N 2.99Å; E339-R342 PolarHBondContact O-N 2.87Å; E339-S343 WeakPolarHBondContact O-CB 3.32Å; E339-S343 PolarHBondContact O-N 2.89Å; E339-S343 PolarHBondContact O-OG 3.4Å |
| 340 | P | 97.4 | Very high | 97.3 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 16% | 0.156 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.1 | -48.6 | 170.4 | -29 | 33.8 | 0 | 0 | 0 | 113.7 | L309 E335 F337 R342 S343 D344 | L309-P340 HydrophobicContact CD2-CB 3.96Å; L309-P340 HydrophobicContact CD2-CG 4.44Å; E335-P340 WeakPolarHBondContact O-CD 3.48Å; F337-P340 WeakPolarHBondContact O-CD 3.44Å; P340-R342 PolarHBondContact O-N 3.27Å; P340-S343 WeakPolarHBondContact O-CB 3.34Å; P340-S343 PolarHBondContact O-N 2.68Å; P340-D344 PolarHBondContact O-N 3.23Å |
| 341 | C | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 179.8 | -63.3 | 0 | 0 | 0 | 0 | 112 | F337 I338 E339 D344 R345 W346 V351 Y389 | F337-C341 PolarHBondContact O-N 3.49Å; F337-C341 PolarHBondContact O-SG 3.41Å; I338-C341 PolarHBondContact O-N 3.31Å; E339-C341 PolarHBondContact O-N 2.99Å; C341-D344 CarbonylContact O-C 3.08Å; C341-D344 PolarHBondContact O-N 2.99Å; C341-R345 PolarHBondContact O-N 2.76Å; C341-R345 VanDerWaalsContact O-N 3.17Å; C341-W346 HydrophobicContact CB-CB 4.19Å; C341-W346 HydrophobicContact CB-CD2 4.1Å; C341-W346 HydrophobicContact CB-CE3 4.03Å; C341-W346 HydrophobicContact CB-CG 4.23Å; C341-W346 WeakPolarHBondContact O-CB 3.29Å; C341-W346 PolarHBondContact O-N 3.42Å; C341-V351 HydrophobicContact CB-CG2 4.15Å; C341-Y389 HydrophobicContact CB-CE2 3.83Å |
| 342 | R | 96.2 | Very high | 97.3 | Very high | 73 Ų | 73 | 47.7 Ų | 47.7 | 28% | 0.275 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 175.8 | -76.5 | -179.8 | 171.1 | 163.2 | -1 | 112.5 | Y227 I338 E339 P340 D344 R345 Y389 H390 | Y227-R342 VanDerWaalsContact CE1-NH1 3.33Å; Y227-R342 VanDerWaalsContact CE2-NH2 3.26Å; Y227-R342 VanDerWaalsContact CZ-NH1 3.31Å; I338-R342 HydrophobicContact CG2-CG 4.3Å; I338-R342 WeakPolarHBondContact O-CG 3.3Å; I338-R342 PolarHBondContact O-N 3.41Å; E339-R342 PolarHBondContact O-N 2.87Å; P340-R342 PolarHBondContact O-N 3.27Å; R342-D344 PolarHBondContact O-N 3.01Å; R342-R345 WeakPolarHBondContact O-CA 3.43Å; R342-R345 PolarHBondContact O-N 2.87Å; R342-Y389 HydrophobicContact CG-CE2 3.77Å; R342-Y389 PolarHBondContact N-OH 3.44Å; R342-H390 PolarHBondContact NE-O 3.03Å; R342-H390 PolarHBondContact NH2-O 3.24Å |
| 343 | S | 95.7 | Very high | 97.3 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -36.3 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | E339 P340 R345 | E339-S343 WeakPolarHBondContact O-CB 3.32Å; E339-S343 PolarHBondContact O-N 2.89Å; E339-S343 PolarHBondContact O-OG 3.4Å; P340-S343 WeakPolarHBondContact O-CB 3.34Å; P340-S343 PolarHBondContact O-N 2.68Å; S343-R345 VanDerWaalsContact C-N 3.29Å |
| 344 | D | 95.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 9.3 | 174.7 | -64.9 | -30.7 | 0 | 0 | 0 | 113.5 | E301 N305 P340 C341 R342 W346 | E301-D344 HydrophobicContact CB-CB 4.11Å; E301-D344 HydrophobicContact CG-CB 4.21Å; N305-D344 PolarHBondContact ND2-OD2 2.79Å; P340-D344 PolarHBondContact O-N 3.23Å; C341-D344 CarbonylContact O-C 3.08Å; C341-D344 PolarHBondContact O-N 2.99Å; R342-D344 PolarHBondContact O-N 3.01Å; D344-W346 VanDerWaalsContact C-N 3.31Å; D344-W346 PolarHBondContact O-N 2.94Å |
| 345 | R | 95.3 | Very high | 97.3 | Very high | 221 Ų | 221 | 48.8 Ų | 48.8 | 83% | 0.834 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 36.2 | 175.3 | -51.3 | 178.6 | -177.7 | -174.5 | -0.6 | 114.1 | C341 R342 S343 | C341-R345 PolarHBondContact O-N 2.76Å; C341-R345 VanDerWaalsContact O-N 3.17Å; R342-R345 WeakPolarHBondContact O-CA 3.43Å; R342-R345 PolarHBondContact O-N 2.87Å; S343-R345 VanDerWaalsContact C-N 3.29Å |
| 346 | W | 97.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | trans | -66.8 | 137.6 | 174.2 | -67 | 19.4 | 0 | 0 | 0 | 109.7 | A298 M302 L309 C341 D344 D350 V351 Y354 Y389 | A298-W346 HydrophobicContact CB-CG 4.45Å; M302-W346 VanDerWaalsContact CA-CZ2 3.49Å; M302-W346 HydrophobicContact CB-CH2 4.06Å; M302-W346 HydrophobicContact CB-CZ2 3.96Å; M302-W346 HydrophobicContact CE-CD2 4.07Å; M302-W346 HydrophobicContact CE-CE3 3.82Å; M302-W346 HydrophobicContact CE-CH2 4.38Å; M302-W346 HydrophobicContact CE-CZ3 3.97Å; M302-W346 HydrophobicContact CG-CD2 4.36Å; M302-W346 HydrophobicContact CG-CE3 4.35Å; M302-W346 HydrophobicContact CG-CH2 3.32Å; M302-W346 HydrophobicContact CG-CZ2 3.28Å; M302-W346 HydrophobicContact CG-CZ3 3.86Å; L309-W346 HydrophobicContact CD1-CH2 3.51Å; L309-W346 HydrophobicContact CD1-CZ2 4.27Å; L309-W346 HydrophobicContact CD1-CZ3 4.19Å; C341-W346 HydrophobicContact CB-CB 4.19Å; C341-W346 HydrophobicContact CB-CD2 4.1Å; C341-W346 HydrophobicContact CB-CE3 4.03Å; C341-W346 HydrophobicContact CB-CG 4.23Å; C341-W346 WeakPolarHBondContact O-CB 3.29Å; C341-W346 PolarHBondContact O-N 3.42Å; D344-W346 VanDerWaalsContact C-N 3.31Å; D344-W346 PolarHBondContact O-N 2.94Å; W346-D350 HydrophobicContact CB-CB 4.01Å; W346-D350 HydrophobicContact CG-CB 4.41Å; W346-V351 HydrophobicContact CB-CG2 4.17Å; W346-V351 HydrophobicContact CE3-CG2 4.12Å; W346-Y354 HydrophobicContact CH2-CD1 4.5Å; W346-Y354 AromaticContact CH2-CD2 3.89Å; W346-Y354 HydrophobicContact CH2-CD2 3.89Å; W346-Y354 HydrophobicContact CH2-CE2 4.2Å; W346-Y354 HydrophobicContact CH2-CG 4.05Å; W346-Y354 HydrophobicContact CZ3-CD1 4.11Å; W346-Y354 AromaticContact CZ3-CD2 3.99Å; W346-Y354 HydrophobicContact CZ3-CD2 3.99Å; W346-Y354 AromaticContact CZ3-CG 3.69Å; W346-Y354 HydrophobicContact CZ3-CG 3.69Å; W346-Y389 WeakPolarHBondContact O-CE1 3.34Å; W346-Y389 PolarHBondContact O-OH 2.78Å | ||
