| 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 | 57.3 | Low | 61.3 | Low | 242 Ų | 242 | 151.4 Ų | 151.4 | 100% | 1.192 | 74% | 0.743 | S | S | * | * | 0 | 17.3 | 0 | -132.7 | -177.2 | -81.3 | 0 | 0 | 113.2 | |||||
| 2 | E | 56.7 | Low | 61.9 | Low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -103.7 | -20.6 | -177 | -129.9 | 173.4 | 171 | 0 | 0 | 113.7 | ||||
| 3 | A | 58 | Low | 62.9 | Low | 83 Ų | 83 | 146.2 Ų | 146.2 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -74.9 | -26 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 4 | I | 59.4 | Low | 63.5 | Low | 140 Ų | 140 | 142.3 Ų | 142.3 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78 | -34.5 | -175.7 | -63.4 | 177.7 | 0 | 0 | 0 | 111.6 | K6 K7 M8 | I4-K6 PolarHBondContact O-N 3.25Å; I4-K7 PolarHBondContact O-N 3.01Å; I4-M8 PolarHBondContact O-N 3.38Å |
| 5 | K | 60.2 | Low | 64.1 | Low | 174 Ų | 174 | 142.3 Ų | 142.3 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -66.1 | -38.8 | 179.8 | -131.3 | 178.4 | -176.8 | -178.5 | 0 | 112.1 | K7 M8 Q9 | K5-K7 VanDerWaalsContact C-N 3.34Å; K5-K7 PolarHBondContact O-N 2.92Å; K5-M8 PolarHBondContact O-N 3.39Å; K5-Q9 PolarHBondContact O-N 3.42Å |
| 6 | K | 61.3 | Low | 64.6 | Low | 163 Ų | 163 | 139.3 Ų | 139.3 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.8 | -36.4 | 174.9 | -100.9 | -177.6 | 174.2 | 177.8 | 0 | 113.1 | I4 M10 | I4-K6 PolarHBondContact O-N 3.25Å; K6-M10 PolarHBondContact O-N 3.17Å; K6-M10 VanDerWaalsContact O-N 3.08Å |
| 7 | K | 61.6 | Low | 65.2 | Low | 152 Ų | 152 | 136.1 Ų | 136.1 | 66% | 0.661 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.2 | -36.1 | -178.5 | -143.6 | 177.4 | -173.3 | -178.2 | 0 | 112.4 | I4 K5 M10 L11 | I4-K7 PolarHBondContact O-N 3.01Å; K5-K7 VanDerWaalsContact C-N 3.34Å; K5-K7 PolarHBondContact O-N 2.92Å; K7-M10 PolarHBondContact O-N 3.49Å; K7-L11 PolarHBondContact O-N 3.13Å; K7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | M | 63.9 | Low | 65.8 | Low | 149 Ų | 149 | 131.8 Ų | 131.8 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73 | -33.6 | 177.1 | -164.4 | 176.9 | 162.1 | 0 | 0 | 112.3 | I4 K5 K12 | I4-M8 PolarHBondContact O-N 3.38Å; K5-M8 PolarHBondContact O-N 3.39Å; M8-K12 PolarHBondContact O-N 2.85Å |
| 9 | Q | 61.5 | Low | 66.3 | Low | 149 Ų | 149 | 129 Ų | 129 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.6 | -39.5 | 170.5 | -114.2 | 176.5 | -19 | 0 | 0 | 112.2 | K5 K12 L13 | K5-Q9 PolarHBondContact O-N 3.42Å; Q9-K12 PolarHBondContact O-N 3.46Å; Q9-L13 PolarHBondContact O-N 3.05Å; Q9-L13 VanDerWaalsContact O-N 3.14Å |
| 10 | M | 68.4 | Low | 66.8 | Low | 120 Ų | 120 | 127.4 Ų | 127.4 | 59% | 0.591 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.5 | -45.4 | 173.6 | -95 | -145.7 | -72.9 | 0 | 0 | 112.6 | K6 K7 K12 L13 D14 | K6-M10 PolarHBondContact O-N 3.17Å; K6-M10 VanDerWaalsContact O-N 3.08Å; K7-M10 PolarHBondContact O-N 3.49Å; M10-K12 VanDerWaalsContact C-N 3.27Å; M10-K12 PolarHBondContact O-N 3.26Å; M10-L13 WeakPolarHBondContact O-CB 3.45Å; M10-L13 PolarHBondContact O-N 3.49Å; M10-D14 PolarHBondContact O-N 3.03Å |
| 11 | L | 65.7 | Low | 67.3 | Low | 117 Ų | 117 | 131 Ų | 131 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.6 | -31 | 179.5 | -84.4 | 160.6 | 0 | 0 | 0 | 113.5 | K7 K15 | K7-L11 PolarHBondContact O-N 3.13Å; K7-L11 VanDerWaalsContact O-N 3.08Å; L11-K15 PolarHBondContact O-N 3.34Å; L11-K15 VanDerWaalsContact O-N 3.14Å |
| 12 | K | 69.1 | Low | 68.2 | Low | 138 Ų | 138 | 122.4 Ų | 122.4 | 60% | 0.6 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.2 | -41.7 | 175.7 | -157.9 | -174.1 | 178.2 | -161.6 | 0 | 111.3 | M8 Q9 M10 D14 K15 E16 | M8-K12 PolarHBondContact O-N 2.85Å; Q9-K12 PolarHBondContact O-N 3.46Å; M10-K12 VanDerWaalsContact C-N 3.27Å; M10-K12 PolarHBondContact O-N 3.26Å; K12-D14 VanDerWaalsContact C-N 3.34Å; K12-K15 PolarHBondContact O-N 2.9Å; K12-E16 PolarHBondContact O-N 3.16Å |
| 13 | L | 74.4 | Confident | 69.2 | Low | 97 Ų | 97 | 119.5 Ų | 119.5 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.4 | -39.5 | 174.5 | -162.2 | 81.3 | 0 | 0 | 0 | 111.6 | Q9 M10 K15 E16 N17 | Q9-L13 PolarHBondContact O-N 3.05Å; Q9-L13 VanDerWaalsContact O-N 3.14Å; M10-L13 WeakPolarHBondContact O-CB 3.45Å; M10-L13 PolarHBondContact O-N 3.49Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.32Å; L13-E16 PolarHBondContact O-N 2.91Å; L13-N17 WeakPolarHBondContact O-CB 3.48Å; L13-N17 PolarHBondContact O-N 3.46Å; L13-N17 PolarHBondContact O-ND2 2.89Å |
| 14 | D | 71.9 | Confident | 70.2 | Confident | 92 Ų | 92 | 120.6 Ų | 120.6 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.1 | -35.7 | 176.3 | -76.7 | -21.5 | 0 | 0 | 0 | 112.2 | M10 K12 A18 | M10-D14 PolarHBondContact O-N 3.03Å; K12-D14 VanDerWaalsContact C-N 3.34Å; D14-A18 VanDerWaalsContact O-CB 3.31Å; D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 3.47Å |
| 15 | K | 72.5 | Confident | 71.2 | Confident | 142 Ų | 142 | 116.7 Ų | 116.7 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.2 | -44.2 | 175.2 | -171.3 | -173 | 174.6 | -174.2 | 0 | 111.8 | L11 K12 L13 A18 I19 | L11-K15 PolarHBondContact O-N 3.34Å; L11-K15 VanDerWaalsContact O-N 3.14Å; K12-K15 PolarHBondContact O-N 2.9Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.32Å; K15-A18 PolarHBondContact O-N 3.24Å; K15-I19 HydrophobicContact CG-CD1 4.23Å; K15-I19 WeakPolarHBondContact O-CG1 3.47Å; K15-I19 PolarHBondContact O-N 3.02Å |
| 16 | E | 72.1 | Confident | 72.1 | Confident | 95 Ų | 95 | 115.2 Ų | 115.2 | 44% | 0.444 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -45.3 | 175.9 | -78.5 | 168.7 | -177.5 | 0 | 0 | 110.4 | K12 L13 A18 I19 D20 | K12-E16 PolarHBondContact O-N 3.16Å; L13-E16 PolarHBondContact O-N 2.91Å; E16-A18 VanDerWaalsContact C-N 3.29Å; E16-A18 PolarHBondContact O-N 2.97Å; E16-I19 PolarHBondContact O-N 3.37Å; E16-I19 VanDerWaalsContact O-N 3.15Å; E16-D20 PolarHBondContact O-N 3.47Å |
| 17 | N | 74.4 | Confident | 73.1 | Confident | 85 Ų | 85 | 111.9 Ų | 111.9 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.8 | -33.6 | 173.9 | -81.1 | -27.3 | 0 | 0 | 0 | 113.9 | L13 R21 | L13-N17 WeakPolarHBondContact O-CB 3.48Å; L13-N17 PolarHBondContact O-N 3.46Å; L13-N17 PolarHBondContact O-ND2 2.89Å; N17-R21 WeakPolarHBondContact O-CB 3.49Å; N17-R21 PolarHBondContact O-N 3.02Å; N17-R21 VanDerWaalsContact O-N 3.08Å |
| 18 | A | 76.6 | Confident | 74 | Confident | 59 Ų | 59 | 109.2 Ų | 109.2 | 49% | 0.488 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.2 | -35.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | D14 K15 E16 A22 | D14-A18 VanDerWaalsContact O-CB 3.31Å; D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 3.47Å; K15-A18 PolarHBondContact O-N 3.24Å; E16-A18 VanDerWaalsContact C-N 3.29Å; E16-A18 PolarHBondContact O-N 2.97Å; A18-A22 WeakPolarHBondContact O-CB 3.49Å; A18-A22 PolarHBondContact O-N 2.94Å |
| 19 | I | 74.7 | Confident | 74.9 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 40% | 0.4 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.6 | -47.3 | 175.3 | -68.6 | 167.9 | 0 | 0 | 0 | 109.9 | K15 E16 R21 A22 E23 | K15-I19 HydrophobicContact CG-CD1 4.23Å; K15-I19 WeakPolarHBondContact O-CG1 3.47Å; K15-I19 PolarHBondContact O-N 3.02Å; E16-I19 PolarHBondContact O-N 3.37Å; E16-I19 VanDerWaalsContact O-N 3.15Å; I19-R21 PolarHBondContact O-N 2.9Å; I19-A22 WeakPolarHBondContact O-CA 3.49Å; I19-A22 WeakPolarHBondContact O-CB 3.4Å; I19-A22 PolarHBondContact O-N 3.42Å; I19-E23 HydrophobicContact CG2-CG 4.44Å; I19-E23 PolarHBondContact O-N 2.94Å |
| 20 | D | 75.4 | Confident | 75.9 | Confident | 97 Ų | 97 | 107.6 Ų | 107.6 | 52% | 0.519 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 176.6 | -72.5 | -10.4 | 0 | 0 | 0 | 111.5 | E16 Q24 | E16-D20 PolarHBondContact O-N 3.47Å; D20-Q24 WeakPolarHBondContact O-CB 3.45Å; D20-Q24 PolarHBondContact O-N 3.5Å |
| 21 | R | 77.5 | Confident | 76.5 | Confident | 203 Ų | 203 | 103.7 Ų | 103.7 | 77% | 0.766 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -37.2 | 172.1 | -94.9 | -177.9 | 170.3 | 164.2 | -1.4 | 113.4 | N17 I19 A25 | N17-R21 WeakPolarHBondContact O-CB 3.49Å; N17-R21 PolarHBondContact O-N 3.02Å; N17-R21 VanDerWaalsContact O-N 3.08Å; I19-R21 PolarHBondContact O-N 2.9Å; R21-A25 VanDerWaalsContact O-CB 3.26Å; R21-A25 WeakPolarHBondContact O-CB 3.43Å; R21-A25 PolarHBondContact O-N 3.23Å |
| 22 | A | 77.4 | Confident | 77.3 | Confident | 61 Ų | 61 | 100.9 Ų | 100.9 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | A18 I19 A25 E26 | A18-A22 WeakPolarHBondContact O-CB 3.49Å; A18-A22 PolarHBondContact O-N 2.94Å; I19-A22 WeakPolarHBondContact O-CA 3.49Å; I19-A22 WeakPolarHBondContact O-CB 3.4Å; I19-A22 PolarHBondContact O-N 3.42Å; A22-A25 PolarHBondContact O-N 2.83Å; A22-E26 PolarHBondContact O-N 3.41Å |
| 23 | E | 77.2 | Confident | 77.9 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 174.7 | -71.3 | -175 | 175.1 | 0 | 0 | 111.2 | I19 A25 E26 V27 | I19-E23 HydrophobicContact CG2-CG 4.44Å; I19-E23 PolarHBondContact O-N 2.94Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.9Å; E23-E26 PolarHBondContact O-N 3.36Å; E23-E26 VanDerWaalsContact O-N 3.16Å; E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.49Å |
| 24 | Q | 79.6 | Confident | 78.4 | Confident | 106 Ų | 106 | 97.6 Ų | 97.6 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.3 | -171.3 | 64.2 | 49.1 | 0 | 0 | 111.6 | D20 E26 V27 D28 | D20-Q24 WeakPolarHBondContact O-CB 3.45Å; D20-Q24 PolarHBondContact O-N 3.5Å; Q24-E26 VanDerWaalsContact C-N 3.3Å; Q24-E26 PolarHBondContact O-N 3.22Å; Q24-V27 PolarHBondContact O-N 2.93Å; Q24-D28 PolarHBondContact NE2-OD1 3.25Å; Q24-D28 VanDerWaalsContact NE2-OD1 3.07Å; Q24-D28 WeakPolarHBondContact O-CB 3.41Å; Q24-D28 PolarHBondContact O-N 3.03Å |
| 25 | A | 79.1 | Confident | 79 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -32.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R21 A22 E23 K29 | R21-A25 VanDerWaalsContact O-CB 3.26Å; R21-A25 WeakPolarHBondContact O-CB 3.43Å; R21-A25 PolarHBondContact O-N 3.23Å; A22-A25 PolarHBondContact O-N 2.83Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.9Å; A25-K29 WeakPolarHBondContact O-CB 3.48Å; A25-K29 PolarHBondContact O-N 3.42Å |
| 26 | E | 79.8 | Confident | 79.5 | Confident | 144 Ų | 144 | 96.3 Ų | 96.3 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.8 | -39.2 | 176.3 | -145.2 | -179.3 | -156.3 | 0 | 0 | 111.8 | A22 E23 Q24 K29 K30 | A22-E26 PolarHBondContact O-N 3.41Å; E23-E26 PolarHBondContact O-N 3.36Å; E23-E26 VanDerWaalsContact O-N 3.16Å; Q24-E26 VanDerWaalsContact C-N 3.3Å; Q24-E26 PolarHBondContact O-N 3.22Å; E26-K29 PolarHBondContact O-N 3.48Å; E26-K30 WeakPolarHBondContact O-CB 3.33Å; E26-K30 PolarHBondContact O-N 2.84Å |
| 27 | V | 81.5 | Confident | 80.2 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 56% | 0.564 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | E23 Q24 K29 K30 G31 | E23-V27 WeakPolarHBondContact O-CG2 3.39Å; E23-V27 PolarHBondContact O-N 3.49Å; Q24-V27 PolarHBondContact O-N 2.93Å; V27-K29 PolarHBondContact O-N 2.85Å; V27-K30 PolarHBondContact O-N 3.3Å; V27-G31 PolarHBondContact O-N 3.34Å |