| 347 | T | 96.9 | Very high | 97.3 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | trans | -78.1 | 163.3 | 170.8 | 66.2 | 0 | 0 | 0 | 0 | 110.7 | A349 D350 V351 | T347-A349 PolarHBondContact O-N 2.97Å; T347-A349 VanDerWaalsContact O-N 3.14Å; T347-A349 PolarHBondContact OG1-N 3.14Å; T347-D350 WeakPolarHBondContact CB-OD2 3.41Å; T347-D350 PolarHBondContact N-OD2 3.25Å; T347-D350 WeakPolarHBondContact O-CB 2.95Å; T347-D350 PolarHBondContact O-N 3.01Å; T347-D350 VanDerWaalsContact OG1-CG 3.22Å; T347-D350 PolarHBondContact OG1-N 3.44Å; T347-D350 PolarHBondContact OG1-OD2 3.33Å; T347-V351 PolarHBondContact O-N 3.47Å | ||
| 348 | S | 96.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -52.1 | -32.8 | 169 | -72.2 | 0 | 0 | 0 | 0 | 113.4 | K352 Y389 D391 | S348-K352 WeakPolarHBondContact O-CB 3.49Å; S348-K352 VanDerWaalsContact O-CG 3.28Å; S348-K352 WeakPolarHBondContact O-CG 3.44Å; S348-K352 PolarHBondContact O-N 2.92Å; S348-K352 VanDerWaalsContact O-N 3.13Å; S348-Y389 PolarHBondContact OG-O 2.91Å; S348-D391 WeakPolarHBondContact CB-OD1 3.34Å; S348-D391 PolarHBondContact N-OD1 3.24Å; S348-D391 PolarHBondContact OG-OD1 2.97Å; S348-D391 PolarHBondContact OG-OD2 3.32Å |
| 349 | A | 96.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.3 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T347 K352 L353 | T347-A349 PolarHBondContact O-N 2.97Å; T347-A349 VanDerWaalsContact O-N 3.14Å; T347-A349 PolarHBondContact OG1-N 3.14Å; A349-K352 PolarHBondContact O-N 3.38Å; A349-L353 WeakPolarHBondContact O-CB 3.38Å; A349-L353 PolarHBondContact O-N 2.89Å |
| 350 | D | 97.8 | Very high | 97.2 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 176.7 | -65.7 | -48.5 | 0 | 0 | 0 | 111.4 | T296 M302 W346 T347 K352 L353 Y354 | T296-D350 WeakPolarHBondContact CB-OD1 3.42Å; T296-D350 PolarHBondContact OG1-OD1 2.93Å; M302-D350 HydrophobicContact CE-CB 3.61Å; M302-D350 WeakPolarHBondContact CE-O 3.3Å; W346-D350 HydrophobicContact CB-CB 4.01Å; W346-D350 HydrophobicContact CG-CB 4.41Å; T347-D350 WeakPolarHBondContact CB-OD2 3.41Å; T347-D350 PolarHBondContact N-OD2 3.25Å; T347-D350 WeakPolarHBondContact O-CB 2.95Å; T347-D350 PolarHBondContact O-N 3.01Å; T347-D350 VanDerWaalsContact OG1-CG 3.22Å; T347-D350 PolarHBondContact OG1-N 3.44Å; T347-D350 PolarHBondContact OG1-OD2 3.33Å; D350-K352 PolarHBondContact O-N 3.25Å; D350-L353 PolarHBondContact O-N 3.1Å; D350-Y354 WeakPolarHBondContact O-CB 3.38Å; D350-Y354 PolarHBondContact O-N 2.56Å |
| 351 | V | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 176 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F337 C341 W346 T347 Y354 L355 I385 F386 Y389 | F337-V351 HydrophobicContact CE1-CG1 4.04Å; C341-V351 HydrophobicContact CB-CG2 4.15Å; W346-V351 HydrophobicContact CB-CG2 4.17Å; W346-V351 HydrophobicContact CE3-CG2 4.12Å; T347-V351 PolarHBondContact O-N 3.47Å; V351-Y354 PolarHBondContact O-N 3.39Å; V351-L355 HydrophobicContact CG1-CD1 3.96Å; V351-L355 WeakPolarHBondContact O-CB 3.37Å; V351-L355 PolarHBondContact O-N 3.46Å; V351-I385 HydrophobicContact CG1-CG2 3.83Å; V351-F386 HydrophobicContact CG1-CD1 4.26Å; V351-F386 HydrophobicContact CG1-CE1 4.23Å; V351-Y389 HydrophobicContact CG2-CD1 4.26Å; V351-Y389 HydrophobicContact CG2-CD2 3.93Å; V351-Y389 HydrophobicContact CG2-CE1 3.99Å; V351-Y389 HydrophobicContact CG2-CE2 3.67Å; V351-Y389 HydrophobicContact CG2-CG 4.22Å |
| 352 | K | 97.6 | Very high | 97.1 | Very high | 105 Ų | 105 | 46 Ų | 46 | 46% | 0.457 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.7 | -76.6 | 172.8 | -177.8 | 177 | 0 | 112.3 | S348 A349 D350 T356 F386 | S348-K352 WeakPolarHBondContact O-CB 3.49Å; S348-K352 VanDerWaalsContact O-CG 3.28Å; S348-K352 WeakPolarHBondContact O-CG 3.44Å; S348-K352 PolarHBondContact O-N 2.92Å; S348-K352 VanDerWaalsContact O-N 3.13Å; A349-K352 PolarHBondContact O-N 3.38Å; D350-K352 PolarHBondContact O-N 3.25Å; K352-T356 VanDerWaalsContact O-CB 3.3Å; K352-T356 WeakPolarHBondContact O-CB 3.48Å; K352-T356 PolarHBondContact O-N 3.01Å; K352-T356 PolarHBondContact O-OG1 3.21Å; K352-F386 VanDerWaalsContact CA-CE1 3.45Å; K352-F386 HydrophobicContact CB-CE1 4.05Å; K352-F386 HydrophobicContact CB-CZ 4.11Å; K352-F386 HydrophobicContact CG-CD1 3.65Å; K352-F386 HydrophobicContact CG-CD2 4.17Å; K352-F386 HydrophobicContact CG-CE1 3.54Å; K352-F386 HydrophobicContact CG-CE2 4.05Å; K352-F386 HydrophobicContact CG-CG 3.98Å; K352-F386 HydrophobicContact CG-CZ 3.75Å |
| 353 | L | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 179.7 | -176.1 | 67.7 | 0 | 0 | 0 | 111.4 | L292 K295 T296 A349 D350 T356 H357 | L292-L353 HydrophobicContact CD2-CD2 3.94Å; L292-L353 HydrophobicContact CD2-CG 3.7Å; K295-L353 HydrophobicContact CB-CD2 3.9Å; T296-L353 HydrophobicContact CG2-CD2 4.23Å; A349-L353 WeakPolarHBondContact O-CB 3.38Å; A349-L353 PolarHBondContact O-N 2.89Å; D350-L353 PolarHBondContact O-N 3.1Å; L353-T356 PolarHBondContact O-N 3.26Å; L353-H357 PolarHBondContact O-CD2 3.42Å; L353-H357 PolarHBondContact O-N 3.47Å; L353-H357 VanDerWaalsContact O-N 3.13Å |
| 354 | Y | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -53.9 | 178.3 | 179.6 | -89 | 0 | 0 | 0 | 111.3 | V288 L292 M302 F306 L309 F337 W346 D350 V351 T356 H357 Y358 | V288-Y354 HydrophobicContact CG1-CE2 4.36Å; L292-Y354 HydrophobicContact CD1-CD2 3.81Å; L292-Y354 HydrophobicContact CD1-CE2 4.4Å; M302-Y354 HydrophobicContact CB-CD2 4.04Å; M302-Y354 HydrophobicContact CB-CE2 4.27Å; M302-Y354 HydrophobicContact CG-CD2 3.82Å; M302-Y354 HydrophobicContact CG-CE2 4.47Å; M302-Y354 HydrophobicContact SD-CD2 4.01Å; F306-Y354 HydrophobicContact CD2-CE2 4.34Å; F306-Y354 VanDerWaalsContact CD2-OH 3.29Å; F306-Y354 WeakPolarHBondContact CD2-OH 3.23Å; L309-Y354 HydrophobicContact CD1-CE1 4.07Å; F337-Y354 HydrophobicContact CE2-CD1 4.33Å; F337-Y354 HydrophobicContact CE2-CE1 4.1Å; F337-Y354 HydrophobicContact CZ-CD1 4.05Å; F337-Y354 HydrophobicContact CZ-CE1 4.3Å; W346-Y354 HydrophobicContact CH2-CD1 4.5Å; W346-Y354 AromaticContact CH2-CD2 3.89Å; W346-Y354 HydrophobicContact CH2-CD2 3.89Å; W346-Y354 HydrophobicContact CH2-CE2 4.2Å; W346-Y354 HydrophobicContact CH2-CG 4.05Å; W346-Y354 HydrophobicContact CZ3-CD1 4.11Å; W346-Y354 AromaticContact CZ3-CD2 3.99Å; W346-Y354 HydrophobicContact CZ3-CD2 3.99Å; W346-Y354 AromaticContact CZ3-CG 3.69Å; W346-Y354 HydrophobicContact CZ3-CG 3.69Å; D350-Y354 WeakPolarHBondContact O-CB 3.38Å; D350-Y354 PolarHBondContact O-N 2.56Å; V351-Y354 PolarHBondContact O-N 3.39Å; Y354-T356 VanDerWaalsContact C-N 3.29Å; Y354-T356 PolarHBondContact O-N 3.27Å; Y354-H357 PolarHBondContact O-N 2.89Å; Y354-Y358 HydrophobicContact CE1-CD2 4.49Å; Y354-Y358 HydrophobicContact CE1-CG 4.26Å; Y354-Y358 WeakPolarHBondContact O-CB 3.32Å; Y354-Y358 PolarHBondContact O-N 3.49Å |
| 355 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | -177.2 | -81.9 | 173.9 | 0 | 0 | 0 | 112.7 | L313 F337 V351 Y358 T359 M378 K382 I385 F386 | L313-L355 HydrophobicContact CD1-CD2 3.93Å; F337-L355 HydrophobicContact CE1-CD1 3.88Å; F337-L355 HydrophobicContact CE1-CD2 4.33Å; F337-L355 HydrophobicContact CE1-CG 4.12Å; F337-L355 HydrophobicContact CE2-CD2 3.89Å; F337-L355 HydrophobicContact CE2-CG 4.41Å; F337-L355 HydrophobicContact CZ-CD1 3.93Å; F337-L355 HydrophobicContact CZ-CD2 3.62Å; F337-L355 HydrophobicContact CZ-CG 3.64Å; V351-L355 HydrophobicContact CG1-CD1 3.96Å; V351-L355 WeakPolarHBondContact O-CB 3.37Å; V351-L355 PolarHBondContact O-N 3.46Å; L355-Y358 HydrophobicContact CD2-CD1 4.44Å; L355-T359 WeakPolarHBondContact O-CB 3.35Å; L355-T359 PolarHBondContact O-N 3.17Å; L355-T359 PolarHBondContact O-OG1 2.74Å; L355-T359 VanDerWaalsContact O-OG1 3.06Å; L355-M378 HydrophobicContact CD2-CE 3.98Å; L355-K382 HydrophobicContact CB-CD 4.34Å; L355-K382 HydrophobicContact CB-CG 4.06Å; L355-K382 HydrophobicContact CD1-CG 4.42Å; L355-I385 HydrophobicContact CD1-CB 4.05Å; L355-I385 HydrophobicContact CD1-CD1 3.96Å; L355-I385 HydrophobicContact CD1-CG2 3.74Å; L355-F386 HydrophobicContact CB-CE1 4.03Å; L355-F386 HydrophobicContact CB-CZ 4.11Å; L355-F386 HydrophobicContact CD1-CD1 4.25Å; L355-F386 HydrophobicContact CD1-CE1 3.59Å; L355-F386 HydrophobicContact CD1-CZ 4.33Å; L355-F386 HydrophobicContact CG-CE1 4.41Å |
| 356 | T | 97.7 | Very high | 96.2 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -50.9 | 175.1 | -60.4 | 0 | 0 | 0 | 0 | 111 | K352 L353 Y354 N360 | K352-T356 VanDerWaalsContact O-CB 3.3Å; K352-T356 WeakPolarHBondContact O-CB 3.48Å; K352-T356 PolarHBondContact O-N 3.01Å; K352-T356 PolarHBondContact O-OG1 3.21Å; L353-T356 PolarHBondContact O-N 3.26Å; Y354-T356 VanDerWaalsContact C-N 3.29Å; Y354-T356 PolarHBondContact O-N 3.27Å; T356-N360 WeakPolarHBondContact O-CB 3.06Å; T356-N360 PolarHBondContact O-N 2.95Å; T356-N360 PolarHBondContact O-OD1 3.35Å |
| 357 | H | 97.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.6 | -35.8 | 179.3 | -76.6 | -54.4 | 0 | 0 | 0 | 112.4 | A291 L292 K295 L353 Y354 S361 | A291-H357 HydrophobicContact CB-CB 4.26Å; L292-H357 HydrophobicContact CD2-CB 4.34Å; L292-H357 HydrophobicContact CG-CB 4.41Å; K295-H357 PolarHBondContact NZ-NE2 3.12Å; L353-H357 PolarHBondContact O-CD2 3.42Å; L353-H357 PolarHBondContact O-N 3.47Å; L353-H357 VanDerWaalsContact O-N 3.13Å; Y354-H357 PolarHBondContact O-N 2.89Å; H357-S361 VanDerWaalsContact O-CB 3.24Å; H357-S361 WeakPolarHBondContact O-CB 3.49Å; H357-S361 PolarHBondContact O-N 3.27Å; H357-S361 PolarHBondContact O-OG 2.96Å |
| 358 | Y | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -51.8 | 174.6 | 178 | -107.5 | 0 | 0 | 0 | 111.9 | H284 F306 S310 L313 Y354 L355 W374 M378 | H284-Y358 AromaticContact CE1-CD2 3.5Å; H284-Y358 AromaticContact CE1-CE2 3.19Å; H284-Y358 WeakPolarHBondContact CE1-CE2 3.47Å; H284-Y358 AromaticContact CE1-CZ 3.84Å; H284-Y358 PolarHBondContact CE1-O 3.39Å; H284-Y358 AromaticContact ND1-CE2 3.69Å; H284-Y358 AromaticContact NE2-CD2 3.89Å; H284-Y358 PolarHBondContact NE2-O 3.38Å; F306-Y358 AromaticContact CE2-CD2 3.82Å; F306-Y358 HydrophobicContact CE2-CD2 3.82Å; F306-Y358 HydrophobicContact CE2-CE2 4.1Å; F306-Y358 HydrophobicContact CZ-CD2 4.24Å; F306-Y358 HydrophobicContact CZ-CE2 4.11Å; S310-Y358 WeakPolarHBondContact CA-OH 3.43Å; S310-Y358 WeakPolarHBondContact OG-CE2 3.13Å; L313-Y358 HydrophobicContact CD1-CD1 3.96Å; L313-Y358 HydrophobicContact CD1-CE1 3.51Å; Y354-Y358 HydrophobicContact CE1-CD2 4.49Å; Y354-Y358 HydrophobicContact CE1-CG 4.26Å; Y354-Y358 WeakPolarHBondContact O-CB 3.32Å; Y354-Y358 PolarHBondContact O-N 3.49Å; L355-Y358 HydrophobicContact CD2-CD1 4.44Å; Y358-W374 HydrophobicContact CD1-CH2 4.41Å; Y358-W374 HydrophobicContact CD1-CZ2 4.22Å; Y358-W374 AromaticContact CE1-CH2 3.51Å; Y358-W374 HydrophobicContact CE1-CH2 3.51Å; Y358-W374 AromaticContact CE1-CZ2 3.74Å; Y358-W374 HydrophobicContact CE1-CZ2 3.74Å; Y358-W374 AromaticContact CZ-CH2 3.82Å; Y358-M378 HydrophobicContact CD1-CE 3.93Å; Y358-M378 HydrophobicContact CE1-CE 4.07Å; Y358-M378 HydrophobicContact CE1-SD 4.37Å |
| 359 | T | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 177.9 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | L355 S361 A362 W374 M378 | L355-T359 WeakPolarHBondContact O-CB 3.35Å; L355-T359 PolarHBondContact O-N 3.17Å; L355-T359 PolarHBondContact O-OG1 2.74Å; L355-T359 VanDerWaalsContact O-OG1 3.06Å; T359-S361 VanDerWaalsContact C-N 3.32Å; T359-S361 PolarHBondContact O-N 3.32Å; T359-A362 WeakPolarHBondContact O-CB 3.41Å; T359-A362 PolarHBondContact O-N 2.97Å; T359-W374 PolarHBondContact O-NE1 2.88Å; T359-W374 VanDerWaalsContact O-NE1 3.07Å; T359-M378 HydrophobicContact CG2-CB 3.71Å; T359-M378 HydrophobicContact CG2-CG 4.22Å; T359-M378 VanDerWaalsContact OG1-CE 3.31Å; T359-M378 WeakPolarHBondContact OG1-CE 3.46Å |