| 28 | D | 81.3 | Confident | 80.7 | Confident | 95 Ų | 95 | 99 Ų | 99 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 178.7 | -68.4 | -16.4 | 0 | 0 | 0 | 111.2 | Q24 G31 A32 | Q24-D28 PolarHBondContact NE2-OD1 3.25Å; Q24-D28 VanDerWaalsContact NE2-OD1 3.07Å; Q24-D28 WeakPolarHBondContact O-CB 3.41Å; Q24-D28 PolarHBondContact O-N 3.03Å; D28-G31 PolarHBondContact O-N 3.49Å; D28-A32 WeakPolarHBondContact O-CB 3.36Å; D28-A32 PolarHBondContact O-N 3.33Å |
| 29 | K | 83.4 | Confident | 81 | Confident | 127 Ų | 127 | 101.4 Ų | 101.4 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -48 | 173.8 | 178.2 | -175.7 | 168.3 | -173.4 | 0 | 111.1 | A25 E26 V27 G31 A32 E33 | A25-K29 WeakPolarHBondContact O-CB 3.48Å; A25-K29 PolarHBondContact O-N 3.42Å; E26-K29 PolarHBondContact O-N 3.48Å; V27-K29 PolarHBondContact O-N 2.85Å; K29-G31 VanDerWaalsContact C-N 3.35Å; K29-G31 PolarHBondContact O-N 2.9Å; K29-A32 PolarHBondContact O-N 3.36Å; K29-E33 WeakPolarHBondContact CE-OE1 3.29Å; K29-E33 IonicContact NZ-OE1 3.05Å; K29-E33 WeakPolarHBondContact O-CG 3.41Å; K29-E33 PolarHBondContact O-N 2.78Å |
| 30 | K | 81.9 | Confident | 81.4 | Confident | 137 Ų | 137 | 103.4 Ų | 103.4 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 179.6 | -167 | 174.7 | -178.6 | 179 | 0 | 111.6 | E26 V27 A32 E33 D34 | E26-K30 WeakPolarHBondContact O-CB 3.33Å; E26-K30 PolarHBondContact O-N 2.84Å; V27-K30 PolarHBondContact O-N 3.3Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.88Å; K30-E33 PolarHBondContact O-N 3.35Å; K30-D34 PolarHBondContact O-N 3.03Å |
| 31 | G | 82.1 | Confident | 81.9 | Confident | 39 Ų | 39 | 105.8 Ų | 105.8 | 40% | 0.402 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V27 D28 K29 K35 | V27-G31 PolarHBondContact O-N 3.34Å; D28-G31 PolarHBondContact O-N 3.49Å; K29-G31 VanDerWaalsContact C-N 3.35Å; K29-G31 PolarHBondContact O-N 2.9Å; G31-K35 WeakPolarHBondContact O-CB 3.29Å; G31-K35 PolarHBondContact O-N 3.42Å |
| 32 | A | 81.1 | Confident | 82.4 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D28 K29 K30 K35 C36 | D28-A32 WeakPolarHBondContact O-CB 3.36Å; D28-A32 PolarHBondContact O-N 3.33Å; K29-A32 PolarHBondContact O-N 3.36Å; K30-A32 VanDerWaalsContact C-N 3.33Å; K30-A32 PolarHBondContact O-N 2.88Å; A32-K35 PolarHBondContact O-N 2.94Å; A32-C36 WeakPolarHBondContact O-CB 3.36Å; A32-C36 PolarHBondContact O-N 3.2Å |
| 33 | E | 82.5 | Confident | 82.8 | Confident | 90 Ų | 90 | 103.9 Ų | 103.9 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.9 | -76 | 178.1 | 176 | 0 | 0 | 111.6 | K29 K30 C36 K37 | K29-E33 WeakPolarHBondContact CE-OE1 3.29Å; K29-E33 IonicContact NZ-OE1 3.05Å; K29-E33 WeakPolarHBondContact O-CG 3.41Å; K29-E33 PolarHBondContact O-N 2.78Å; K30-E33 PolarHBondContact O-N 3.35Å; E33-C36 PolarHBondContact O-N 3.13Å; E33-K37 WeakPolarHBondContact O-CG 3.36Å; E33-K37 PolarHBondContact O-N 3.12Å |
| 34 | D | 84.4 | Confident | 83.4 | Confident | 76 Ų | 76 | 104.2 Ų | 104.2 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.5 | -71.6 | -22.6 | 0 | 0 | 0 | 111.7 | K30 K37 Q38 | K30-D34 PolarHBondContact O-N 3.03Å; D34-K37 PolarHBondContact O-N 3.07Å; D34-Q38 WeakPolarHBondContact O-CG 3.49Å; D34-Q38 PolarHBondContact O-N 3.47Å |
| 35 | K | 83.8 | Confident | 83.8 | Confident | 143 Ų | 143 | 100.7 Ų | 100.7 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 170.3 | -106.7 | 176.3 | 177.5 | 172.3 | 0 | 112.6 | G31 A32 K37 Q38 L39 | G31-K35 WeakPolarHBondContact O-CB 3.29Å; G31-K35 PolarHBondContact O-N 3.42Å; A32-K35 PolarHBondContact O-N 2.94Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K35-Q38 PolarHBondContact O-N 3.04Å; K35-L39 WeakPolarHBondContact O-CB 3.36Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.28Å |
| 36 | C | 84.8 | Confident | 84.2 | Confident | 64 Ų | 64 | 103.3 Ų | 103.3 | 43% | 0.432 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.2 | -158.7 | 0 | 0 | 0 | 0 | 110.3 | A32 E33 L39 E40 | A32-C36 WeakPolarHBondContact O-CB 3.36Å; A32-C36 PolarHBondContact O-N 3.2Å; E33-C36 PolarHBondContact O-N 3.13Å; C36-L39 PolarHBondContact O-N 2.87Å; C36-E40 WeakPolarHBondContact O-CB 3.48Å; C36-E40 VanDerWaalsContact O-CG 3.32Å; C36-E40 WeakPolarHBondContact O-CG 3.35Å; C36-E40 PolarHBondContact O-N 3.31Å |
| 37 | K | 84.9 | Confident | 84.6 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 173.9 | -74.3 | 176 | -176.6 | 168 | 0 | 112.9 | E33 D34 K35 L39 E40 E41 | E33-K37 WeakPolarHBondContact O-CG 3.36Å; E33-K37 PolarHBondContact O-N 3.12Å; D34-K37 PolarHBondContact O-N 3.07Å; K35-K37 VanDerWaalsContact C-N 3.33Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 2.94Å; K37-E40 PolarHBondContact O-N 2.97Å; K37-E41 WeakPolarHBondContact O-CG 3.21Å; K37-E41 PolarHBondContact O-N 3.29Å |
| 38 | Q | 85.2 | Confident | 85 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 175.9 | -77 | 179.4 | -9.7 | 0 | 0 | 111.7 | D34 K35 E41 E42 | D34-Q38 WeakPolarHBondContact O-CG 3.49Å; D34-Q38 PolarHBondContact O-N 3.47Å; K35-Q38 PolarHBondContact O-N 3.04Å; Q38-E41 PolarHBondContact O-N 2.85Å; Q38-E42 WeakPolarHBondContact O-CB 3.44Å; Q38-E42 WeakPolarHBondContact O-CG 3.49Å; Q38-E42 PolarHBondContact O-N 3.36Å |
| 39 | L | 83.6 | Confident | 85.4 | Confident | 109 Ų | 109 | 108.3 Ų | 108.3 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.2 | -36.3 | 177.2 | -72.7 | 171.3 | 0 | 0 | 0 | 112.6 | K35 C36 K37 E42 L43 | K35-L39 WeakPolarHBondContact O-CB 3.36Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.28Å; C36-L39 PolarHBondContact O-N 2.87Å; K37-L39 VanDerWaalsContact C-N 3.33Å; K37-L39 PolarHBondContact O-N 2.94Å; L39-E42 PolarHBondContact O-N 2.8Å; L39-L43 VanDerWaalsContact O-CB 3.22Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.02Å |
| 40 | E | 83.9 | Confident | 85.7 | Confident | 121 Ų | 121 | 107 Ų | 107 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 174.1 | -78.1 | 174 | -175.7 | 0 | 0 | 111.6 | C36 K37 L43 L44 | C36-E40 WeakPolarHBondContact O-CB 3.48Å; C36-E40 VanDerWaalsContact O-CG 3.32Å; C36-E40 WeakPolarHBondContact O-CG 3.35Å; C36-E40 PolarHBondContact O-N 3.31Å; K37-E40 PolarHBondContact O-N 2.97Å; E40-L43 PolarHBondContact O-N 2.9Å; E40-L44 WeakPolarHBondContact O-CB 3.43Å; E40-L44 PolarHBondContact O-N 3.18Å |
| 41 | E | 86 | Confident | 86.2 | Confident | 147 Ų | 147 | 106.6 Ų | 106.6 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 174.1 | -75.4 | -176.7 | 175.6 | 0 | 0 | 112 | K37 Q38 L44 G45 | K37-E41 WeakPolarHBondContact O-CG 3.21Å; K37-E41 PolarHBondContact O-N 3.29Å; Q38-E41 PolarHBondContact O-N 2.85Å; E41-L44 PolarHBondContact O-N 2.75Å; E41-G45 PolarHBondContact O-N 2.95Å |
| 42 | E | 86.8 | Confident | 86.6 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 174.1 | -77.8 | -177.8 | 179.8 | 0 | 0 | 112 | Q38 L39 L44 G45 L46 | Q38-E42 WeakPolarHBondContact O-CB 3.44Å; Q38-E42 WeakPolarHBondContact O-CG 3.49Å; Q38-E42 PolarHBondContact O-N 3.36Å; L39-E42 PolarHBondContact O-N 2.8Å; E42-L44 VanDerWaalsContact C-N 3.33Å; E42-L44 PolarHBondContact O-N 3.08Å; E42-G45 PolarHBondContact O-N 3.47Å; E42-L46 WeakPolarHBondContact O-CB 3.43Å; E42-L46 WeakPolarHBondContact O-CG 3.49Å; E42-L46 PolarHBondContact O-N 3.47Å |
| 43 | L | 86.9 | Confident | 87 | Confident | 102 Ų | 102 | 107.6 Ų | 107.6 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 175.9 | -170.9 | 90.7 | 0 | 0 | 0 | 110.6 | L39 E40 G45 L46 Q47 | L39-L43 VanDerWaalsContact O-CB 3.22Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.02Å; E40-L43 PolarHBondContact O-N 2.9Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 2.85Å; L43-L46 PolarHBondContact O-N 3.39Å; L43-Q47 WeakPolarHBondContact O-CB 3.45Å; L43-Q47 WeakPolarHBondContact O-CG 3.36Å; L43-Q47 PolarHBondContact O-N 3.43Å |
| 44 | L | 88.2 | Confident | 87.3 | Confident | 122 Ų | 122 | 108 Ų | 108 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 177.7 | -160.9 | 113.9 | 0 | 0 | 0 | 111.4 | E40 E41 E42 K48 | E40-L44 WeakPolarHBondContact O-CB 3.43Å; E40-L44 PolarHBondContact O-N 3.18Å; E41-L44 PolarHBondContact O-N 2.75Å; E42-L44 VanDerWaalsContact C-N 3.33Å; E42-L44 PolarHBondContact O-N 3.08Å; L44-K48 WeakPolarHBondContact O-CB 3.42Å; L44-K48 PolarHBondContact O-N 3.07Å |
| 45 | G | 88.7 | Confident | 87.7 | Confident | 33 Ų | 33 | 108.1 Ų | 108.1 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | E41 E42 L43 K48 K49 | E41-G45 PolarHBondContact O-N 2.95Å; E42-G45 PolarHBondContact O-N 3.47Å; L43-G45 VanDerWaalsContact C-N 3.34Å; L43-G45 PolarHBondContact O-N 2.85Å; G45-K48 PolarHBondContact O-N 3.04Å; G45-K49 WeakPolarHBondContact O-CG 3.49Å; G45-K49 PolarHBondContact O-N 2.97Å |
| 46 | L | 87.3 | Confident | 88.1 | Confident | 111 Ų | 111 | 106.5 Ų | 106.5 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 176.2 | -74.8 | 171.2 | 0 | 0 | 0 | 112 | E42 L43 K48 K49 L50 | E42-L46 WeakPolarHBondContact O-CB 3.43Å; E42-L46 WeakPolarHBondContact O-CG 3.49Å; E42-L46 PolarHBondContact O-N 3.47Å; L43-L46 PolarHBondContact O-N 3.39Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.12Å; L46-K49 PolarHBondContact O-N 3.43Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 PolarHBondContact O-N 2.86Å |
| 47 | Q | 87.6 | Confident | 88.5 | Confident | 113 Ų | 113 | 108.5 Ų | 108.5 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 173.6 | -78 | 179.4 | -12.6 | 0 | 0 | 111.7 | L43 L50 K51 | L43-Q47 WeakPolarHBondContact O-CB 3.45Å; L43-Q47 WeakPolarHBondContact O-CG 3.36Å; L43-Q47 PolarHBondContact O-N 3.43Å; Q47-L50 PolarHBondContact O-N 2.84Å; Q47-K51 WeakPolarHBondContact O-CB 3.44Å; Q47-K51 PolarHBondContact O-N 3.32Å |
| 48 | K | 90.8 | Very high | 88.9 | Confident | 170 Ų | 170 | 107.6 Ų | 107.6 | 74% | 0.739 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 175.8 | -169 | 177 | -179.9 | -179.3 | 0 | 112.2 | L44 G45 L46 G52 | L44-K48 WeakPolarHBondContact O-CB 3.42Å; L44-K48 PolarHBondContact O-N 3.07Å; G45-K48 PolarHBondContact O-N 3.04Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.12Å; K48-G52 PolarHBondContact O-N 3.4Å |
| 49 | K | 90.5 | Very high | 89.3 | Confident | 154 Ų | 154 | 108.2 Ų | 108.2 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.9 | -43.9 | 173.6 | -77.5 | -178 | -174.2 | 178.8 | 0 | 111.9 | G45 L46 K51 G52 V53 | G45-K49 WeakPolarHBondContact O-CG 3.49Å; G45-K49 PolarHBondContact O-N 2.97Å; L46-K49 PolarHBondContact O-N 3.43Å; K49-K51 VanDerWaalsContact C-N 3.34Å; K49-K51 PolarHBondContact O-N 3.1Å; K49-G52 PolarHBondContact O-N 2.97Å; K49-V53 WeakPolarHBondContact O-CG2 3.42Å; K49-V53 PolarHBondContact O-N 3.14Å |
| 50 | L | 89.8 | Confident | 89.8 | Confident | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 177 | -178.4 | 67.4 | 0 | 0 | 0 | 110.2 | L46 Q47 G52 V53 E54 | L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 PolarHBondContact O-N 2.86Å; Q47-L50 PolarHBondContact O-N 2.84Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 2.83Å; L50-V53 PolarHBondContact O-N 2.84Å; L50-V53 VanDerWaalsContact O-N 3.11Å; L50-E54 WeakPolarHBondContact O-CG 3.25Å; L50-E54 PolarHBondContact O-N 3.16Å |
| 51 | K | 90.8 | Very high | 90.2 | Very high | 129 Ų | 129 | 108.1 Ų | 108.1 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.9 | -40.5 | 176.4 | -170.8 | 173.6 | -177.3 | 176.2 | 0 | 112.7 | Q47 K49 V53 E54 D55 | Q47-K51 WeakPolarHBondContact O-CB 3.44Å; Q47-K51 PolarHBondContact O-N 3.32Å; K49-K51 VanDerWaalsContact C-N 3.34Å; K49-K51 PolarHBondContact O-N 3.1Å; K51-V53 VanDerWaalsContact C-N 3.34Å; K51-V53 PolarHBondContact O-N 3.08Å; K51-E54 PolarHBondContact O-N 3.41Å; K51-D55 WeakPolarHBondContact O-CB 3.47Å; K51-D55 VanDerWaalsContact O-CG 3.25Å; K51-D55 PolarHBondContact O-N 2.89Å |