| 360 | N | 96.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.8 | -32.6 | -171.4 | -64.9 | -0.7 | 0 | 0 | 0 | 112.9 | T356 A362 H363 | T356-N360 WeakPolarHBondContact O-CB 3.06Å; T356-N360 PolarHBondContact O-N 2.95Å; T356-N360 PolarHBondContact O-OD1 3.35Å; N360-A362 PolarHBondContact O-N 2.97Å; N360-H363 WeakPolarHBondContact O-CB 3.36Å; N360-H363 PolarHBondContact O-CD2 2.96Å; N360-H363 PolarHBondContact O-N 3.01Å |
| 361 | S | 96.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.049 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -20.5 | -178.7 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | V288 H357 T359 H363 I364 | V288-S361 WeakPolarHBondContact CG2-OG 3.15Å; H357-S361 VanDerWaalsContact O-CB 3.24Å; H357-S361 WeakPolarHBondContact O-CB 3.49Å; H357-S361 PolarHBondContact O-N 3.27Å; H357-S361 PolarHBondContact O-OG 2.96Å; T359-S361 VanDerWaalsContact C-N 3.32Å; T359-S361 PolarHBondContact O-N 3.32Å; S361-H363 VanDerWaalsContact C-N 3.25Å; S361-H363 PolarHBondContact O-N 3.41Å; S361-I364 PolarHBondContact O-N 2.87Å |
| 362 | A | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -67 | -27 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T359 N360 I364 L365 F368 Q371 W374 | T359-A362 WeakPolarHBondContact O-CB 3.41Å; T359-A362 PolarHBondContact O-N 2.97Å; N360-A362 PolarHBondContact O-N 2.97Å; A362-I364 PolarHBondContact O-N 3.07Å; A362-L365 PolarHBondContact O-N 3.26Å; A362-F368 HydrophobicContact CB-CD1 4.16Å; A362-F368 HydrophobicContact CB-CE1 4.19Å; A362-Q371 PolarHBondContact O-NE2 3.43Å; A362-Q371 VanDerWaalsContact O-NE2 3.12Å; A362-W374 HydrophobicContact CB-CD2 4.49Å; A362-W374 HydrophobicContact CB-CZ2 4.2Å; A362-W374 VanDerWaalsContact CB-NE1 3.35Å |
| 363 | H | 93.8 | Very high | 94.5 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 35% | 0.352 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -67.8 | -19.9 | 175.6 | -59.9 | -56.4 | 0 | 0 | 0 | 114 | N360 S361 Q371 D375 | N360-H363 WeakPolarHBondContact O-CB 3.36Å; N360-H363 PolarHBondContact O-CD2 2.96Å; N360-H363 PolarHBondContact O-N 3.01Å; S361-H363 VanDerWaalsContact C-N 3.25Å; S361-H363 PolarHBondContact O-N 3.41Å; H363-Q371 PolarHBondContact CE1-OE1 3.03Å; H363-Q371 PolarHBondContact ND1-OE1 3.26Å; H363-D375 VanDerWaalsContact CE1-CG 3.46Å; H363-D375 IonicContact CE1-OD1 3.28Å; H363-D375 PolarHBondContact CE1-OD1 3.13Å; H363-D375 IonicContact CE1-OD2 3.67Å; H363-D375 PolarHBondContact CE1-OD2 2.79Å; H363-D375 VanDerWaalsContact CE1-OD2 3.28Å; H363-D375 IonicContact NE2-OD1 3.11Å; H363-D375 PolarHBondContact NE2-OD1 3.44Å; H363-D375 VanDerWaalsContact NE2-OD1 3.11Å; H363-D375 IonicContact NE2-OD2 3.98Å |
| 364 | I | 94.4 | Very high | 94.5 | Very high | 104 Ų | 104 | 47.1 Ų | 47.1 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -89.3 | -11.5 | -177.2 | -51.2 | 173.1 | 0 | 0 | 0 | 110.5 | L287 S361 A362 D366 | L287-I364 HydrophobicContact CD1-CB 3.99Å; L287-I364 HydrophobicContact CD1-CG2 4.09Å; L287-I364 HydrophobicContact CD2-CG2 4.27Å; S361-I364 PolarHBondContact O-N 2.87Å; A362-I364 PolarHBondContact O-N 3.07Å; I364-D366 PolarHBondContact O-N 3.36Å |
| 365 | L | 93 | Very high | 94.3 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | trans | -79 | 107.7 | -179.4 | -61.1 | 172.9 | 0 | 0 | 0 | 110.2 | L274 L280 Q283 H284 L287 A362 S367 F368 | L274-L365 HydrophobicContact CD2-CD1 3.73Å; L280-L365 HydrophobicContact CD2-CB 4.27Å; Q283-L365 HydrophobicContact CB-CD2 3.88Å; H284-L365 HydrophobicContact CB-CD1 3.89Å; H284-L365 HydrophobicContact CB-CD2 4.36Å; L287-L365 HydrophobicContact CD1-CD2 3.83Å; L287-L365 HydrophobicContact CD1-CG 4.47Å; A362-L365 PolarHBondContact O-N 3.26Å; L365-S367 PolarHBondContact O-N 2.93Å; L365-S367 VanDerWaalsContact O-N 3.15Å; L365-F368 HydrophobicContact CB-CB 3.8Å; L365-F368 PolarHBondContact O-N 3.14Å | ||
| 366 | D | 84 | Confident | 94.3 | Very high | 161 Ų | 161 | 52.6 Ų | 52.6 | 86% | 0.861 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.5 | -175.5 | -68.1 | -34.1 | 0 | 0 | 0 | 113.9 | I364 | I364-D366 PolarHBondContact O-N 3.36Š|
| 367 | S | 84.5 | Confident | 94.3 | Very high | 79 Ų | 79 | 50 Ų | 50 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.1 | -179.3 | -44.5 | 0 | 0 | 0 | 0 | 113.9 | L365 K369 | L365-S367 PolarHBondContact O-N 2.93Å; L365-S367 VanDerWaalsContact O-N 3.15Å; S367-K369 PolarHBondContact O-N 3.01Å |
| 368 | F | 91.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | trans | -89.8 | 103.7 | -177.9 | -173.7 | -119.5 | 0 | 0 | 0 | 111.3 | L271 V273 L274 A362 L365 H370 Q371 W374 | L271-F368 HydrophobicContact CD2-CE2 4.13Å; L271-F368 HydrophobicContact CD2-CZ 3.7Å; V273-F368 HydrophobicContact CG1-CD2 4.01Å; V273-F368 HydrophobicContact CG1-CE2 4.18Å; L274-F368 HydrophobicContact CD1-CD2 4.28Å; L274-F368 HydrophobicContact CD1-CE1 4.25Å; L274-F368 HydrophobicContact CD1-CE2 3.66Å; L274-F368 HydrophobicContact CD1-CZ 3.65Å; L274-F368 HydrophobicContact CD2-CB 4.41Å; L274-F368 HydrophobicContact CD2-CD1 4.27Å; L274-F368 HydrophobicContact CD2-CD2 3.54Å; L274-F368 HydrophobicContact CD2-CE2 3.81Å; L274-F368 HydrophobicContact CD2-CG 3.81Å; L274-F368 HydrophobicContact CD2-CZ 4.3Å; L274-F368 HydrophobicContact CG-CD2 3.72Å; L274-F368 HydrophobicContact CG-CE2 3.49Å; L274-F368 VanDerWaalsContact CG-CE2 3.49Å; L274-F368 HydrophobicContact CG-CG 4.42Å; L274-F368 HydrophobicContact CG-CZ 4.02Å; A362-F368 HydrophobicContact CB-CD1 4.16Å; A362-F368 HydrophobicContact CB-CE1 4.19Å; L365-F368 HydrophobicContact CB-CB 3.8Å; L365-F368 PolarHBondContact O-N 3.14Å; F368-H370 HydrophobicContact CE2-CB 3.92Å; F368-H370 HydrophobicContact CZ-CB 3.9Å; F368-Q371 VanDerWaalsContact CD1-NE2 3.34Å; F368-Q371 PolarHBondContact O-NE2 3Å; F368-W374 HydrophobicContact CE1-CB 3.76Å; F368-W374 HydrophobicContact CE1-CD2 4.38Å; F368-W374 AromaticContact CE1-CG 3.88Å; F368-W374 HydrophobicContact CE1-CG 3.88Å; F368-W374 HydrophobicContact CZ-CB 3.88Å; F368-W374 HydrophobicContact CZ-CD2 4.41Å; F368-W374 HydrophobicContact CZ-CG 4.18Å | ||
| 369 | K | 90.9 | Very high | 94.3 | Very high | 179 Ų | 179 | 49.5 Ų | 49.5 | 78% | 0.778 | 27% | 0.27 | S | S | * | . | trans | -96.8 | 0.3 | -171.9 | -62.6 | -176.3 | -179.8 | 179.8 | 0 | 114.9 | S367 Q371 | S367-K369 PolarHBondContact O-N 3.01Å; K369-Q371 PolarHBondContact O-N 2.98Å | ||
| 370 | H | 94.2 | Very high | 94.3 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | trans | -103.6 | 39.2 | -171.6 | -53.9 | -72.7 | 0 | 0 | 0 | 112.7 | E270 L271 F368 A372 V373 W374 | E270-H370 VanDerWaalsContact CB-CE1 3.5Å; E270-H370 WeakPolarHBondContact CB-CE1 3.37Å; L271-H370 HydrophobicContact CD2-CB 3.96Å; F368-H370 HydrophobicContact CE2-CB 3.92Å; F368-H370 HydrophobicContact CZ-CB 3.9Å; H370-A372 PolarHBondContact O-N 2.85Å; H370-V373 PolarHBondContact O-N 3.16Å; H370-W374 VanDerWaalsContact O-CB 3.31Å; H370-W374 WeakPolarHBondContact O-CB 3.46Å; H370-W374 PolarHBondContact O-N 3.45Å | ||
| 371 | Q | 93.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 21% | 0.21 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | -170.9 | -57.1 | -64.2 | -6.8 | 0 | 0 | 112.8 | A362 H363 F368 K369 V373 W374 D375 | A362-Q371 PolarHBondContact O-NE2 3.43Å; A362-Q371 VanDerWaalsContact O-NE2 3.12Å; H363-Q371 PolarHBondContact CE1-OE1 3.03Å; H363-Q371 PolarHBondContact ND1-OE1 3.26Å; F368-Q371 VanDerWaalsContact CD1-NE2 3.34Å; F368-Q371 PolarHBondContact O-NE2 3Å; K369-Q371 PolarHBondContact O-N 2.98Å; Q371-V373 PolarHBondContact O-N 3.24Å; Q371-W374 WeakPolarHBondContact O-CB 3.26Å; Q371-W374 PolarHBondContact O-N 3.47Å; Q371-D375 PolarHBondContact O-N 3.4Å |
| 372 | A | 93.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 66% | 0.661 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.3 | -43.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H370 W374 D375 R376 | H370-A372 PolarHBondContact O-N 2.85Å; A372-W374 VanDerWaalsContact C-N 3.34Å; A372-D375 PolarHBondContact O-N 3.43Å; A372-R376 WeakPolarHBondContact O-CB 3.15Å; A372-R376 PolarHBondContact O-N 3.28Å |
| 373 | V | 95.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | F264 E267 L268 L271 H370 Q371 Y377 | F264-V373 HydrophobicContact CD2-CG1 4.49Å; F264-V373 HydrophobicContact CE2-CG1 4.06Å; E267-V373 HydrophobicContact CB-CG1 4.12Å; E267-V373 HydrophobicContact CB-CG2 4.02Å; E267-V373 WeakPolarHBondContact OE2-CG2 3.29Å; L268-V373 HydrophobicContact CD2-CG1 3.86Å; L271-V373 HydrophobicContact CD1-CG1 4.36Å; L271-V373 HydrophobicContact CD2-CB 4.5Å; L271-V373 HydrophobicContact CD2-CG1 4.22Å; L271-V373 HydrophobicContact CG-CG1 4.3Å; H370-V373 PolarHBondContact O-N 3.16Å; Q371-V373 PolarHBondContact O-N 3.24Å; V373-Y377 VanDerWaalsContact O-CB 3.26Å; V373-Y377 WeakPolarHBondContact O-CB 3.43Å; V373-Y377 PolarHBondContact O-N 3.23Å |
| 374 | W | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.4 | 179.3 | -111 | 0 | 0 | 0 | 112.5 | L271 L274 V314 Y358 T359 A362 F368 H370 Q371 A372 Y377 M378 | L271-W374 HydrophobicContact CD1-CE3 4.07Å; L271-W374 HydrophobicContact CD2-CB 4.18Å; L271-W374 HydrophobicContact CD2-CE3 4.08Å; L274-W374 HydrophobicContact CD1-CD2 4.34Å; L274-W374 HydrophobicContact CD1-CE3 3.87Å; L274-W374 HydrophobicContact CD1-CH2 3.97Å; L274-W374 HydrophobicContact CD1-CZ2 4.44Å; L274-W374 HydrophobicContact CD1-CZ3 3.67Å; V314-W374 HydrophobicContact CG2-CZ3 4.25Å; Y358-W374 HydrophobicContact CD1-CH2 4.41Å; Y358-W374 HydrophobicContact CD1-CZ2 4.22Å; Y358-W374 AromaticContact CE1-CH2 3.51Å; Y358-W374 HydrophobicContact CE1-CH2 3.51Å; Y358-W374 AromaticContact CE1-CZ2 3.74Å; Y358-W374 HydrophobicContact CE1-CZ2 3.74Å; Y358-W374 AromaticContact CZ-CH2 3.82Å; T359-W374 PolarHBondContact O-NE1 2.88Å; T359-W374 VanDerWaalsContact O-NE1 3.07Å; A362-W374 HydrophobicContact CB-CD2 4.49Å; A362-W374 HydrophobicContact CB-CZ2 4.2Å; A362-W374 VanDerWaalsContact CB-NE1 3.35Å; F368-W374 HydrophobicContact CE1-CB 3.76Å; F368-W374 HydrophobicContact CE1-CD2 4.38Å; F368-W374 AromaticContact CE1-CG 3.88Å; F368-W374 HydrophobicContact CE1-CG 3.88Å; F368-W374 HydrophobicContact CZ-CB 3.88Å; F368-W374 HydrophobicContact CZ-CD2 4.41Å; F368-W374 HydrophobicContact CZ-CG 4.18Å; H370-W374 VanDerWaalsContact O-CB 3.31Å; H370-W374 WeakPolarHBondContact O-CB 3.46Å; H370-W374 PolarHBondContact O-N 3.45Å; Q371-W374 WeakPolarHBondContact O-CB 3.26Å; Q371-W374 PolarHBondContact O-N 3.47Å; A372-W374 VanDerWaalsContact C-N 3.34Å; W374-Y377 HydrophobicContact CE3-CD1 4.42Å; W374-Y377 HydrophobicContact CZ3-CD1 4.37Å; W374-Y377 PolarHBondContact O-N 2.91Å; W374-M378 HydrophobicContact CD2-CG 3.64Å; W374-M378 VanDerWaalsContact CE2-CG 3.44Å; W374-M378 HydrophobicContact CE3-CG 3.8Å; W374-M378 HydrophobicContact CG-CG 4.37Å; W374-M378 HydrophobicContact CH2-CG 3.68Å; W374-M378 HydrophobicContact CH2-SD 3.73Å; W374-M378 HydrophobicContact CZ2-CG 3.49Å; W374-M378 VanDerWaalsContact CZ2-CG 3.49Å; W374-M378 HydrophobicContact CZ2-SD 4.02Å; W374-M378 HydrophobicContact CZ3-CG 3.82Å; W374-M378 HydrophobicContact CZ3-SD 4.02Å; W374-M378 VanDerWaalsContact O-CB 3.27Å; W374-M378 WeakPolarHBondContact O-CB 3.34Å; W374-M378 WeakPolarHBondContact O-CG 3.31Å; W374-M378 PolarHBondContact O-N 3.33Å |
| 375 | D | 96.3 | Very high | 95 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.2 | -46.6 | 179 | -75.3 | -32 | 0 | 0 | 0 | 111.9 | H363 Q371 A372 Y377 G379 | H363-D375 VanDerWaalsContact CE1-CG 3.46Å; H363-D375 IonicContact CE1-OD1 3.28Å; H363-D375 PolarHBondContact CE1-OD1 3.13Å; H363-D375 IonicContact CE1-OD2 3.67Å; H363-D375 PolarHBondContact CE1-OD2 2.79Å; H363-D375 VanDerWaalsContact CE1-OD2 3.28Å; H363-D375 IonicContact NE2-OD1 3.11Å; H363-D375 PolarHBondContact NE2-OD1 3.44Å; H363-D375 VanDerWaalsContact NE2-OD1 3.11Å; H363-D375 IonicContact NE2-OD2 3.98Å; Q371-D375 PolarHBondContact O-N 3.4Å; A372-D375 PolarHBondContact O-N 3.43Å; D375-Y377 VanDerWaalsContact C-N 3.31Å; D375-Y377 PolarHBondContact O-N 2.88Å; D375-G379 WeakPolarHBondContact O-CA 3.26Å; D375-G379 PolarHBondContact O-N 3.45Å |