| 52 | G | 90.6 | Very high | 90.6 | Very high | 30 Ų | 30 | 107.7 Ų | 107.7 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K48 K49 L50 E56 | K48-G52 PolarHBondContact O-N 3.4Å; K49-G52 PolarHBondContact O-N 2.97Å; L50-G52 VanDerWaalsContact C-N 3.31Å; L50-G52 PolarHBondContact O-N 2.83Å; G52-E56 WeakPolarHBondContact O-CB 3.46Å; G52-E56 WeakPolarHBondContact O-CG 3.47Å; G52-E56 PolarHBondContact O-N 3.05Å |
| 53 | V | 90.4 | Very high | 91 | Very high | 88 Ų | 88 | 105.4 Ų | 105.4 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | K49 L50 K51 E56 L57 | K49-V53 WeakPolarHBondContact O-CG2 3.42Å; K49-V53 PolarHBondContact O-N 3.14Å; L50-V53 PolarHBondContact O-N 2.84Å; L50-V53 VanDerWaalsContact O-N 3.11Å; K51-V53 VanDerWaalsContact C-N 3.34Å; K51-V53 PolarHBondContact O-N 3.08Å; V53-E56 PolarHBondContact O-N 3.31Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.35Å; V53-L57 PolarHBondContact O-N 2.99Å |
| 54 | E | 89.4 | Confident | 91.3 | Very high | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 173.1 | -72.9 | 172 | 160.1 | 0 | 0 | 110.9 | L50 K51 E56 L57 D58 | L50-E54 WeakPolarHBondContact O-CG 3.25Å; L50-E54 PolarHBondContact O-N 3.16Å; K51-E54 PolarHBondContact O-N 3.41Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.81Å; E54-L57 WeakPolarHBondContact O-CB 3.42Å; E54-L57 PolarHBondContact O-N 2.89Å; E54-L57 VanDerWaalsContact O-N 3.14Å; E54-D58 PolarHBondContact O-N 3.44Å |
| 55 | D | 92.4 | Very high | 91.6 | Very high | 79 Ų | 79 | 105.5 Ų | 105.5 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -35.4 | 176.4 | -69.8 | -20.9 | 0 | 0 | 0 | 112 | K51 K59 | K51-D55 WeakPolarHBondContact O-CB 3.47Å; K51-D55 VanDerWaalsContact O-CG 3.25Å; K51-D55 PolarHBondContact O-N 2.89Å; D55-K59 WeakPolarHBondContact O-CD 3.31Å; D55-K59 VanDerWaalsContact O-CG 3.25Å; D55-K59 WeakPolarHBondContact O-CG 3.48Å; D55-K59 PolarHBondContact O-N 2.84Å |
| 56 | E | 92.6 | Very high | 91.9 | Very high | 109 Ų | 109 | 108.1 Ų | 108.1 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 173.8 | -78.3 | 177.3 | -174.8 | 0 | 0 | 112 | G52 V53 E54 D58 K59 Y60 | G52-E56 WeakPolarHBondContact O-CB 3.46Å; G52-E56 WeakPolarHBondContact O-CG 3.47Å; G52-E56 PolarHBondContact O-N 3.05Å; V53-E56 PolarHBondContact O-N 3.31Å; E54-E56 VanDerWaalsContact C-N 3.28Å; E54-E56 PolarHBondContact O-N 2.81Å; E56-D58 VanDerWaalsContact C-N 3.33Å; E56-D58 PolarHBondContact O-N 3.41Å; E56-K59 PolarHBondContact O-N 2.89Å; E56-Y60 HydrophobicContact CB-CD2 4.43Å; E56-Y60 HydrophobicContact CB-CE2 4.41Å; E56-Y60 WeakPolarHBondContact O-CB 3.46Å; E56-Y60 WeakPolarHBondContact O-CD2 3.36Å; E56-Y60 PolarHBondContact O-N 3.01Å |
| 57 | L | 92.6 | Very high | 92.2 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 177.5 | -178.5 | 65 | 0 | 0 | 0 | 111.2 | V53 E54 Y60 S61 | V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.35Å; V53-L57 PolarHBondContact O-N 2.99Å; E54-L57 WeakPolarHBondContact O-CB 3.42Å; E54-L57 PolarHBondContact O-N 2.89Å; E54-L57 VanDerWaalsContact O-N 3.14Å; L57-Y60 PolarHBondContact O-N 3.01Å; L57-S61 VanDerWaalsContact O-CB 3.27Å; L57-S61 WeakPolarHBondContact O-CB 3.45Å; L57-S61 PolarHBondContact O-N 3.48Å; L57-S61 PolarHBondContact O-OG 3.4Å |
| 58 | D | 93.6 | Very high | 92.5 | Very high | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.3 | -74.7 | -16.6 | 0 | 0 | 0 | 110.8 | E54 E56 Y60 S61 E62 | E54-D58 PolarHBondContact O-N 3.44Å; E56-D58 VanDerWaalsContact C-N 3.33Å; E56-D58 PolarHBondContact O-N 3.41Å; D58-Y60 PolarHBondContact O-N 2.9Å; D58-S61 PolarHBondContact O-N 3.43Å; D58-E62 PolarHBondContact O-N 3.13Å |
| 59 | K | 93.7 | Very high | 92.7 | Very high | 133 Ų | 133 | 101.2 Ų | 101.2 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -43.9 | 176.2 | -74.9 | 170.2 | -172.8 | 167.6 | 0 | 113 | D55 E56 S61 S63 | D55-K59 WeakPolarHBondContact O-CD 3.31Å; D55-K59 VanDerWaalsContact O-CG 3.25Å; D55-K59 WeakPolarHBondContact O-CG 3.48Å; D55-K59 PolarHBondContact O-N 2.84Å; E56-K59 PolarHBondContact O-N 2.89Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-S63 VanDerWaalsContact O-CB 3.3Å; K59-S63 WeakPolarHBondContact O-CB 3.2Å; K59-S63 PolarHBondContact O-N 3.42Å; K59-S63 PolarHBondContact O-OG 3.33Å |
| 60 | Y | 92.9 | Very high | 92.9 | Very high | 167 Ų | 167 | 100.7 Ų | 100.7 | 66% | 0.655 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.7 | -34.5 | 177.7 | -77.5 | -56.9 | 0 | 0 | 0 | 111.6 | E56 L57 D58 S63 L64 | E56-Y60 HydrophobicContact CB-CD2 4.43Å; E56-Y60 HydrophobicContact CB-CE2 4.41Å; E56-Y60 WeakPolarHBondContact O-CB 3.46Å; E56-Y60 WeakPolarHBondContact O-CD2 3.36Å; E56-Y60 PolarHBondContact O-N 3.01Å; L57-Y60 PolarHBondContact O-N 3.01Å; D58-Y60 PolarHBondContact O-N 2.9Å; Y60-S63 PolarHBondContact O-N 2.99Å; Y60-L64 WeakPolarHBondContact O-CB 3.44Å; Y60-L64 PolarHBondContact O-N 2.94Å |
| 61 | S | 92.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | L57 D58 K59 L64 K65 | L57-S61 VanDerWaalsContact O-CB 3.27Å; L57-S61 WeakPolarHBondContact O-CB 3.45Å; L57-S61 PolarHBondContact O-N 3.48Å; L57-S61 PolarHBondContact O-OG 3.4Å; D58-S61 PolarHBondContact O-N 3.43Å; K59-S61 VanDerWaalsContact C-N 3.33Å; S61-L64 PolarHBondContact O-N 3.44Å; S61-K65 PolarHBondContact O-N 2.68Å |
| 62 | E | 94.4 | Very high | 93.4 | Very high | 139 Ų | 139 | 100.8 Ų | 100.8 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 173 | -73.3 | -175.3 | 166.9 | 0 | 0 | 111.2 | D58 L64 K65 D66 | D58-E62 PolarHBondContact O-N 3.13Å; E62-L64 VanDerWaalsContact C-N 3.29Å; E62-L64 PolarHBondContact O-N 2.95Å; E62-K65 PolarHBondContact O-N 3.39Å; E62-K65 VanDerWaalsContact O-N 3.16Å; E62-D66 PolarHBondContact O-N 2.86Å |
| 63 | S | 94.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 104.8 Ų | 104.8 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 178.1 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | K59 Y60 A67 | K59-S63 VanDerWaalsContact O-CB 3.3Å; K59-S63 WeakPolarHBondContact O-CB 3.2Å; K59-S63 PolarHBondContact O-N 3.42Å; K59-S63 PolarHBondContact O-OG 3.33Å; Y60-S63 PolarHBondContact O-N 2.99Å; S63-A67 WeakPolarHBondContact O-CB 3.44Å; S63-A67 PolarHBondContact O-N 3.1Å |
| 64 | L | 94 | Very high | 93.9 | Very high | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 176.1 | 178.8 | 64.8 | 0 | 0 | 0 | 110.8 | Y60 S61 E62 A67 Q68 | Y60-L64 WeakPolarHBondContact O-CB 3.44Å; Y60-L64 PolarHBondContact O-N 2.94Å; S61-L64 PolarHBondContact O-N 3.44Å; E62-L64 VanDerWaalsContact C-N 3.29Å; E62-L64 PolarHBondContact O-N 2.95Å; L64-A67 PolarHBondContact O-N 3.46Å; L64-Q68 WeakPolarHBondContact O-CG 3.26Å; L64-Q68 PolarHBondContact O-N 2.8Å |
| 65 | K | 94.8 | Very high | 94.1 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177.8 | -170.6 | -177.2 | 174.3 | -169.6 | 0 | 111.5 | S61 E62 A67 Q68 E69 | S61-K65 PolarHBondContact O-N 2.68Å; E62-K65 PolarHBondContact O-N 3.39Å; E62-K65 VanDerWaalsContact O-N 3.16Å; K65-A67 VanDerWaalsContact C-N 3.29Å; K65-A67 PolarHBondContact O-N 3.08Å; K65-Q68 PolarHBondContact O-N 3.48Å; K65-E69 WeakPolarHBondContact CE-OE1 3.29Å; K65-E69 PolarHBondContact O-N 3.21Å |
| 66 | D | 94.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 107.1 Ų | 107.1 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.6 | -79.5 | 1.8 | 0 | 0 | 0 | 112.1 | E62 K70 | E62-D66 PolarHBondContact O-N 2.86Å; D66-K70 WeakPolarHBondContact O-CB 3.37Å; D66-K70 VanDerWaalsContact O-CG 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.42Å; D66-K70 PolarHBondContact O-N 3.37Å |
| 67 | A | 94.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S63 L64 K65 K70 L71 | S63-A67 WeakPolarHBondContact O-CB 3.44Å; S63-A67 PolarHBondContact O-N 3.1Å; L64-A67 PolarHBondContact O-N 3.46Å; K65-A67 VanDerWaalsContact C-N 3.29Å; K65-A67 PolarHBondContact O-N 3.08Å; A67-K70 PolarHBondContact O-N 2.86Å; A67-L71 WeakPolarHBondContact O-CB 3.45Å; A67-L71 PolarHBondContact O-N 3.48Å |
| 68 | Q | 93.4 | Very high | 94.6 | Very high | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 175 | -75.5 | 175 | -25.3 | 0 | 0 | 111.6 | L64 K65 K70 L71 E72 | L64-Q68 WeakPolarHBondContact O-CG 3.26Å; L64-Q68 PolarHBondContact O-N 2.8Å; K65-Q68 PolarHBondContact O-N 3.48Å; Q68-K70 VanDerWaalsContact C-N 3.31Å; Q68-K70 PolarHBondContact O-N 3.09Å; Q68-L71 WeakPolarHBondContact O-CB 3.43Å; Q68-L71 PolarHBondContact O-N 3.26Å; Q68-L71 VanDerWaalsContact O-N 3.14Å; Q68-E72 PolarHBondContact O-N 2.92Å |
| 69 | E | 95.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -39.8 | 176.6 | -72.1 | -177.6 | -170 | 0 | 0 | 111.8 | K65 Q73 | K65-E69 WeakPolarHBondContact CE-OE1 3.29Å; K65-E69 PolarHBondContact O-N 3.21Å; E69-Q73 VanDerWaalsContact O-CG 3.29Å; E69-Q73 WeakPolarHBondContact O-CG 3.35Å; E69-Q73 PolarHBondContact O-N 2.97Å; E69-Q73 VanDerWaalsContact O-N 3.1Å |
| 70 | K | 95.3 | Very high | 94.8 | Very high | 143 Ų | 143 | 101.8 Ų | 101.8 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -38.2 | 174.1 | -75.9 | 173.6 | -174.7 | 167.8 | 0 | 112.5 | D66 A67 Q68 Q73 A74 | D66-K70 WeakPolarHBondContact O-CB 3.37Å; D66-K70 VanDerWaalsContact O-CG 3.3Å; D66-K70 WeakPolarHBondContact O-CG 3.42Å; D66-K70 PolarHBondContact O-N 3.37Å; A67-K70 PolarHBondContact O-N 2.86Å; Q68-K70 VanDerWaalsContact C-N 3.31Å; Q68-K70 PolarHBondContact O-N 3.09Å; K70-Q73 PolarHBondContact O-N 2.88Å; K70-A74 WeakPolarHBondContact O-CB 3.17Å; K70-A74 PolarHBondContact O-N 3.42Å |
| 71 | L | 94.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 176.8 | 179.6 | 63.2 | 0 | 0 | 0 | 110.6 | A67 Q68 Q73 A74 E75 | A67-L71 WeakPolarHBondContact O-CB 3.45Å; A67-L71 PolarHBondContact O-N 3.48Å; Q68-L71 WeakPolarHBondContact O-CB 3.43Å; Q68-L71 PolarHBondContact O-N 3.26Å; Q68-L71 VanDerWaalsContact O-N 3.14Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.48Å; L71-A74 WeakPolarHBondContact O-CB 3.4Å; L71-A74 PolarHBondContact O-N 3.05Å; L71-E75 HydrophobicContact CD1-CG 4.23Å; L71-E75 HydrophobicContact CG-CG 4.4Å; L71-E75 WeakPolarHBondContact O-CG 3.16Å; L71-E75 PolarHBondContact O-N 3.19Å |
| 72 | E | 95.3 | Very high | 95.1 | Very high | 134 Ų | 134 | 100 Ų | 100 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.2 | -40.3 | 177.6 | -73.5 | -176.1 | 177.8 | 0 | 0 | 112 | Q68 E75 K76 | Q68-E72 PolarHBondContact O-N 2.92Å; E72-E75 PolarHBondContact O-N 3.35Å; E72-K76 WeakPolarHBondContact O-CB 3.39Å; E72-K76 PolarHBondContact O-N 3.41Å |
| 73 | Q | 95.5 | Very high | 95.2 | Very high | 114 Ų | 114 | 96.4 Ų | 96.4 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 175 | -72.9 | 177.1 | 25.1 | 0 | 0 | 112.6 | E69 K70 L71 K77 | E69-Q73 VanDerWaalsContact O-CG 3.29Å; E69-Q73 WeakPolarHBondContact O-CG 3.35Å; E69-Q73 PolarHBondContact O-N 2.97Å; E69-Q73 VanDerWaalsContact O-N 3.1Å; K70-Q73 PolarHBondContact O-N 2.88Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.48Å; Q73-K77 WeakPolarHBondContact O-CG 3.48Å; Q73-K77 PolarHBondContact O-N 3.19Å; Q73-K77 VanDerWaalsContact O-N 3.11Å |
| 74 | A | 95.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.5 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K70 L71 K77 A78 | K70-A74 WeakPolarHBondContact O-CB 3.17Å; K70-A74 PolarHBondContact O-N 3.42Å; L71-A74 WeakPolarHBondContact O-CB 3.4Å; L71-A74 PolarHBondContact O-N 3.05Å; A74-K77 PolarHBondContact O-N 2.95Å; A74-A78 WeakPolarHBondContact O-CB 3.42Å; A74-A78 PolarHBondContact O-N 3.26Å |
| 75 | E | 94.8 | Very high | 95.4 | Very high | 117 Ų | 117 | 98.4 Ų | 98.4 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.8 | -73.4 | -179.6 | 164 | 0 | 0 | 111.4 | L71 E72 K77 A78 A79 | L71-E75 HydrophobicContact CD1-CG 4.23Å; L71-E75 HydrophobicContact CG-CG 4.4Å; L71-E75 WeakPolarHBondContact O-CG 3.16Å; L71-E75 PolarHBondContact O-N 3.19Å; E72-E75 PolarHBondContact O-N 3.35Å; E75-K77 PolarHBondContact O-N 3.29Å; E75-A78 PolarHBondContact O-N 3.38Å; E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 3.37Å |
| 76 | K | 96.3 | Very high | 95.5 | Very high | 141 Ų | 141 | 94.9 Ų | 94.9 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 175.4 | -173.6 | 177.8 | 178.8 | -179.4 | 0 | 111.9 | E72 A78 A79 D80 | E72-K76 WeakPolarHBondContact O-CB 3.39Å; E72-K76 PolarHBondContact O-N 3.41Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 2.93Å; K76-A79 PolarHBondContact O-N 2.91Å; K76-D80 VanDerWaalsContact O-CG 3.3Å; K76-D80 PolarHBondContact O-N 2.96Å |
| 77 | K | 95.8 | Very high | 95.6 | Very high | 145 Ų | 145 | 94.4 Ų | 94.4 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 176.8 | -75.8 | 176.7 | -178.1 | 177.6 | 0 | 112.3 | Q73 A74 E75 A81 | Q73-K77 WeakPolarHBondContact O-CG 3.48Å; Q73-K77 PolarHBondContact O-N 3.19Å; Q73-K77 VanDerWaalsContact O-N 3.11Å; A74-K77 PolarHBondContact O-N 2.95Å; E75-K77 PolarHBondContact O-N 3.29Å; K77-A81 WeakPolarHBondContact O-CB 3.46Å; K77-A81 PolarHBondContact O-N 3.42Å |
| 78 | A | 95.5 | Very high | 95.8 | Very high | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A74 E75 K76 D80 A81 E82 | A74-A78 WeakPolarHBondContact O-CB 3.42Å; A74-A78 PolarHBondContact O-N 3.26Å; E75-A78 PolarHBondContact O-N 3.38Å; K76-A78 VanDerWaalsContact C-N 3.32Å; K76-A78 PolarHBondContact O-N 2.93Å; A78-D80 PolarHBondContact O-N 3.18Å; A78-A81 PolarHBondContact O-N 3.16Å; A78-E82 WeakPolarHBondContact O-CB 3.41Å; A78-E82 WeakPolarHBondContact O-CG 3.43Å; A78-E82 PolarHBondContact O-N 3.04Å |
| 79 | A | 95.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 95.4 Ų | 95.4 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E75 K76 E82 A83 | E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 3.37Å; K76-A79 PolarHBondContact O-N 2.91Å; A79-E82 PolarHBondContact O-N 3.05Å; A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 3.27Å |
| 80 | D | 95.8 | Very high | 96 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.8 | -69.7 | -22.8 | 0 | 0 | 0 | 111 | K76 A78 A83 E84 | K76-D80 VanDerWaalsContact O-CG 3.3Å; K76-D80 PolarHBondContact O-N 2.96Å; A78-D80 PolarHBondContact O-N 3.18Å; D80-A83 PolarHBondContact O-N 3.24Å; D80-E84 PolarHBondContact O-N 2.98Å |
| 81 | A | 95.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 101.4 Ų | 101.4 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K77 A78 A83 E84 V85 | K77-A81 WeakPolarHBondContact O-CB 3.46Å; K77-A81 PolarHBondContact O-N 3.42Å; A78-A81 PolarHBondContact O-N 3.16Å; A81-A83 VanDerWaalsContact C-N 3.32Å; A81-A83 PolarHBondContact O-N 2.81Å; A81-E84 PolarHBondContact O-N 2.8Å; A81-V85 WeakPolarHBondContact O-CG2 3.32Å; A81-V85 PolarHBondContact O-N 3.14Å |
| 82 | E | 95.6 | Very high | 96.2 | Very high | 143 Ų | 143 | 100.8 Ų | 100.8 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -39.8 | 174.6 | -76.3 | -179.7 | 177.6 | 0 | 0 | 111.5 | A78 A79 V85 A86 | A78-E82 WeakPolarHBondContact O-CB 3.41Å; A78-E82 WeakPolarHBondContact O-CG 3.43Å; A78-E82 PolarHBondContact O-N 3.04Å; A79-E82 PolarHBondContact O-N 3.05Å; E82-V85 PolarHBondContact O-N 3.27Å; E82-A86 WeakPolarHBondContact O-CB 3.43Å; E82-A86 PolarHBondContact O-N 2.91Å |
| 83 | A | 96.3 | Very high | 96.3 | Very high | 63 Ų | 63 | 100 Ų | 100 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A79 D80 A81 A86 S87 | A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 3.27Å; D80-A83 PolarHBondContact O-N 3.24Å; A81-A83 VanDerWaalsContact C-N 3.32Å; A81-A83 PolarHBondContact O-N 2.81Å; A83-A86 PolarHBondContact O-N 3.06Å; A83-S87 PolarHBondContact O-N 3.21Å |
| 84 | E | 96.7 | Very high | 96.4 | Very high | 133 Ų | 133 | 99.4 Ų | 99.4 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -45.7 | 174.8 | -75.3 | -176.2 | 179.6 | 0 | 0 | 112 | D80 A81 A86 S87 L88 | D80-E84 PolarHBondContact O-N 2.98Å; A81-E84 PolarHBondContact O-N 2.8Å; E84-A86 VanDerWaalsContact C-N 3.32Å; E84-A86 PolarHBondContact O-N 3.19Å; E84-S87 WeakPolarHBondContact O-CB 3.34Å; E84-S87 PolarHBondContact O-N 3.45Å; E84-S87 VanDerWaalsContact O-N 3.16Å; E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 3.32Å |
| 85 | V | 97.1 | Very high | 96.5 | Very high | 83 Ų | 83 | 100.6 Ų | 100.6 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 176.1 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | A81 E82 S87 L88 N89 | A81-V85 WeakPolarHBondContact O-CG2 3.32Å; A81-V85 PolarHBondContact O-N 3.14Å; E82-V85 PolarHBondContact O-N 3.27Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 2.86Å; V85-L88 PolarHBondContact O-N 2.91Å; V85-N89 WeakPolarHBondContact O-CB 3.47Å; V85-N89 PolarHBondContact O-N 2.96Å; V85-N89 PolarHBondContact O-ND2 3.49Å |
| 86 | A | 96.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 100.1 Ų | 100.1 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E82 A83 E84 R90 | E82-A86 WeakPolarHBondContact O-CB 3.43Å; E82-A86 PolarHBondContact O-N 2.91Å; A83-A86 PolarHBondContact O-N 3.06Å; E84-A86 VanDerWaalsContact C-N 3.32Å; E84-A86 PolarHBondContact O-N 3.19Å; A86-R90 PolarHBondContact O-N 3.42Å |
| 87 | S | 97.5 | Very high | 96.7 | Very high | 78 Ų | 78 | 98.2 Ų | 98.2 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -43.6 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | A83 E84 V85 R90 R91 | A83-S87 PolarHBondContact O-N 3.21Å; E84-S87 WeakPolarHBondContact O-CB 3.34Å; E84-S87 PolarHBondContact O-N 3.45Å; E84-S87 VanDerWaalsContact O-N 3.16Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-S87 PolarHBondContact O-N 2.86Å; S87-R90 PolarHBondContact O-N 3.45Å; S87-R91 PolarHBondContact O-N 2.98Å |
| 88 | L | 97.3 | Very high | 96.8 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.6 | -72.8 | 173.5 | 0 | 0 | 0 | 111.6 | E84 V85 R90 R91 I92 | E84-L88 WeakPolarHBondContact O-CG 3.46Å; E84-L88 PolarHBondContact O-N 3.32Å; V85-L88 PolarHBondContact O-N 2.91Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.44Å; L88-R91 CarbonylContact O-C 3.6Å; L88-R91 WeakPolarHBondContact O-CB 3.45Å; L88-R91 PolarHBondContact O-N 3.46Å; L88-R91 VanDerWaalsContact O-N 3.09Å; L88-I92 WeakPolarHBondContact O-CG1 3.35Å; L88-I92 PolarHBondContact O-N 3.26Å |
| 89 | N | 96.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 99.9 Ų | 99.9 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 175.4 | -78 | -31.3 | 0 | 0 | 0 | 112.2 | V85 R91 I92 Q93 | V85-N89 WeakPolarHBondContact O-CB 3.47Å; V85-N89 PolarHBondContact O-N 2.96Å; V85-N89 PolarHBondContact O-ND2 3.49Å; N89-R91 VanDerWaalsContact C-N 3.32Å; N89-R91 PolarHBondContact O-N 3.42Å; N89-I92 PolarHBondContact O-N 3.47Å; N89-Q93 WeakPolarHBondContact O-CG 3.39Å; N89-Q93 PolarHBondContact O-N 3.27Å; N89-Q93 VanDerWaalsContact O-N 3.12Å |
| 90 | R | 96.8 | Very high | 97 | Very high | 183 Ų | 183 | 101.8 Ų | 101.8 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -40.5 | 172.5 | -73.5 | 179.1 | -179.2 | 172.1 | 2.5 | 112 | A86 S87 L88 Q93 L94 | A86-R90 PolarHBondContact O-N 3.42Å; S87-R90 PolarHBondContact O-N 3.45Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.44Å; R90-Q93 PolarHBondContact O-N 3Å; R90-L94 WeakPolarHBondContact O-CG 3.45Å; R90-L94 PolarHBondContact O-N 3.24Å; R90-L94 VanDerWaalsContact O-N 3.16Å |
| 91 | R | 97.7 | Very high | 97.1 | Very high | 175 Ų | 175 | 104.3 Ų | 104.3 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -39 | 177.7 | -173.8 | 175.6 | 176.4 | 174.3 | -1.2 | 112.1 | S87 L88 N89 L94 V95 | S87-R91 PolarHBondContact O-N 2.98Å; L88-R91 CarbonylContact O-C 3.6Å; L88-R91 WeakPolarHBondContact O-CB 3.45Å; L88-R91 PolarHBondContact O-N 3.46Å; L88-R91 VanDerWaalsContact O-N 3.09Å; N89-R91 VanDerWaalsContact C-N 3.32Å; N89-R91 PolarHBondContact O-N 3.42Å; R91-L94 PolarHBondContact O-N 2.87Å; R91-V95 WeakPolarHBondContact O-CG2 3.47Å; R91-V95 PolarHBondContact O-N 2.86Å |
| 92 | I | 97.6 | Very high | 97.2 | Very high | 84 Ų | 84 | 104.6 Ų | 104.6 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -50.1 | 175.4 | -71.8 | 167.7 | 0 | 0 | 0 | 109.9 | L88 N89 L94 V95 E96 | L88-I92 WeakPolarHBondContact O-CG1 3.35Å; L88-I92 PolarHBondContact O-N 3.26Å; N89-I92 PolarHBondContact O-N 3.47Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 3Å; I92-V95 PolarHBondContact O-N 3.47Å; I92-V95 VanDerWaalsContact O-N 3.12Å; I92-E96 HydrophobicContact CG2-CG 4.27Å; I92-E96 WeakPolarHBondContact O-CG 3.49Å; I92-E96 PolarHBondContact O-N 3.45Å |
| 93 | Q | 97.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 178.5 | -72.3 | 178 | -19.7 | 0 | 0 | 112.6 | N89 R90 V95 E96 E97 | N89-Q93 WeakPolarHBondContact O-CG 3.39Å; N89-Q93 PolarHBondContact O-N 3.27Å; N89-Q93 VanDerWaalsContact O-N 3.12Å; R90-Q93 PolarHBondContact O-N 3Å; Q93-V95 PolarHBondContact O-N 2.85Å; Q93-E96 PolarHBondContact O-N 3.14Å; Q93-E97 WeakPolarHBondContact O-CG 3.44Å; Q93-E97 PolarHBondContact O-N 3.31Å |
| 94 | L | 97.8 | Very high | 97.4 | Very high | 101 Ų | 101 | 106.4 Ų | 106.4 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 178 | -70 | 172.7 | 0 | 0 | 0 | 112.4 | R90 R91 I92 E97 E98 | R90-L94 WeakPolarHBondContact O-CG 3.45Å; R90-L94 PolarHBondContact O-N 3.24Å; R90-L94 VanDerWaalsContact O-N 3.16Å; R91-L94 PolarHBondContact O-N 2.87Å; I92-L94 VanDerWaalsContact C-N 3.32Å; I92-L94 PolarHBondContact O-N 3Å; L94-E97 PolarHBondContact O-N 3.38Å; L94-E98 WeakPolarHBondContact O-CG 3.5Å; L94-E98 PolarHBondContact O-N 3.04Å |
| 95 | V | 97.7 | Very high | 97.5 | Very high | 80 Ų | 80 | 109.3 Ų | 109.3 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R91 I92 Q93 E98 L99 | R91-V95 WeakPolarHBondContact O-CG2 3.47Å; R91-V95 PolarHBondContact O-N 2.86Å; I92-V95 PolarHBondContact O-N 3.47Å; I92-V95 VanDerWaalsContact O-N 3.12Å; Q93-V95 PolarHBondContact O-N 2.85Å; V95-E98 PolarHBondContact O-N 3.1Å; V95-L99 WeakPolarHBondContact O-CB 3.4Å; V95-L99 PolarHBondContact O-N 3.09Å |
| 96 | E | 97.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 110.2 Ų | 110.2 | 51% | 0.505 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174 | -72.8 | 174.4 | 157 | 0 | 0 | 111.1 | I92 Q93 E98 L99 D100 | I92-E96 HydrophobicContact CG2-CG 4.27Å; I92-E96 WeakPolarHBondContact O-CG 3.49Å; I92-E96 PolarHBondContact O-N 3.45Å; Q93-E96 PolarHBondContact O-N 3.14Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 3.41Å; E96-L99 WeakPolarHBondContact O-CB 3.32Å; E96-L99 PolarHBondContact O-N 3.41Å; E96-L99 VanDerWaalsContact O-N 3.17Å; E96-D100 PolarHBondContact O-N 3.41Å |
| 97 | E | 97.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 110.6 Ų | 110.6 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.4 | -74 | -176.4 | -164.1 | 0 | 0 | 112.8 | Q93 L94 R101 | Q93-E97 WeakPolarHBondContact O-CG 3.44Å; Q93-E97 PolarHBondContact O-N 3.31Å; L94-E97 PolarHBondContact O-N 3.38Å; E97-R101 VanDerWaalsContact O-CG 3.27Å; E97-R101 WeakPolarHBondContact O-CG 3.48Å; E97-R101 PolarHBondContact O-N 3.43Å; E97-R101 VanDerWaalsContact O-N 3.12Å; E97-R101 IonicContact OE2-NH2 2.65Å |