| 376 | R | 96.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.9 | -173.5 | 174.8 | 175.5 | -164.3 | -3.3 | 111.7 | N243 W244 D261 F264 A372 | N243-R376 PolarHBondContact O-NE 3.2Å; N243-R376 PolarHBondContact O-NH2 3.28Å; W244-R376 PolarHBondContact NE1-O 3.07Å; W244-R376 VanDerWaalsContact NE1-O 3.13Å; D261-R376 IonicContact OD2-CZ 3.79Å; D261-R376 IonicContact OD2-NH1 2.92Å; D261-R376 PolarHBondContact OD2-NH1 3.3Å; D261-R376 IonicContact OD2-NH2 3.36Å; D261-R376 PolarHBondContact OD2-NH2 2.9Å; F264-R376 VanDerWaalsContact CB-NH1 3.32Å; F264-R376 HydrophobicContact CD2-CG 4.31Å; F264-R376 HydrophobicContact CE1-CG 4.4Å; F264-R376 HydrophobicContact CE2-CB 3.85Å; F264-R376 HydrophobicContact CE2-CG 3.67Å; F264-R376 HydrophobicContact CZ-CB 4.11Å; F264-R376 HydrophobicContact CZ-CG 3.71Å; A372-R376 WeakPolarHBondContact O-CB 3.15Å; A372-R376 PolarHBondContact O-N 3.28Å |
| 377 | Y | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.2 | -58.3 | 175.9 | 177 | -111.8 | 0 | 0 | 0 | 112.1 | W244 L268 L271 L313 A317 L320 V373 W374 D375 G379 V380 I381 | W244-Y377 HydrophobicContact CH2-CD2 4.03Å; W244-Y377 AromaticContact CH2-CE2 3.97Å; W244-Y377 HydrophobicContact CH2-CE2 3.97Å; W244-Y377 AromaticContact CZ2-CD2 3.62Å; W244-Y377 HydrophobicContact CZ2-CD2 3.62Å; W244-Y377 HydrophobicContact CZ2-CE2 4.01Å; L268-Y377 HydrophobicContact CD1-CD2 4.16Å; L268-Y377 HydrophobicContact CD2-CD2 3.74Å; L268-Y377 HydrophobicContact CD2-CG 3.84Å; L271-Y377 HydrophobicContact CD1-CD1 3.99Å; L271-Y377 HydrophobicContact CD1-CG 4.17Å; L313-Y377 PolarHBondContact O-OH 3.24Å; A317-Y377 HydrophobicContact CB-CD1 4.28Å; A317-Y377 HydrophobicContact CB-CD2 4.08Å; A317-Y377 HydrophobicContact CB-CE1 3.8Å; A317-Y377 HydrophobicContact CB-CE2 3.58Å; A317-Y377 HydrophobicContact CB-CG 4.42Å; A317-Y377 VanDerWaalsContact CB-CZ 3.43Å; A317-Y377 PolarHBondContact N-OH 3.21Å; L320-Y377 HydrophobicContact CD1-CE2 4.31Å; V373-Y377 VanDerWaalsContact O-CB 3.26Å; V373-Y377 WeakPolarHBondContact O-CB 3.43Å; V373-Y377 PolarHBondContact O-N 3.23Å; W374-Y377 HydrophobicContact CE3-CD1 4.42Å; W374-Y377 HydrophobicContact CZ3-CD1 4.37Å; W374-Y377 PolarHBondContact O-N 2.91Å; D375-Y377 VanDerWaalsContact C-N 3.31Å; D375-Y377 PolarHBondContact O-N 2.88Å; Y377-G379 VanDerWaalsContact C-N 3.28Å; Y377-G379 PolarHBondContact O-N 3.24Å; Y377-V380 PolarHBondContact O-N 3.35Å; Y377-I381 HydrophobicContact CD1-CG1 4.18Å; Y377-I381 HydrophobicContact CD2-CD1 4.44Å; Y377-I381 HydrophobicContact CD2-CG1 3.95Å; Y377-I381 HydrophobicContact CE1-CD1 4.38Å; Y377-I381 HydrophobicContact CE1-CG1 3.76Å; Y377-I381 HydrophobicContact CE2-CD1 3.59Å; Y377-I381 HydrophobicContact CE2-CG1 3.5Å; Y377-I381 HydrophobicContact CG-CG1 4.26Å; Y377-I381 VanDerWaalsContact O-CG1 3.28Å; Y377-I381 WeakPolarHBondContact O-CG1 3.45Å; Y377-I381 PolarHBondContact O-N 2.92Å; Y377-I381 WeakPolarHBondContact OH-CD1 3.48Å |
| 378 | M | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.4 | -26.7 | -174.3 | -74.3 | -55.1 | -59.2 | 0 | 0 | 112.8 | L313 L355 Y358 T359 W374 I381 K382 | L313-M378 HydrophobicContact CD1-CE 4.22Å; L355-M378 HydrophobicContact CD2-CE 3.98Å; Y358-M378 HydrophobicContact CD1-CE 3.93Å; Y358-M378 HydrophobicContact CE1-CE 4.07Å; Y358-M378 HydrophobicContact CE1-SD 4.37Å; T359-M378 HydrophobicContact CG2-CB 3.71Å; T359-M378 HydrophobicContact CG2-CG 4.22Å; T359-M378 VanDerWaalsContact OG1-CE 3.31Å; T359-M378 WeakPolarHBondContact OG1-CE 3.46Å; W374-M378 HydrophobicContact CD2-CG 3.64Å; W374-M378 VanDerWaalsContact CE2-CG 3.44Å; W374-M378 HydrophobicContact CE3-CG 3.8Å; W374-M378 HydrophobicContact CG-CG 4.37Å; W374-M378 HydrophobicContact CH2-CG 3.68Å; W374-M378 HydrophobicContact CH2-SD 3.73Å; W374-M378 HydrophobicContact CZ2-CG 3.49Å; W374-M378 VanDerWaalsContact CZ2-CG 3.49Å; W374-M378 HydrophobicContact CZ2-SD 4.02Å; W374-M378 HydrophobicContact CZ3-CG 3.82Å; W374-M378 HydrophobicContact CZ3-SD 4.02Å; W374-M378 VanDerWaalsContact O-CB 3.27Å; W374-M378 WeakPolarHBondContact O-CB 3.34Å; W374-M378 WeakPolarHBondContact O-CG 3.31Å; W374-M378 PolarHBondContact O-N 3.33Å; M378-I381 HydrophobicContact CE-CG2 4.15Å; M378-I381 PolarHBondContact O-N 3.16Å; M378-I381 HydrophobicContact SD-CB 4.33Å; M378-I381 HydrophobicContact SD-CG2 4.24Å; M378-K382 HydrophobicContact CE-CG 4.18Å; M378-K382 VanDerWaalsContact O-CB 3.27Å; M378-K382 WeakPolarHBondContact O-CB 3.23Å; M378-K382 VanDerWaalsContact O-CE 3.3Å; M378-K382 WeakPolarHBondContact O-CE 3.39Å; M378-K382 WeakPolarHBondContact O-CG 3.25Å; M378-K382 PolarHBondContact O-N 3.3Å |
| 379 | G | 97.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -54.3 | -53.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D375 Y377 S383 | D375-G379 WeakPolarHBondContact O-CA 3.26Å; D375-G379 PolarHBondContact O-N 3.45Å; Y377-G379 VanDerWaalsContact C-N 3.28Å; Y377-G379 PolarHBondContact O-N 3.24Å; G379-S383 PolarHBondContact O-N 2.96Å; G379-S383 PolarHBondContact O-OG 2.97Å; G379-S383 VanDerWaalsContact O-OG 3.1Å |
| 380 | V | 98 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.3 | -45.9 | 178.1 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | Q239 L240 N243 W244 Y377 K382 S383 C384 | Q239-V380 HydrophobicContact CB-CG1 4.1Å; Q239-V380 HydrophobicContact CB-CG2 4.4Å; Q239-V380 WeakPolarHBondContact O-CG2 3.19Å; L240-V380 HydrophobicContact CD2-CG1 3.76Å; L240-V380 HydrophobicContact CG-CG1 4.13Å; N243-V380 HydrophobicContact CB-CG2 3.48Å; N243-V380 VanDerWaalsContact CB-CG2 3.48Å; W244-V380 HydrophobicContact CD2-CG1 4.34Å; W244-V380 HydrophobicContact CD2-CG2 4.43Å; W244-V380 HydrophobicContact CG-CG2 4.37Å; W244-V380 HydrophobicContact CH2-CG1 4.15Å; W244-V380 HydrophobicContact CZ2-CB 3.64Å; W244-V380 HydrophobicContact CZ2-CG1 3.72Å; W244-V380 HydrophobicContact CZ2-CG2 4.31Å; W244-V380 VanDerWaalsContact NE1-CG2 3.27Å; Y377-V380 PolarHBondContact O-N 3.35Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.42Å; V380-S383 PolarHBondContact O-N 3.5Å; V380-C384 WeakPolarHBondContact O-CB 3.39Å; V380-C384 PolarHBondContact O-N 3.48Å; V380-C384 PolarHBondContact O-SG 3.42Å |