| 98 | E | 97.7 | Very high | 97.6 | Very high | 134 Ų | 134 | 110.3 Ų | 110.3 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.2 | -39 | 175 | -77.6 | -177.8 | 175.6 | 0 | 0 | 112 | L94 V95 E96 A102 | L94-E98 WeakPolarHBondContact O-CG 3.5Å; L94-E98 PolarHBondContact O-N 3.04Å; V95-E98 PolarHBondContact O-N 3.1Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 3.41Å; E98-A102 WeakPolarHBondContact O-CB 3.31Å; E98-A102 PolarHBondContact O-N 3.32Å |
| 99 | L | 97.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 108.5 Ų | 108.5 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 176.6 | 179.9 | 62.6 | 0 | 0 | 0 | 111.1 | V95 E96 R101 A102 Q103 | V95-L99 WeakPolarHBondContact O-CB 3.4Å; V95-L99 PolarHBondContact O-N 3.09Å; E96-L99 WeakPolarHBondContact O-CB 3.32Å; E96-L99 PolarHBondContact O-N 3.41Å; E96-L99 VanDerWaalsContact O-N 3.17Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 2.96Å; L99-A102 WeakPolarHBondContact O-CB 3.3Å; L99-A102 PolarHBondContact O-N 3.03Å; L99-A102 VanDerWaalsContact O-N 3.13Å; L99-Q103 HydrophobicContact CD1-CG 4.39Å; L99-Q103 WeakPolarHBondContact O-CG 3.49Å; L99-Q103 PolarHBondContact O-N 3.08Å |
| 100 | D | 97.8 | Very high | 97.7 | Very high | 91 Ų | 91 | 109.1 Ų | 109.1 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 178.2 | -72.2 | -17.2 | 0 | 0 | 0 | 110.8 | E96 A102 Q103 E104 | E96-D100 PolarHBondContact O-N 3.41Å; D100-A102 VanDerWaalsContact C-N 3.32Å; D100-A102 PolarHBondContact O-N 3.28Å; D100-Q103 PolarHBondContact O-N 3.01Å; D100-E104 PolarHBondContact O-N 3.24Å |
| 101 | R | 97.7 | Very high | 97.8 | Very high | 143 Ų | 143 | 105.8 Ų | 105.8 | 54% | 0.54 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 175.5 | -71.8 | 175.5 | -170.5 | 173.4 | 11.1 | 112.7 | E97 L99 R105 | E97-R101 VanDerWaalsContact O-CG 3.27Å; E97-R101 WeakPolarHBondContact O-CG 3.48Å; E97-R101 PolarHBondContact O-N 3.43Å; E97-R101 VanDerWaalsContact O-N 3.12Å; E97-R101 IonicContact OE2-NH2 2.65Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 2.96Å; R101-R105 VanDerWaalsContact O-CG 3.29Å; R101-R105 WeakPolarHBondContact O-CG 3.42Å; R101-R105 PolarHBondContact O-N 3.45Å |
| 102 | A | 97.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 103.9 Ų | 103.9 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E98 L99 D100 R105 L106 | E98-A102 WeakPolarHBondContact O-CB 3.31Å; E98-A102 PolarHBondContact O-N 3.32Å; L99-A102 WeakPolarHBondContact O-CB 3.3Å; L99-A102 PolarHBondContact O-N 3.03Å; L99-A102 VanDerWaalsContact O-N 3.13Å; D100-A102 VanDerWaalsContact C-N 3.32Å; D100-A102 PolarHBondContact O-N 3.28Å; A102-R105 PolarHBondContact O-N 2.7Å; A102-L106 WeakPolarHBondContact O-CB 3.34Å; A102-L106 PolarHBondContact O-N 3.1Å |
| 103 | Q | 97.8 | Very high | 97.8 | Very high | 108 Ų | 108 | 104.3 Ų | 104.3 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.7 | -73.5 | -179.6 | -8.1 | 0 | 0 | 112.2 | L99 D100 R105 L106 A107 | L99-Q103 HydrophobicContact CD1-CG 4.39Å; L99-Q103 WeakPolarHBondContact O-CG 3.49Å; L99-Q103 PolarHBondContact O-N 3.08Å; D100-Q103 PolarHBondContact O-N 3.01Å; Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 3.14Å; Q103-L106 PolarHBondContact O-N 3.39Å; Q103-A107 WeakPolarHBondContact O-CB 3.45Å; Q103-A107 PolarHBondContact O-N 2.92Å |
| 104 | E | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 103.4 Ų | 103.4 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 175.4 | -73.4 | -176.2 | 164.9 | 0 | 0 | 112.2 | D100 A107 T108 | D100-E104 PolarHBondContact O-N 3.24Å; E104-A107 PolarHBondContact O-N 2.9Å; E104-T108 PolarHBondContact O-N 3.49Å; E104-T108 PolarHBondContact O-OG1 2.91Å |
| 105 | R | 98 | Very high | 97.9 | Very high | 194 Ų | 194 | 103.8 Ų | 103.8 | 73% | 0.732 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 175.3 | -74.5 | 174.3 | 179.8 | -176.5 | 1.3 | 111.7 | R101 A102 Q103 T108 A109 | R101-R105 VanDerWaalsContact O-CG 3.29Å; R101-R105 WeakPolarHBondContact O-CG 3.42Å; R101-R105 PolarHBondContact O-N 3.45Å; A102-R105 PolarHBondContact O-N 2.7Å; Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 3.14Å; R105-T108 PolarHBondContact O-N 3.03Å; R105-A109 WeakPolarHBondContact O-CB 3.49Å; R105-A109 PolarHBondContact O-N 3.45Å |
| 106 | L | 97.8 | Very high | 97.9 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 177 | 178.7 | 62.4 | 0 | 0 | 0 | 111.2 | A102 Q103 T108 A109 L110 | A102-L106 WeakPolarHBondContact O-CB 3.34Å; A102-L106 PolarHBondContact O-N 3.1Å; Q103-L106 PolarHBondContact O-N 3.39Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.36Å; L106-A109 PolarHBondContact O-N 2.84Å; L106-A109 VanDerWaalsContact O-N 3.15Å; L106-L110 HydrophobicContact CD1-CD1 4.25Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.05Å; L106-L110 HydrophobicContact CG-CG 4.44Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.3Å |
| 107 | A | 98.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 102.7 Ų | 102.7 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q103 E104 A109 L110 Q111 | Q103-A107 WeakPolarHBondContact O-CB 3.45Å; Q103-A107 PolarHBondContact O-N 2.92Å; E104-A107 PolarHBondContact O-N 2.9Å; A107-A109 PolarHBondContact O-N 3.15Å; A107-L110 PolarHBondContact O-N 3.33Å; A107-Q111 PolarHBondContact O-N 2.9Å |
| 108 | T | 98 | Very high | 97.9 | Very high | 72 Ų | 72 | 103.5 Ų | 103.5 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.7 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | E104 R105 L106 K112 | E104-T108 PolarHBondContact O-N 3.49Å; E104-T108 PolarHBondContact O-OG1 2.91Å; R105-T108 PolarHBondContact O-N 3.03Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.36Å; T108-K112 WeakPolarHBondContact O-CG 3.46Å; T108-K112 PolarHBondContact O-N 2.92Å; T108-K112 VanDerWaalsContact O-N 3.11Å |
| 109 | A | 98.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | R105 L106 A107 K112 L113 | R105-A109 WeakPolarHBondContact O-CB 3.49Å; R105-A109 PolarHBondContact O-N 3.45Å; L106-A109 PolarHBondContact O-N 2.84Å; L106-A109 VanDerWaalsContact O-N 3.15Å; A107-A109 PolarHBondContact O-N 3.15Å; A109-K112 PolarHBondContact O-N 3.43Å; A109-L113 WeakPolarHBondContact O-CB 3.46Å; A109-L113 PolarHBondContact O-N 2.98Å |
| 110 | L | 98 | Very high | 97.9 | Very high | 99 Ų | 99 | 98 Ų | 98 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 176 | -72.1 | 172.2 | 0 | 0 | 0 | 111.7 | L106 A107 K112 L113 E114 | L106-L110 HydrophobicContact CD1-CD1 4.25Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.05Å; L106-L110 HydrophobicContact CG-CG 4.44Å; L106-L110 WeakPolarHBondContact O-CG 3.4Å; L106-L110 PolarHBondContact O-N 3.3Å; A107-L110 PolarHBondContact O-N 3.33Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 3.22Å; L110-L113 WeakPolarHBondContact O-CB 3.35Å; L110-L113 PolarHBondContact O-N 2.94Å; L110-E114 PolarHBondContact O-N 3.25Å |
| 111 | Q | 98.2 | Very high | 97.9 | Very high | 113 Ų | 113 | 98 Ų | 98 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.4 | -173.9 | -174.7 | -21.6 | 0 | 0 | 111.5 | A107 L113 E114 E115 | A107-Q111 PolarHBondContact O-N 2.9Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.04Å; Q111-E114 PolarHBondContact O-N 2.95Å; Q111-E115 PolarHBondContact NE2-OE1 3.1Å; Q111-E115 WeakPolarHBondContact O-CG 3.45Å; Q111-E115 PolarHBondContact O-N 3.35Å |
| 112 | K | 98.2 | Very high | 97.9 | Very high | 136 Ų | 136 | 97.7 Ų | 97.7 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -35.9 | 177 | -74.5 | -179.6 | 179.3 | -177.9 | 0 | 112.8 | T108 A109 L110 A116 | T108-K112 WeakPolarHBondContact O-CG 3.46Å; T108-K112 PolarHBondContact O-N 2.92Å; T108-K112 VanDerWaalsContact O-N 3.11Å; A109-K112 PolarHBondContact O-N 3.43Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 3.22Å; K112-A116 WeakPolarHBondContact O-CB 3.44Å; K112-A116 PolarHBondContact O-N 3.23Å |
| 113 | L | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 99.1 Ų | 99.1 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 175.6 | -179.3 | 64.8 | 0 | 0 | 0 | 110.5 | A109 L110 Q111 E115 A116 E117 | A109-L113 WeakPolarHBondContact O-CB 3.46Å; A109-L113 PolarHBondContact O-N 2.98Å; L110-L113 WeakPolarHBondContact O-CB 3.35Å; L110-L113 PolarHBondContact O-N 2.94Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.04Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 3.01Å; L113-A116 PolarHBondContact O-N 2.99Å; L113-A116 VanDerWaalsContact O-N 3.16Å; L113-E117 WeakPolarHBondContact O-CG 3.48Å; L113-E117 PolarHBondContact O-N 2.86Å |
| 114 | E | 98 | Very high | 97.9 | Very high | 99 Ų | 99 | 99.7 Ų | 99.7 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 178.2 | -168.1 | -170 | 152.3 | 0 | 0 | 112.1 | L110 Q111 E117 K118 | L110-E114 PolarHBondContact O-N 3.25Å; Q111-E114 PolarHBondContact O-N 2.95Å; E114-E117 PolarHBondContact O-N 3.34Å; E114-K118 WeakPolarHBondContact O-CG 3.42Å; E114-K118 PolarHBondContact O-N 2.85Å; E114-K118 WeakPolarHBondContact OE1-CE 3.27Å; E114-K118 IonicContact OE1-NZ 3.77Å; E114-K118 PolarHBondContact OE1-NZ 2.79Å |
| 115 | E | 97.9 | Very high | 97.9 | Very high | 109 Ų | 109 | 101.8 Ų | 101.8 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 175 | -72.2 | 172.4 | -168.7 | 0 | 0 | 111.8 | Q111 L113 A119 | Q111-E115 PolarHBondContact NE2-OE1 3.1Å; Q111-E115 WeakPolarHBondContact O-CG 3.45Å; Q111-E115 PolarHBondContact O-N 3.35Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 3.01Å; E115-A119 WeakPolarHBondContact O-CB 3.46Å; E115-A119 PolarHBondContact O-N 3.26Å |
| 116 | A | 97.9 | Very high | 97.8 | Very high | 56 Ų | 56 | 94.1 Ų | 94.1 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K112 L113 A119 A120 | K112-A116 WeakPolarHBondContact O-CB 3.44Å; K112-A116 PolarHBondContact O-N 3.23Å; L113-A116 PolarHBondContact O-N 2.99Å; L113-A116 VanDerWaalsContact O-N 3.16Å; A116-A119 PolarHBondContact O-N 2.84Å; A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 2.92Å |
| 117 | E | 97.6 | Very high | 97.8 | Very high | 109 Ų | 109 | 94.9 Ų | 94.9 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 174.7 | -75.5 | 178.5 | 167.9 | 0 | 0 | 111 | L113 E114 A119 A120 D121 | L113-E117 WeakPolarHBondContact O-CG 3.48Å; L113-E117 PolarHBondContact O-N 2.86Å; E114-E117 PolarHBondContact O-N 3.34Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.33Å; E117-A120 PolarHBondContact O-N 3.49Å; E117-D121 PolarHBondContact O-N 3.01Å |
| 118 | K | 97.8 | Very high | 97.8 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 175 | -77 | 170.3 | 173.8 | 162.5 | 0 | 112.3 | E114 A120 D121 E122 | E114-K118 WeakPolarHBondContact O-CG 3.42Å; E114-K118 PolarHBondContact O-N 2.85Å; E114-K118 WeakPolarHBondContact OE1-CE 3.27Å; E114-K118 IonicContact OE1-NZ 3.77Å; E114-K118 PolarHBondContact OE1-NZ 2.79Å; K118-A120 VanDerWaalsContact C-N 3.34Å; K118-A120 PolarHBondContact O-N 3.16Å; K118-D121 PolarHBondContact O-N 3.23Å; K118-E122 WeakPolarHBondContact O-CG 3.32Å; K118-E122 PolarHBondContact O-N 3.5Å |
| 119 | A | 97.7 | Very high | 97.8 | Very high | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E115 A116 E117 S123 | E115-A119 WeakPolarHBondContact O-CB 3.46Å; E115-A119 PolarHBondContact O-N 3.26Å; A116-A119 PolarHBondContact O-N 2.84Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.33Å; A119-S123 WeakPolarHBondContact O-CB 3.35Å; A119-S123 PolarHBondContact O-N 3.32Å |
| 120 | A | 97.9 | Very high | 97.8 | Very high | 58 Ų | 58 | 102.9 Ų | 102.9 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A116 E117 K118 E122 S123 E124 | A116-A120 WeakPolarHBondContact O-CB 3.44Å; A116-A120 PolarHBondContact O-N 2.92Å; E117-A120 PolarHBondContact O-N 3.49Å; K118-A120 VanDerWaalsContact C-N 3.34Å; K118-A120 PolarHBondContact O-N 3.16Å; A120-E122 PolarHBondContact O-N 3.49Å; A120-S123 WeakPolarHBondContact O-CB 3.36Å; A120-S123 PolarHBondContact O-N 3.39Å; A120-E124 PolarHBondContact O-N 3.3Å |
| 121 | D | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 176.5 | -77.8 | -5.1 | 0 | 0 | 0 | 112 | E117 K118 E124 R125 | E117-D121 PolarHBondContact O-N 3.01Å; K118-D121 PolarHBondContact O-N 3.23Å; D121-E124 PolarHBondContact O-N 3.03Å; D121-R125 VanDerWaalsContact O-CG 3.32Å; D121-R125 WeakPolarHBondContact O-CG 3.46Å; D121-R125 PolarHBondContact O-N 3.11Å |
| 122 | E | 97.4 | Very high | 97.7 | Very high | 137 Ų | 137 | 102.6 Ų | 102.6 | 64% | 0.64 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.7 | -41.1 | 175.5 | -74 | -179.2 | 177.1 | 0 | 0 | 111.8 | K118 A120 R125 G126 | K118-E122 WeakPolarHBondContact O-CG 3.32Å; K118-E122 PolarHBondContact O-N 3.5Å; A120-E122 PolarHBondContact O-N 3.49Å; E122-R125 PolarHBondContact O-N 3.3Å; E122-G126 PolarHBondContact O-N 2.88Å |
| 123 | S | 97.3 | Very high | 97.7 | Very high | 84 Ų | 84 | 104.4 Ų | 104.4 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -41.4 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 112 | A119 A120 G126 M127 | A119-S123 WeakPolarHBondContact O-CB 3.35Å; A119-S123 PolarHBondContact O-N 3.32Å; A120-S123 WeakPolarHBondContact O-CB 3.36Å; A120-S123 PolarHBondContact O-N 3.39Å; S123-G126 PolarHBondContact O-N 3.45Å; S123-M127 WeakPolarHBondContact O-CB 3.47Å; S123-M127 PolarHBondContact O-N 2.95Å |
| 124 | E | 97.8 | Very high | 97.7 | Very high | 121 Ų | 121 | 102.6 Ų | 102.6 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 177.2 | -170.9 | -176.9 | 168.3 | 0 | 0 | 111.2 | A120 D121 G126 M127 K128 | A120-E124 PolarHBondContact O-N 3.3Å; D121-E124 PolarHBondContact O-N 3.03Å; E124-G126 VanDerWaalsContact C-N 3.33Å; E124-G126 PolarHBondContact O-N 3.04Å; E124-M127 WeakPolarHBondContact O-CB 3.5Å; E124-M127 PolarHBondContact O-N 3.45Å; E124-K128 PolarHBondContact O-N 2.87Å |
| 125 | R | 97.8 | Very high | 97.7 | Very high | 180 Ų | 180 | 100.9 Ų | 100.9 | 68% | 0.679 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 173.2 | -71.5 | 174.3 | -175.5 | -173.4 | 4.5 | 111.5 | D121 E122 K128 V129 | D121-R125 VanDerWaalsContact O-CG 3.32Å; D121-R125 WeakPolarHBondContact O-CG 3.46Å; D121-R125 PolarHBondContact O-N 3.11Å; E122-R125 PolarHBondContact O-N 3.3Å; R125-K128 PolarHBondContact O-N 3.04Å; R125-V129 WeakPolarHBondContact O-CG2 3.32Å; R125-V129 PolarHBondContact O-N 3.29Å; R125-V129 VanDerWaalsContact O-N 3.08Å |
| 126 | G | 97.6 | Very high | 97.7 | Very high | 33 Ų | 33 | 102.5 Ų | 102.5 | 34% | 0.34 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E122 S123 E124 K128 V129 I130 | E122-G126 PolarHBondContact O-N 2.88Å; S123-G126 PolarHBondContact O-N 3.45Å; E124-G126 VanDerWaalsContact C-N 3.33Å; E124-G126 PolarHBondContact O-N 3.04Å; G126-K128 PolarHBondContact O-N 3.34Å; G126-V129 PolarHBondContact O-N 3.47Å; G126-I130 WeakPolarHBondContact O-CG1 3.5Å; G126-I130 PolarHBondContact O-N 3.43Å |
| 127 | M | 97.1 | Very high | 97.7 | Very high | 119 Ų | 119 | 104.1 Ų | 104.1 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.6 | -47.6 | 176.5 | -173.3 | -178.9 | 77.4 | 0 | 0 | 111.3 | S123 E124 V129 I130 E131 | S123-M127 WeakPolarHBondContact O-CB 3.47Å; S123-M127 PolarHBondContact O-N 2.95Å; E124-M127 WeakPolarHBondContact O-CB 3.5Å; E124-M127 PolarHBondContact O-N 3.45Å; M127-V129 VanDerWaalsContact C-N 3.32Å; M127-V129 PolarHBondContact O-N 2.89Å; M127-I130 PolarHBondContact O-N 2.97Å; M127-I130 VanDerWaalsContact O-N 3.16Å; M127-E131 WeakPolarHBondContact O-CB 3.45Å; M127-E131 PolarHBondContact O-N 3.38Å |
| 128 | K | 98.1 | Very high | 97.8 | Very high | 132 Ų | 132 | 104.7 Ų | 104.7 | 57% | 0.574 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.3 | -35.8 | 179.8 | -167.6 | 169.8 | -172.1 | 168.8 | 0 | 112.8 | E124 R125 G126 N132 | E124-K128 PolarHBondContact O-N 2.87Å; R125-K128 PolarHBondContact O-N 3.04Å; G126-K128 PolarHBondContact O-N 3.34Å; K128-N132 WeakPolarHBondContact O-CB 3.3Å; K128-N132 PolarHBondContact O-N 2.88Å; K128-N132 VanDerWaalsContact O-N 3.08Å; K128-N132 PolarHBondContact O-ND2 3.17Å |
| 129 | V | 98.2 | Very high | 97.8 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 111 | R125 G126 M127 R133 | R125-V129 WeakPolarHBondContact O-CG2 3.32Å; R125-V129 PolarHBondContact O-N 3.29Å; R125-V129 VanDerWaalsContact O-N 3.08Å; G126-V129 PolarHBondContact O-N 3.47Å; M127-V129 VanDerWaalsContact C-N 3.32Å; M127-V129 PolarHBondContact O-N 2.89Å; V129-R133 PolarHBondContact O-N 3.39Å; V129-R133 VanDerWaalsContact O-N 3.08Å |
| 130 | I | 97.6 | Very high | 97.8 | Very high | 121 Ų | 121 | 107.6 Ų | 107.6 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 178.1 | -67.6 | 168.7 | 0 | 0 | 0 | 110.7 | G126 M127 R133 A134 | G126-I130 WeakPolarHBondContact O-CG1 3.5Å; G126-I130 PolarHBondContact O-N 3.43Å; M127-I130 PolarHBondContact O-N 2.97Å; M127-I130 VanDerWaalsContact O-N 3.16Å; I130-R133 WeakPolarHBondContact O-CB 3.45Å; I130-R133 PolarHBondContact O-N 3.21Å; I130-R133 VanDerWaalsContact O-N 3.13Å; I130-A134 PolarHBondContact O-N 3.41Å |
| 131 | E | 97.4 | Very high | 97.8 | Very high | 118 Ų | 118 | 110.1 Ų | 110.1 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.2 | -50.8 | 177 | -175.9 | 180 | -153.8 | 0 | 0 | 111.2 | M127 R133 A134 T135 | M127-E131 WeakPolarHBondContact O-CB 3.45Å; M127-E131 PolarHBondContact O-N 3.38Å; E131-R133 PolarHBondContact O-N 3.49Å; E131-A134 WeakPolarHBondContact O-CB 3.34Å; E131-A134 PolarHBondContact O-N 3.09Å; E131-A134 VanDerWaalsContact O-N 3.11Å; E131-T135 PolarHBondContact O-N 3.1Å; E131-T135 PolarHBondContact O-OG1 2.65Å; E131-T135 VanDerWaalsContact O-OG1 3.13Å |
| 132 | N | 97.6 | Very high | 97.8 | Very high | 88 Ų | 88 | 111.5 Ų | 111.5 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | 176.3 | -78.2 | -60.7 | 0 | 0 | 0 | 113.1 | K128 K136 | K128-N132 WeakPolarHBondContact O-CB 3.3Å; K128-N132 PolarHBondContact O-N 2.88Å; K128-N132 VanDerWaalsContact O-N 3.08Å; K128-N132 PolarHBondContact O-ND2 3.17Å; N132-K136 WeakPolarHBondContact O-CG 3.23Å; N132-K136 PolarHBondContact O-N 3.39Å |
| 133 | R | 98.1 | Very high | 97.8 | Very high | 174 Ų | 174 | 109.1 Ų | 109.1 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.5 | -44.7 | 175.9 | -171.2 | 177.5 | -169.4 | 164.2 | 4.9 | 110.9 | V129 I130 E131 T135 K136 D137 | V129-R133 PolarHBondContact O-N 3.39Å; V129-R133 VanDerWaalsContact O-N 3.08Å; I130-R133 WeakPolarHBondContact O-CB 3.45Å; I130-R133 PolarHBondContact O-N 3.21Å; I130-R133 VanDerWaalsContact O-N 3.13Å; E131-R133 PolarHBondContact O-N 3.49Å; R133-T135 PolarHBondContact O-N 3.43Å; R133-K136 PolarHBondContact O-N 2.91Å; R133-D137 WeakPolarHBondContact O-CB 3.1Å; R133-D137 PolarHBondContact O-N 3.44Å |
| 134 | A | 97.9 | Very high | 97.8 | Very high | 53 Ų | 53 | 110.2 Ų | 110.2 | 44% | 0.438 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I130 E131 K136 D137 E138 | I130-A134 PolarHBondContact O-N 3.41Å; E131-A134 WeakPolarHBondContact O-CB 3.34Å; E131-A134 PolarHBondContact O-N 3.09Å; E131-A134 VanDerWaalsContact O-N 3.11Å; A134-K136 VanDerWaalsContact C-N 3.35Å; A134-K136 PolarHBondContact O-N 2.84Å; A134-D137 PolarHBondContact O-N 2.94Å; A134-E138 WeakPolarHBondContact O-CB 3.33Å; A134-E138 PolarHBondContact O-N 3.44Å |
| 135 | T | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 109.8 Ų | 109.8 | 39% | 0.387 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | E131 R133 E138 E139 | E131-T135 PolarHBondContact O-N 3.1Å; E131-T135 PolarHBondContact O-OG1 2.65Å; E131-T135 VanDerWaalsContact O-OG1 3.13Å; R133-T135 PolarHBondContact O-N 3.43Å; T135-E138 PolarHBondContact O-N 3.24Å; T135-E139 WeakPolarHBondContact O-CG 3.47Å; T135-E139 PolarHBondContact O-N 3.37Å |
| 136 | K | 97.9 | Very high | 97.9 | Very high | 143 Ų | 143 | 106.8 Ų | 106.8 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 177.4 | -74.9 | 178.4 | -179.4 | -177.5 | 0 | 112.9 | N132 R133 A134 E138 K140 | N132-K136 WeakPolarHBondContact O-CG 3.23Å; N132-K136 PolarHBondContact O-N 3.39Å; R133-K136 PolarHBondContact O-N 2.91Å; A134-K136 VanDerWaalsContact C-N 3.35Å; A134-K136 PolarHBondContact O-N 2.84Å; K136-E138 VanDerWaalsContact C-N 3.33Å; K136-K140 WeakPolarHBondContact O-CB 3.45Å; K136-K140 PolarHBondContact O-N 3.45Å |
| 137 | D | 97.8 | Very high | 97.9 | Very high | 90 Ų | 90 | 110.8 Ų | 110.8 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 177.6 | -72.8 | -20.8 | 0 | 0 | 0 | 110.5 | R133 A134 K140 M141 | R133-D137 WeakPolarHBondContact O-CB 3.1Å; R133-D137 PolarHBondContact O-N 3.44Å; A134-D137 PolarHBondContact O-N 2.94Å; D137-K140 PolarHBondContact O-N 2.96Å; D137-M141 WeakPolarHBondContact O-CB 3.39Å; D137-M141 PolarHBondContact O-N 2.99Å |
| 138 | E | 98 | Very high | 97.9 | Very high | 122 Ų | 122 | 109.7 Ų | 109.7 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -50.7 | 173.7 | -169.6 | 168.3 | -158.4 | 0 | 0 | 111.8 | A134 T135 K136 K140 M141 E142 | A134-E138 WeakPolarHBondContact O-CB 3.33Å; A134-E138 PolarHBondContact O-N 3.44Å; T135-E138 PolarHBondContact O-N 3.24Å; K136-E138 VanDerWaalsContact C-N 3.33Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.45Å; E138-M141 WeakPolarHBondContact O-CB 3.47Å; E138-M141 PolarHBondContact O-N 2.96Å; E138-E142 PolarHBondContact O-N 3.12Å |
| 139 | E | 97.8 | Very high | 98 | Very high | 112 Ų | 112 | 111.2 Ų | 111.2 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56 | -41.8 | 174.5 | -73.6 | 174.6 | 176.2 | 0 | 0 | 111.9 | T135 I143 | T135-E139 WeakPolarHBondContact O-CG 3.47Å; T135-E139 PolarHBondContact O-N 3.37Å; E139-I143 VanDerWaalsContact O-CG1 3.32Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 3.16Å; E139-I143 VanDerWaalsContact O-N 3.16Å |
| 140 | K | 98.2 | Very high | 98 | Very high | 121 Ų | 121 | 112.5 Ų | 112.5 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 177.9 | -174.9 | 179.8 | 176.3 | -173.5 | 0 | 111.7 | K136 D137 E138 I143 Q144 | K136-K140 WeakPolarHBondContact O-CB 3.45Å; K136-K140 PolarHBondContact O-N 3.45Å; D137-K140 PolarHBondContact O-N 2.96Å; E138-K140 VanDerWaalsContact C-N 3.27Å; E138-K140 PolarHBondContact O-N 3.45Å; K140-I143 PolarHBondContact O-N 3.04Å; K140-Q144 WeakPolarHBondContact O-CG 3.47Å; K140-Q144 PolarHBondContact O-N 2.91Å |
| 141 | M | 97.7 | Very high | 98 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 177.4 | -176.3 | 167.7 | 169.3 | 0 | 0 | 110.8 | D137 E138 I143 Q144 E145 | D137-M141 WeakPolarHBondContact O-CB 3.39Å; D137-M141 PolarHBondContact O-N 2.99Å; E138-M141 WeakPolarHBondContact O-CB 3.47Å; E138-M141 PolarHBondContact O-N 2.96Å; M141-I143 VanDerWaalsContact C-N 3.35Å; M141-I143 PolarHBondContact O-N 3.05Å; M141-Q144 PolarHBondContact O-N 2.95Å; M141-E145 VanDerWaalsContact CE-OE1 3.27Å; M141-E145 WeakPolarHBondContact CE-OE1 3.41Å; M141-E145 WeakPolarHBondContact O-CG 3.46Å; M141-E145 PolarHBondContact O-N 2.96Å |