| 381 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | -178.1 | -67.3 | -71.7 | 0 | 0 | 0 | 111.6 | W244 L313 F329 L333 Y377 M378 C384 I385 | W244-I381 HydrophobicContact CH2-CD1 4.08Å; W244-I381 HydrophobicContact CH2-CG1 4.44Å; W244-I381 HydrophobicContact CZ2-CD1 4.44Å; W244-I381 HydrophobicContact CZ2-CG1 4.3Å; L313-I381 HydrophobicContact CD2-CG2 3.85Å; F329-I381 HydrophobicContact CE2-CD1 3.75Å; F329-I381 HydrophobicContact CZ-CD1 3.86Å; L333-I381 HydrophobicContact CD2-CD1 3.79Å; L333-I381 HydrophobicContact CD2-CG2 4.42Å; Y377-I381 HydrophobicContact CD1-CG1 4.18Å; Y377-I381 HydrophobicContact CD2-CD1 4.44Å; Y377-I381 HydrophobicContact CD2-CG1 3.95Å; Y377-I381 HydrophobicContact CE1-CD1 4.38Å; Y377-I381 HydrophobicContact CE1-CG1 3.76Å; Y377-I381 HydrophobicContact CE2-CD1 3.59Å; Y377-I381 HydrophobicContact CE2-CG1 3.5Å; Y377-I381 HydrophobicContact CG-CG1 4.26Å; Y377-I381 VanDerWaalsContact O-CG1 3.28Å; Y377-I381 WeakPolarHBondContact O-CG1 3.45Å; Y377-I381 PolarHBondContact O-N 2.92Å; Y377-I381 WeakPolarHBondContact OH-CD1 3.48Å; M378-I381 HydrophobicContact CE-CG2 4.15Å; M378-I381 PolarHBondContact O-N 3.16Å; M378-I381 HydrophobicContact SD-CB 4.33Å; M378-I381 HydrophobicContact SD-CG2 4.24Å; I381-C384 PolarHBondContact O-N 3.28Å; I381-I385 HydrophobicContact CG2-CD1 3.57Å; I381-I385 HydrophobicContact CG2-CG1 4.43Å; I381-I385 WeakPolarHBondContact O-CB 3.36Å; I381-I385 VanDerWaalsContact O-CG1 3.26Å; I381-I385 WeakPolarHBondContact O-CG1 3.47Å; I381-I385 PolarHBondContact O-N 3.48Å |
| 382 | K | 97.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 19% | 0.191 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -51 | 176.3 | -74.8 | -175.3 | -62.6 | -174.2 | 0 | 111.3 | L355 M378 V380 C384 I385 F386 | L355-K382 HydrophobicContact CB-CD 4.34Å; L355-K382 HydrophobicContact CB-CG 4.06Å; L355-K382 HydrophobicContact CD1-CG 4.42Å; M378-K382 HydrophobicContact CE-CG 4.18Å; M378-K382 VanDerWaalsContact O-CB 3.27Å; M378-K382 WeakPolarHBondContact O-CB 3.23Å; M378-K382 VanDerWaalsContact O-CE 3.3Å; M378-K382 WeakPolarHBondContact O-CE 3.39Å; M378-K382 WeakPolarHBondContact O-CG 3.25Å; M378-K382 PolarHBondContact O-N 3.3Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.42Å; K382-C384 VanDerWaalsContact C-N 3.33Å; K382-C384 PolarHBondContact O-N 2.68Å; K382-I385 PolarHBondContact O-N 2.94Å; K382-F386 HydrophobicContact CB-CE2 3.99Å; K382-F386 HydrophobicContact CB-CZ 4.06Å; K382-F386 HydrophobicContact CG-CZ 4.34Å; K382-F386 WeakPolarHBondContact O-CB 3.26Å; K382-F386 WeakPolarHBondContact O-CD1 3.38Å; K382-F386 WeakPolarHBondContact O-CD2 3.42Å; K382-F386 WeakPolarHBondContact O-CG 3.45Å; K382-F386 PolarHBondContact O-N 3.37Å |
| 383 | S | 98.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 32.5 Ų | 32.5 | 23% | 0.231 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | -179.6 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | Q239 G379 V380 F386 K387 | Q239-S383 PolarHBondContact OE1-OG 3.28Å; G379-S383 PolarHBondContact O-N 2.96Å; G379-S383 PolarHBondContact O-OG 2.97Å; G379-S383 VanDerWaalsContact O-OG 3.1Å; V380-S383 PolarHBondContact O-N 3.5Å; S383-F386 PolarHBondContact O-N 2.68Å; S383-K387 WeakPolarHBondContact O-CB 3.3Å; S383-K387 PolarHBondContact O-N 3.18Å |
| 384 | C | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.6 | -48 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | C236 L333 V380 I381 K382 F386 K387 M388 | C236-C384 HydrophobicContact CB-CB 4.47Å; C236-C384 VanDerWaalsContact SG-SG 3.65Å; L333-C384 HydrophobicContact CD1-CB 3.96Å; V380-C384 WeakPolarHBondContact O-CB 3.39Å; V380-C384 PolarHBondContact O-N 3.48Å; V380-C384 PolarHBondContact O-SG 3.42Å; I381-C384 PolarHBondContact O-N 3.28Å; K382-C384 VanDerWaalsContact C-N 3.33Å; K382-C384 PolarHBondContact O-N 2.68Å; C384-F386 PolarHBondContact O-N 3.18Å; C384-K387 PolarHBondContact O-N 2.95Å; C384-M388 HydrophobicContact CB-SD 4.48Å; C384-M388 WeakPolarHBondContact O-CB 3.25Å; C384-M388 WeakPolarHBondContact O-CG 3.43Å; C384-M388 PolarHBondContact O-N 2.98Å |
| 385 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.2 | -70.1 | 167.2 | 0 | 0 | 0 | 110.6 | L313 L333 F337 I338 V351 L355 I381 K382 K387 M388 Y389 | L313-I385 HydrophobicContact CD2-CD1 3.97Å; L333-I385 HydrophobicContact CD2-CD1 4.23Å; L333-I385 HydrophobicContact CD2-CG1 4.15Å; F337-I385 HydrophobicContact CB-CD1 4.38Å; F337-I385 HydrophobicContact CD1-CD1 3.7Å; F337-I385 HydrophobicContact CD1-CG1 4.35Å; F337-I385 HydrophobicContact CD1-CG2 3.87Å; F337-I385 HydrophobicContact CE1-CD1 4.14Å; F337-I385 HydrophobicContact CE1-CG2 3.89Å; F337-I385 HydrophobicContact CG-CD1 3.95Å; I338-I385 HydrophobicContact CG1-CG2 4.23Å; V351-I385 HydrophobicContact CG1-CG2 3.83Å; L355-I385 HydrophobicContact CD1-CB 4.05Å; L355-I385 HydrophobicContact CD1-CD1 3.96Å; L355-I385 HydrophobicContact CD1-CG2 3.74Å; I381-I385 HydrophobicContact CG2-CD1 3.57Å; I381-I385 HydrophobicContact CG2-CG1 4.43Å; I381-I385 WeakPolarHBondContact O-CB 3.36Å; I381-I385 VanDerWaalsContact O-CG1 3.26Å; I381-I385 WeakPolarHBondContact O-CG1 3.47Å; I381-I385 PolarHBondContact O-N 3.48Å; K382-I385 PolarHBondContact O-N 2.94Å; I385-K387 VanDerWaalsContact C-N 3.26Å; I385-K387 PolarHBondContact O-N 3.17Å; I385-M388 PolarHBondContact O-N 2.88Å; I385-Y389 VanDerWaalsContact O-CB 3.25Å; I385-Y389 WeakPolarHBondContact O-CB 3.35Å; I385-Y389 PolarHBondContact O-N 3.44Å |