| 142 | E | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 109.6 Ų | 109.6 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.3 | -70.4 | -174.8 | 166.4 | 0 | 0 | 112.4 | E138 Q144 E145 M146 | E138-E142 PolarHBondContact O-N 3.12Å; E142-Q144 PolarHBondContact O-N 2.96Å; E142-E145 PolarHBondContact O-N 3.43Å; E142-M146 WeakPolarHBondContact O-CG 3.37Å; E142-M146 PolarHBondContact O-N 3.46Å |
| 143 | I | 98.1 | Very high | 98.1 | Very high | 88 Ų | 88 | 110.3 Ų | 110.3 | 45% | 0.451 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.5 | -67 | 165.9 | 0 | 0 | 0 | 110.8 | E139 K140 M141 E145 M146 Q147 | E139-I143 VanDerWaalsContact O-CG1 3.32Å; E139-I143 WeakPolarHBondContact O-CG1 3.33Å; E139-I143 PolarHBondContact O-N 3.16Å; E139-I143 VanDerWaalsContact O-N 3.16Å; K140-I143 PolarHBondContact O-N 3.04Å; M141-I143 VanDerWaalsContact C-N 3.35Å; M141-I143 PolarHBondContact O-N 3.05Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 2.88Å; I143-M146 HydrophobicContact CG1-CE 4.42Å; I143-M146 PolarHBondContact O-N 2.87Å; I143-Q147 WeakPolarHBondContact O-CG 3.46Å; I143-Q147 PolarHBondContact O-N 3.48Å |
| 144 | Q | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 107.4 Ų | 107.4 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 179 | -73.4 | -177.7 | -35.2 | 0 | 0 | 112.2 | K140 M141 E142 Q147 L148 | K140-Q144 WeakPolarHBondContact O-CG 3.47Å; K140-Q144 PolarHBondContact O-N 2.91Å; M141-Q144 PolarHBondContact O-N 2.95Å; E142-Q144 PolarHBondContact O-N 2.96Å; Q144-Q147 PolarHBondContact O-N 3.03Å; Q144-L148 VanDerWaalsContact O-CB 3.29Å; Q144-L148 WeakPolarHBondContact O-CB 3.29Å; Q144-L148 PolarHBondContact O-N 3Å |
| 145 | E | 98.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 107.2 Ų | 107.2 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 174.8 | -76.5 | -174.2 | 176.2 | 0 | 0 | 112.1 | M141 E142 I143 L148 K149 | M141-E145 VanDerWaalsContact CE-OE1 3.27Å; M141-E145 WeakPolarHBondContact CE-OE1 3.41Å; M141-E145 WeakPolarHBondContact O-CG 3.46Å; M141-E145 PolarHBondContact O-N 2.96Å; E142-E145 PolarHBondContact O-N 3.43Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 2.88Å; E145-L148 PolarHBondContact O-N 3.33Å; E145-K149 WeakPolarHBondContact O-CB 3.36Å; E145-K149 PolarHBondContact O-N 3.37Å |
| 146 | M | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 109.1 Ų | 109.1 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -48.9 | 174 | -72 | -169.1 | -65.3 | 0 | 0 | 111.4 | E142 I143 L148 K149 E150 | E142-M146 WeakPolarHBondContact O-CG 3.37Å; E142-M146 PolarHBondContact O-N 3.46Å; I143-M146 HydrophobicContact CG1-CE 4.42Å; I143-M146 PolarHBondContact O-N 2.87Å; M146-L148 VanDerWaalsContact C-N 3.3Å; M146-L148 PolarHBondContact O-N 3.5Å; M146-K149 WeakPolarHBondContact O-CB 3.34Å; M146-K149 PolarHBondContact O-N 3.38Å; M146-K149 VanDerWaalsContact O-N 3.12Å; M146-E150 PolarHBondContact O-N 3.37Å |
| 147 | Q | 98 | Very high | 98.1 | Very high | 116 Ų | 116 | 106.3 Ų | 106.3 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 177.4 | -73.3 | 178 | -15.4 | 0 | 0 | 112.2 | I143 Q144 K149 E150 A151 | I143-Q147 WeakPolarHBondContact O-CG 3.46Å; I143-Q147 PolarHBondContact O-N 3.48Å; Q144-Q147 PolarHBondContact O-N 3.03Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; Q147-E150 PolarHBondContact O-N 3.17Å; Q147-A151 WeakPolarHBondContact O-CB 3.46Å; Q147-A151 PolarHBondContact O-N 3.4Å |
| 148 | L | 98.1 | Very high | 98.1 | Very high | 96 Ų | 96 | 103.7 Ų | 103.7 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 176.3 | 178.8 | 63.2 | 0 | 0 | 0 | 111.5 | Q144 E145 M146 A151 K152 | Q144-L148 VanDerWaalsContact O-CB 3.29Å; Q144-L148 WeakPolarHBondContact O-CB 3.29Å; Q144-L148 PolarHBondContact O-N 3Å; E145-L148 PolarHBondContact O-N 3.33Å; M146-L148 VanDerWaalsContact C-N 3.3Å; M146-L148 PolarHBondContact O-N 3.5Å; L148-A151 PolarHBondContact O-N 3.47Å; L148-K152 HydrophobicContact CG-CD 4.45Å; L148-K152 WeakPolarHBondContact O-CB 3.42Å; L148-K152 WeakPolarHBondContact O-CG 3.48Å; L148-K152 PolarHBondContact O-N 2.88Å |
| 149 | K | 98.4 | Very high | 98.1 | Very high | 164 Ų | 164 | 102.6 Ų | 102.6 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 178 | -170.5 | 178.9 | 179.3 | -177.8 | 0 | 111.6 | E145 M146 Q147 K152 H153 | E145-K149 WeakPolarHBondContact O-CB 3.36Å; E145-K149 PolarHBondContact O-N 3.37Å; M146-K149 WeakPolarHBondContact O-CB 3.34Å; M146-K149 PolarHBondContact O-N 3.38Å; M146-K149 VanDerWaalsContact O-N 3.12Å; Q147-K149 VanDerWaalsContact C-N 3.34Å; K149-K152 PolarHBondContact O-N 3.22Å; K149-H153 PolarHBondContact O-N 3.44Å |
| 150 | E | 98.1 | Very high | 98.1 | Very high | 130 Ų | 130 | 105.4 Ų | 105.4 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | 174.7 | -71.5 | 179.8 | 173.3 | 0 | 0 | 111.7 | M146 Q147 K152 H153 I154 | M146-E150 PolarHBondContact O-N 3.37Å; Q147-E150 PolarHBondContact O-N 3.17Å; E150-K152 VanDerWaalsContact C-N 3.31Å; E150-K152 PolarHBondContact O-N 3.07Å; E150-H153 PolarHBondContact O-N 3.06Å; E150-H153 VanDerWaalsContact O-N 3.16Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 3.02Å |
| 151 | A | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 105.9 Ų | 105.9 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q147 L148 I154 A155 | Q147-A151 WeakPolarHBondContact O-CB 3.46Å; Q147-A151 PolarHBondContact O-N 3.4Å; L148-A151 PolarHBondContact O-N 3.47Å; A151-I154 PolarHBondContact O-N 2.96Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.39Å |
| 152 | K | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 108.8 Ų | 108.8 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.1 | -77.6 | 178.2 | 177.9 | -178.6 | 0 | 111.9 | L148 K149 E150 I154 A155 E156 | L148-K152 HydrophobicContact CG-CD 4.45Å; L148-K152 WeakPolarHBondContact O-CB 3.42Å; L148-K152 WeakPolarHBondContact O-CG 3.48Å; L148-K152 PolarHBondContact O-N 2.88Å; K149-K152 PolarHBondContact O-N 3.22Å; E150-K152 VanDerWaalsContact C-N 3.31Å; E150-K152 PolarHBondContact O-N 3.07Å; K152-I154 VanDerWaalsContact C-N 3.33Å; K152-I154 PolarHBondContact O-N 2.92Å; K152-A155 PolarHBondContact O-N 3.27Å; K152-E156 WeakPolarHBondContact O-CG 3.33Å; K152-E156 PolarHBondContact O-N 2.92Å |
| 153 | H | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 108.7 Ų | 108.7 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 178.4 | -170.4 | -89.8 | 0 | 0 | 0 | 111.9 | K149 E150 E156 E157 | K149-H153 PolarHBondContact O-N 3.44Å; E150-H153 PolarHBondContact O-N 3.06Å; E150-H153 VanDerWaalsContact O-N 3.16Å; H153-E156 PolarHBondContact O-N 2.96Å; H153-E157 IonicContact CE1-OE1 3.67Å; H153-E157 PolarHBondContact CE1-OE1 3.13Å; H153-E157 IonicContact ND1-OE1 2.66Å; H153-E157 WeakPolarHBondContact O-CG 3.36Å; H153-E157 PolarHBondContact O-N 3.16Å |
| 154 | I | 98.1 | Very high | 98.2 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 176.2 | -67.4 | 166.9 | 0 | 0 | 0 | 111 | E150 A151 K152 E157 A158 | E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 3.02Å; A151-I154 PolarHBondContact O-N 2.96Å; K152-I154 VanDerWaalsContact C-N 3.33Å; K152-I154 PolarHBondContact O-N 2.92Å; I154-E157 PolarHBondContact O-N 3.11Å; I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 2.95Å |
| 155 | A | 98.3 | Very high | 98.2 | Very high | 49 Ų | 49 | 108.8 Ų | 108.8 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A151 K152 E157 A158 D159 | A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.39Å; K152-A155 PolarHBondContact O-N 3.27Å; A155-E157 PolarHBondContact O-N 3.21Å; A155-A158 WeakPolarHBondContact O-CB 3.38Å; A155-A158 PolarHBondContact O-N 3.37Å; A155-A158 VanDerWaalsContact O-N 3.17Å; A155-D159 PolarHBondContact O-N 3.27Å |
| 156 | E | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 106 Ų | 106 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 177.6 | -72.4 | 175.7 | -164.6 | 0 | 0 | 112.7 | K152 H153 D159 R160 | K152-E156 WeakPolarHBondContact O-CG 3.33Å; K152-E156 PolarHBondContact O-N 2.92Å; H153-E156 PolarHBondContact O-N 2.96Å; E156-D159 PolarHBondContact O-N 3.43Å; E156-R160 WeakPolarHBondContact O-CG 3.38Å; E156-R160 PolarHBondContact O-N 3.37Å |
| 157 | E | 98.2 | Very high | 98.2 | Very high | 85 Ų | 85 | 108.7 Ų | 108.7 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 173.8 | -78.1 | -167.2 | 168.3 | 0 | 0 | 112.5 | H153 I154 A155 K161 | H153-E157 IonicContact CE1-OE1 3.67Å; H153-E157 PolarHBondContact CE1-OE1 3.13Å; H153-E157 IonicContact ND1-OE1 2.66Å; H153-E157 WeakPolarHBondContact O-CG 3.36Å; H153-E157 PolarHBondContact O-N 3.16Å; I154-E157 PolarHBondContact O-N 3.11Å; A155-E157 PolarHBondContact O-N 3.21Å; E157-K161 WeakPolarHBondContact O-CG 3.47Å; E157-K161 PolarHBondContact O-N 3.16Å; E157-K161 VanDerWaalsContact O-N 3.09Å |
| 158 | A | 98.2 | Very high | 98.2 | Very high | 35 Ų | 35 | 108.5 Ų | 108.5 | 29% | 0.289 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I154 A155 R160 K161 Y162 | I154-A158 WeakPolarHBondContact O-CB 3.49Å; I154-A158 PolarHBondContact O-N 2.95Å; A155-A158 WeakPolarHBondContact O-CB 3.38Å; A155-A158 PolarHBondContact O-N 3.37Å; A155-A158 VanDerWaalsContact O-N 3.17Å; A158-R160 VanDerWaalsContact C-N 3.33Å; A158-R160 PolarHBondContact O-N 2.86Å; A158-K161 WeakPolarHBondContact O-CB 3.35Å; A158-K161 PolarHBondContact O-N 3.44Å; A158-K161 VanDerWaalsContact O-N 3.1Å; A158-Y162 HydrophobicContact CB-CD2 4.41Å; A158-Y162 HydrophobicContact CB-CE2 4.33Å; A158-Y162 WeakPolarHBondContact O-CD2 3.39Å; A158-Y162 PolarHBondContact O-N 3.25Å |
| 159 | D | 98.2 | Very high | 98.2 | Very high | 98 Ų | 98 | 108.4 Ų | 108.4 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 177.9 | -73.5 | -19.8 | 0 | 0 | 0 | 111.6 | A155 E156 K161 Y162 E163 | A155-D159 PolarHBondContact O-N 3.27Å; E156-D159 PolarHBondContact O-N 3.43Å; D159-K161 VanDerWaalsContact C-N 3.34Å; D159-K161 PolarHBondContact O-N 3.3Å; D159-Y162 PolarHBondContact O-N 3.49Å; D159-E163 WeakPolarHBondContact O-CG 3.41Å; D159-E163 PolarHBondContact O-N 3.08Å |
| 160 | R | 98.2 | Very high | 98.2 | Very high | 172 Ų | 172 | 105.3 Ų | 105.3 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 174.7 | -72.7 | 177.9 | -167.3 | -178.7 | 8.6 | 112.5 | E156 A158 E163 E164 | E156-R160 WeakPolarHBondContact O-CG 3.38Å; E156-R160 PolarHBondContact O-N 3.37Å; A158-R160 VanDerWaalsContact C-N 3.33Å; A158-R160 PolarHBondContact O-N 2.86Å; R160-E163 PolarHBondContact O-N 2.85Å; R160-E164 PolarHBondContact O-N 3.08Å |
| 161 | K | 98.2 | Very high | 98.2 | Very high | 131 Ų | 131 | 104.3 Ų | 104.3 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 176.4 | -73.2 | 171.3 | -175.2 | 165.4 | 0 | 111.2 | E157 A158 D159 E164 V165 | E157-K161 WeakPolarHBondContact O-CG 3.47Å; E157-K161 PolarHBondContact O-N 3.16Å; E157-K161 VanDerWaalsContact O-N 3.09Å; A158-K161 WeakPolarHBondContact O-CB 3.35Å; A158-K161 PolarHBondContact O-N 3.44Å; A158-K161 VanDerWaalsContact O-N 3.1Å; D159-K161 VanDerWaalsContact C-N 3.34Å; D159-K161 PolarHBondContact O-N 3.3Å; K161-E164 PolarHBondContact O-N 3.43Å; K161-V165 WeakPolarHBondContact O-CG2 3.32Å; K161-V165 PolarHBondContact O-N 3.26Å |