| 386 | F | 97.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 33 Ų | 33 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.4 | -34.4 | 178.9 | -63.5 | -16.5 | 0 | 0 | 0 | 112.8 | V351 K352 L355 K382 S383 C384 | V351-F386 HydrophobicContact CG1-CD1 4.26Å; V351-F386 HydrophobicContact CG1-CE1 4.23Å; K352-F386 VanDerWaalsContact CA-CE1 3.45Å; K352-F386 HydrophobicContact CB-CE1 4.05Å; K352-F386 HydrophobicContact CB-CZ 4.11Å; K352-F386 HydrophobicContact CG-CD1 3.65Å; K352-F386 HydrophobicContact CG-CD2 4.17Å; K352-F386 HydrophobicContact CG-CE1 3.54Å; K352-F386 HydrophobicContact CG-CE2 4.05Å; K352-F386 HydrophobicContact CG-CG 3.98Å; K352-F386 HydrophobicContact CG-CZ 3.75Å; L355-F386 HydrophobicContact CB-CE1 4.03Å; L355-F386 HydrophobicContact CB-CZ 4.11Å; L355-F386 HydrophobicContact CD1-CD1 4.25Å; L355-F386 HydrophobicContact CD1-CE1 3.59Å; L355-F386 HydrophobicContact CD1-CZ 4.33Å; L355-F386 HydrophobicContact CG-CE1 4.41Å; K382-F386 HydrophobicContact CB-CE2 3.99Å; K382-F386 HydrophobicContact CB-CZ 4.06Å; K382-F386 HydrophobicContact CG-CZ 4.34Å; K382-F386 WeakPolarHBondContact O-CB 3.26Å; K382-F386 WeakPolarHBondContact O-CD1 3.38Å; K382-F386 WeakPolarHBondContact O-CD2 3.42Å; K382-F386 WeakPolarHBondContact O-CG 3.45Å; K382-F386 PolarHBondContact O-N 3.37Å; S383-F386 PolarHBondContact O-N 2.68Å; C384-F386 PolarHBondContact O-N 3.18Å |
| 387 | K | 98 | Very high | 96.2 | Very high | 69 Ų | 69 | 32.2 Ų | 32.2 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -72.4 | -41.6 | 175.7 | -171.4 | 62.4 | 165.3 | 112.4 | 0 | 111.9 | D232 F235 S383 C384 I385 H390 | D232-K387 HydrophobicContact CB-CG 4.24Å; D232-K387 WeakPolarHBondContact OD1-CE 3.35Å; D232-K387 IonicContact OD1-NZ 3.08Å; D232-K387 PolarHBondContact OD1-NZ 3.46Å; F235-K387 HydrophobicContact CB-CD 4.25Å; F235-K387 HydrophobicContact CB-CG 4.03Å; F235-K387 HydrophobicContact CD1-CB 3.57Å; F235-K387 HydrophobicContact CD1-CD 4Å; F235-K387 HydrophobicContact CD1-CG 3.54Å; F235-K387 HydrophobicContact CE1-CB 3.87Å; F235-K387 HydrophobicContact CE1-CG 4.27Å; F235-K387 HydrophobicContact CG-CB 4.42Å; F235-K387 HydrophobicContact CG-CD 4.03Å; F235-K387 HydrophobicContact CG-CG 3.93Å; S383-K387 WeakPolarHBondContact O-CB 3.3Å; S383-K387 PolarHBondContact O-N 3.18Å; C384-K387 PolarHBondContact O-N 2.95Å; I385-K387 VanDerWaalsContact C-N 3.26Å; I385-K387 PolarHBondContact O-N 3.17Å; K387-H390 PolarHBondContact O-CD2 3.29Å; K387-H390 PolarHBondContact O-NE2 2.91Å |
| 388 | M | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -81.4 | -15.7 | -176.5 | -65.7 | 166.5 | 68 | 0 | 0 | 113.3 | L225 Y227 L228 F330 L333 V334 I338 C384 I385 H390 | L225-M388 HydrophobicContact CD2-CE 4.43Å; Y227-M388 WeakPolarHBondContact CE2-O 3.46Å; Y227-M388 PolarHBondContact OH-O 2.99Å; L228-M388 HydrophobicContact CD1-CB 4.49Å; L228-M388 HydrophobicContact CD1-CE 3.67Å; L228-M388 HydrophobicContact CD1-CG 4.08Å; L228-M388 HydrophobicContact CD2-CB 3.89Å; L228-M388 HydrophobicContact CD2-CG 3.96Å; F330-M388 HydrophobicContact CB-CE 4.17Å; F330-M388 HydrophobicContact CD1-CE 3.89Å; F330-M388 HydrophobicContact CD1-SD 3.69Å; F330-M388 HydrophobicContact CE1-SD 4.22Å; L333-M388 HydrophobicContact CB-CE 4.42Å; L333-M388 HydrophobicContact CD1-SD 4.05Å; V334-M388 HydrophobicContact CG2-CE 3.66Å; I338-M388 HydrophobicContact CD1-CB 3.75Å; I338-M388 HydrophobicContact CD1-CE 4.3Å; C384-M388 HydrophobicContact CB-SD 4.48Å; C384-M388 WeakPolarHBondContact O-CB 3.25Å; C384-M388 WeakPolarHBondContact O-CG 3.43Å; C384-M388 PolarHBondContact O-N 2.98Å; I385-M388 PolarHBondContact O-N 2.88Å; M388-H390 PolarHBondContact O-N 3.02Å |
| 389 | Y | 97.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 4% | 0.043 | 20% | 0.195 | C | C | . | . | trans | -80.2 | 88.1 | 179.2 | -157.4 | -86.5 | 0 | 0 | 0 | 110.4 | I338 C341 R342 W346 S348 V351 I385 | I338-Y389 HydrophobicContact CB-CD2 4.31Å; I338-Y389 HydrophobicContact CG1-CD2 4.23Å; I338-Y389 HydrophobicContact CG2-CD2 3.71Å; I338-Y389 HydrophobicContact CG2-CE2 3.97Å; C341-Y389 HydrophobicContact CB-CE2 3.83Å; R342-Y389 HydrophobicContact CG-CE2 3.77Å; R342-Y389 PolarHBondContact N-OH 3.44Å; W346-Y389 WeakPolarHBondContact O-CE1 3.34Å; W346-Y389 PolarHBondContact O-OH 2.78Å; S348-Y389 PolarHBondContact OG-O 2.91Å; V351-Y389 HydrophobicContact CG2-CD1 4.26Å; V351-Y389 HydrophobicContact CG2-CD2 3.93Å; V351-Y389 HydrophobicContact CG2-CE1 3.99Å; V351-Y389 HydrophobicContact CG2-CE2 3.67Å; V351-Y389 HydrophobicContact CG2-CG 4.22Å; I385-Y389 VanDerWaalsContact O-CB 3.25Å; I385-Y389 WeakPolarHBondContact O-CB 3.35Å; I385-Y389 PolarHBondContact O-N 3.44Å | ||
| 390 | H | 93.8 | Very high | 95.8 | Very high | 68 Ų | 68 | 38 Ų | 38 | 32% | 0.315 | 19% | 0.188 | S | C | . | . | trans | -85.7 | 126.9 | 169.1 | -59.6 | -178 | 0 | 0 | 0 | 108.5 | Y227 D232 R342 K387 M388 | Y227-H390 HydrophobicContact CD2-CB 4.31Å; Y227-H390 AromaticContact CD2-ND1 3.77Å; Y227-H390 HydrophobicContact CE2-CB 4.45Å; Y227-H390 PolarHBondContact O-ND1 3.3Å; D232-H390 IonicContact OD1-NE2 2.81Å; D232-H390 IonicContact OD2-CE1 3.78Å; D232-H390 PolarHBondContact OD2-CE1 2.84Å; D232-H390 VanDerWaalsContact OD2-CE1 3.29Å; D232-H390 IonicContact OD2-NE2 3.76Å; R342-H390 PolarHBondContact NE-O 3.03Å; R342-H390 PolarHBondContact NH2-O 3.24Å; K387-H390 PolarHBondContact O-CD2 3.29Å; K387-H390 PolarHBondContact O-NE2 2.91Å; M388-H390 PolarHBondContact O-N 3.02Å | ||
| 391 | D | 74.7 | Confident | 95.6 | Very high | 169 Ų | 169 | 41.5 Ų | 41.5 | 90% | 0.904 | 21% | 0.205 | S | C | * | . | trans | -65.7 | 0 | 177.9 | -73.2 | -21 | 0 | 0 | 0 | 112.6 | S348 | S348-D391 WeakPolarHBondContact CB-OD1 3.34Å; S348-D391 PolarHBondContact N-OD1 3.24Å; S348-D391 PolarHBondContact OG-OD1 2.97Å; S348-D391 PolarHBondContact OG-OD2 3.32Å |
Retrieved 391 of 391 residues in 3417.9 ms
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