| 162 | Y | 97.9 | Very high | 98.2 | Very high | 172 Ų | 172 | 107 Ų | 107 | 68% | 0.675 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 176 | -82.1 | -65.3 | 0 | 0 | 0 | 111.6 | A158 D159 E164 V165 A166 | A158-Y162 HydrophobicContact CB-CD2 4.41Å; A158-Y162 HydrophobicContact CB-CE2 4.33Å; A158-Y162 WeakPolarHBondContact O-CD2 3.39Å; A158-Y162 PolarHBondContact O-N 3.25Å; D159-Y162 PolarHBondContact O-N 3.49Å; Y162-E164 PolarHBondContact O-N 2.86Å; Y162-V165 PolarHBondContact O-N 3.19Å; Y162-A166 VanDerWaalsContact O-CB 3.3Å; Y162-A166 WeakPolarHBondContact O-CB 3.34Å; Y162-A166 PolarHBondContact O-N 3.06Å |
| 163 | E | 98.2 | Very high | 98.2 | Very high | 115 Ų | 115 | 106.4 Ų | 106.4 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 175.7 | -74.1 | -171.9 | -176.1 | 0 | 0 | 112.4 | D159 R160 A166 R167 | D159-E163 WeakPolarHBondContact O-CG 3.41Å; D159-E163 PolarHBondContact O-N 3.08Å; R160-E163 PolarHBondContact O-N 2.85Å; E163-A166 PolarHBondContact O-N 3.13Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.36Å |
| 164 | E | 98.1 | Very high | 98.2 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 177.9 | -169.2 | -171.9 | 155.2 | 0 | 0 | 111.6 | R160 K161 Y162 R167 K168 | R160-E164 PolarHBondContact O-N 3.08Å; K161-E164 PolarHBondContact O-N 3.43Å; Y162-E164 PolarHBondContact O-N 2.86Å; E164-R167 PolarHBondContact O-N 2.95Å; E164-K168 WeakPolarHBondContact O-CG 3.43Å; E164-K168 PolarHBondContact O-N 2.95Å; E164-K168 VanDerWaalsContact OE1-CE 3.23Å; E164-K168 WeakPolarHBondContact OE1-CE 3.46Å; E164-K168 IonicContact OE1-NZ 3.63Å; E164-K168 PolarHBondContact OE1-NZ 2.85Å |
| 165 | V | 98.2 | Very high | 98.2 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | K161 Y162 R167 K168 L169 | K161-V165 WeakPolarHBondContact O-CG2 3.32Å; K161-V165 PolarHBondContact O-N 3.26Å; Y162-V165 PolarHBondContact O-N 3.19Å; V165-R167 PolarHBondContact O-N 3.29Å; V165-K168 PolarHBondContact O-N 3.08Å; V165-L169 WeakPolarHBondContact O-CB 3.38Å; V165-L169 PolarHBondContact O-N 3.4Å |
| 166 | A | 98 | Very high | 98.1 | Very high | 52 Ų | 52 | 102.9 Ų | 102.9 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y162 E163 K168 L169 V170 | Y162-A166 VanDerWaalsContact O-CB 3.3Å; Y162-A166 WeakPolarHBondContact O-CB 3.34Å; Y162-A166 PolarHBondContact O-N 3.06Å; E163-A166 PolarHBondContact O-N 3.13Å; A166-K168 PolarHBondContact O-N 3.05Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 2.98Å; A166-V170 WeakPolarHBondContact O-CG2 3.49Å; A166-V170 PolarHBondContact O-N 2.77Å; A166-V170 VanDerWaalsContact O-N 3.16Å |
| 167 | R | 98.3 | Very high | 98.2 | Very high | 174 Ų | 174 | 103.9 Ų | 103.9 | 66% | 0.657 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 175.2 | -72.3 | 178.2 | -165.3 | -139.4 | 6.9 | 112.3 | E163 E164 V165 L169 V170 I171 | E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.36Å; E164-R167 PolarHBondContact O-N 2.95Å; V165-R167 PolarHBondContact O-N 3.29Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-V170 PolarHBondContact O-N 2.86Å; R167-I171 WeakPolarHBondContact O-CG1 3.41Å; R167-I171 PolarHBondContact O-N 3.46Å |
| 168 | K | 98.3 | Very high | 98.2 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.5 | -74.9 | 177.6 | -174.7 | 167.8 | 0 | 111.9 | E164 V165 A166 I171 L172 | E164-K168 WeakPolarHBondContact O-CG 3.43Å; E164-K168 PolarHBondContact O-N 2.95Å; E164-K168 VanDerWaalsContact OE1-CE 3.23Å; E164-K168 WeakPolarHBondContact OE1-CE 3.46Å; E164-K168 IonicContact OE1-NZ 3.63Å; E164-K168 PolarHBondContact OE1-NZ 2.85Å; V165-K168 PolarHBondContact O-N 3.08Å; A166-K168 PolarHBondContact O-N 3.05Å; K168-I171 PolarHBondContact O-N 3.45Å; K168-L172 PolarHBondContact O-N 3.16Å |
| 169 | L | 97.9 | Very high | 98.2 | Very high | 94 Ų | 94 | 108.3 Ų | 108.3 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 178.4 | -173.5 | 67.3 | 0 | 0 | 0 | 111 | V165 A166 R167 I171 L172 E173 | V165-L169 WeakPolarHBondContact O-CB 3.38Å; V165-L169 PolarHBondContact O-N 3.4Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 2.98Å; R167-L169 VanDerWaalsContact C-N 3.33Å; L169-I171 VanDerWaalsContact C-N 3.28Å; L169-I171 PolarHBondContact O-N 3.37Å; L169-L172 PolarHBondContact O-N 3.41Å; L169-L172 VanDerWaalsContact O-N 3.11Å; L169-E173 HydrophobicContact CG-CG 4.4Å; L169-E173 WeakPolarHBondContact O-CG 3.49Å; L169-E173 PolarHBondContact O-N 2.92Å |
| 170 | V | 98.5 | Very high | 98.1 | Very high | 98 Ų | 98 | 108.7 Ų | 108.7 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.9 | -38.9 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | A166 R167 G174 | A166-V170 WeakPolarHBondContact O-CG2 3.49Å; A166-V170 PolarHBondContact O-N 2.77Å; A166-V170 VanDerWaalsContact O-N 3.16Å; R167-V170 PolarHBondContact O-N 2.86Å; V170-G174 PolarHBondContact O-N 3.41Å; V170-G174 VanDerWaalsContact O-N 3.1Å |
| 171 | I | 98.3 | Very high | 98.1 | Very high | 109 Ų | 109 | 105.9 Ų | 105.9 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.6 | -46.4 | 176.7 | -65.1 | 169 | 0 | 0 | 0 | 110.4 | R167 K168 L169 G174 D175 | R167-I171 WeakPolarHBondContact O-CG1 3.41Å; R167-I171 PolarHBondContact O-N 3.46Å; K168-I171 PolarHBondContact O-N 3.45Å; L169-I171 VanDerWaalsContact C-N 3.28Å; L169-I171 PolarHBondContact O-N 3.37Å; I171-G174 PolarHBondContact O-N 3.17Å; I171-D175 PolarHBondContact O-N 2.91Å |
| 172 | L | 98.2 | Very high | 98.1 | Very high | 114 Ų | 114 | 108.7 Ų | 108.7 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 179.4 | -76.2 | 169.1 | 0 | 0 | 0 | 112.4 | K168 L169 G174 D175 L176 | K168-L172 PolarHBondContact O-N 3.16Å; L169-L172 PolarHBondContact O-N 3.41Å; L169-L172 VanDerWaalsContact O-N 3.11Å; L172-G174 VanDerWaalsContact C-N 3.34Å; L172-D175 PolarHBondContact O-N 3.49Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 PolarHBondContact O-N 3.44Å |
| 173 | E | 97.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 173.7 | -73.6 | 172.8 | 161.8 | 0 | 0 | 110.8 | L169 D175 L176 E177 | L169-E173 HydrophobicContact CG-CG 4.4Å; L169-E173 WeakPolarHBondContact O-CG 3.49Å; L169-E173 PolarHBondContact O-N 2.92Å; E173-D175 PolarHBondContact O-N 3.4Å; E173-L176 PolarHBondContact O-N 3.11Å; E173-E177 PolarHBondContact O-N 3.42Å |
| 174 | G | 98.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 103.5 Ų | 103.5 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -67.7 | -33.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V170 I171 L172 R178 | V170-G174 PolarHBondContact O-N 3.41Å; V170-G174 VanDerWaalsContact O-N 3.1Å; I171-G174 PolarHBondContact O-N 3.17Å; L172-G174 VanDerWaalsContact C-N 3.34Å; G174-R178 WeakPolarHBondContact O-CG 3.39Å; G174-R178 PolarHBondContact O-N 3.46Å |
| 175 | D | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 103.6 Ų | 103.6 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.7 | -34.8 | 174.3 | -75.2 | -18.4 | 0 | 0 | 0 | 112 | I171 L172 E173 R178 S179 | I171-D175 PolarHBondContact O-N 2.91Å; L172-D175 PolarHBondContact O-N 3.49Å; E173-D175 PolarHBondContact O-N 3.4Å; D175-R178 IonicContact OD1-CZ 3.89Å; D175-R178 IonicContact OD1-NH1 2.79Å; D175-R178 PolarHBondContact OD1-NH1 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.42Å; D175-S179 PolarHBondContact O-N 3.03Å |
| 176 | L | 98 | Very high | 98.1 | Very high | 96 Ų | 96 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 173.4 | 178 | 63.7 | 0 | 0 | 0 | 110.8 | L172 E173 R178 S179 E180 | L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 PolarHBondContact O-N 3.44Å; E173-L176 PolarHBondContact O-N 3.11Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 3.39Å; L176-S179 CarbonylContact O-C 3.57Å; L176-S179 WeakPolarHBondContact O-CA 3.41Å; L176-S179 WeakPolarHBondContact O-CB 3.32Å; L176-S179 PolarHBondContact O-N 3.05Å; L176-E180 HydrophobicContact CD1-CG 4.23Å; L176-E180 HydrophobicContact CG-CG 4.41Å; L176-E180 WeakPolarHBondContact O-CG 3.42Å; L176-E180 PolarHBondContact O-N 3.04Å |
| 177 | E | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -55.8 | -45.8 | 179 | -172.6 | 176.3 | -160 | 0 | 0 | 111.2 | E173 S179 E180 E181 | E173-E177 PolarHBondContact O-N 3.42Å; E177-S179 VanDerWaalsContact C-N 3.3Å; E177-S179 PolarHBondContact O-N 3.23Å; E177-E180 PolarHBondContact O-N 2.96Å; E177-E181 WeakPolarHBondContact O-CG 3.47Å; E177-E181 PolarHBondContact O-N 3.01Å |
| 178 | R | 98.3 | Very high | 98.1 | Very high | 142 Ų | 142 | 100.4 Ų | 100.4 | 54% | 0.536 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 174.8 | -68.6 | 178.1 | -158.9 | 136.6 | 4.7 | 113.4 | G174 D175 L176 R182 | G174-R178 WeakPolarHBondContact O-CG 3.39Å; G174-R178 PolarHBondContact O-N 3.46Å; D175-R178 IonicContact OD1-CZ 3.89Å; D175-R178 IonicContact OD1-NH1 2.79Å; D175-R178 PolarHBondContact OD1-NH1 3.28Å; L176-R178 VanDerWaalsContact C-N 3.31Å; L176-R178 PolarHBondContact O-N 3.39Å; R178-R182 VanDerWaalsContact O-CG 3.27Å; R178-R182 WeakPolarHBondContact O-CG 3.41Å; R178-R182 PolarHBondContact O-N 3.18Å |
| 179 | S | 98 | Very high | 98 | Very high | 71 Ų | 71 | 101.5 Ų | 101.5 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.7 | -38.3 | 177.5 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | D175 L176 E177 R182 A183 | D175-S179 WeakPolarHBondContact O-CB 3.42Å; D175-S179 PolarHBondContact O-N 3.03Å; L176-S179 CarbonylContact O-C 3.57Å; L176-S179 WeakPolarHBondContact O-CA 3.41Å; L176-S179 WeakPolarHBondContact O-CB 3.32Å; L176-S179 PolarHBondContact O-N 3.05Å; E177-S179 VanDerWaalsContact C-N 3.3Å; E177-S179 PolarHBondContact O-N 3.23Å; S179-R182 PolarHBondContact O-N 3.23Å; S179-A183 WeakPolarHBondContact O-CB 3.43Å; S179-A183 PolarHBondContact O-N 3.03Å |
| 180 | E | 97.8 | Very high | 98 | Very high | 106 Ų | 106 | 99.9 Ų | 99.9 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -49.6 | 175.3 | -71.2 | 176.3 | 159 | 0 | 0 | 110.6 | L176 E177 R182 A183 E184 | L176-E180 HydrophobicContact CD1-CG 4.23Å; L176-E180 HydrophobicContact CG-CG 4.41Å; L176-E180 WeakPolarHBondContact O-CG 3.42Å; L176-E180 PolarHBondContact O-N 3.04Å; E177-E180 PolarHBondContact O-N 2.96Å; E180-R182 VanDerWaalsContact C-N 3.26Å; E180-R182 PolarHBondContact O-N 2.92Å; E180-A183 WeakPolarHBondContact O-CB 3.45Å; E180-A183 PolarHBondContact O-N 2.94Å; E180-E184 PolarHBondContact O-N 3.44Å |
| 181 | E | 98 | Very high | 98 | Very high | 113 Ų | 113 | 97.8 Ų | 97.8 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -55.1 | -41.4 | 174.9 | -72.8 | -179.4 | 164.8 | 0 | 0 | 112.3 | E177 V185 | E177-E181 WeakPolarHBondContact O-CG 3.47Å; E177-E181 PolarHBondContact O-N 3.01Å; E181-V185 WeakPolarHBondContact O-CG2 3.42Å; E181-V185 PolarHBondContact O-N 3.02Å; E181-V185 VanDerWaalsContact O-N 3.14Å |
| 182 | R | 98 | Very high | 98 | Very high | 191 Ų | 191 | 97.4 Ų | 97.4 | 72% | 0.721 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -39.2 | 176.6 | -77 | 174.4 | -179.5 | -176.8 | 2.5 | 112.5 | R178 S179 E180 A186 | R178-R182 VanDerWaalsContact O-CG 3.27Å; R178-R182 WeakPolarHBondContact O-CG 3.41Å; R178-R182 PolarHBondContact O-N 3.18Å; S179-R182 PolarHBondContact O-N 3.23Å; E180-R182 VanDerWaalsContact C-N 3.26Å; E180-R182 PolarHBondContact O-N 2.92Å; R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.43Å |
| 183 | A | 97.9 | Very high | 97.9 | Very high | 45 Ų | 45 | 96.5 Ų | 96.5 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S179 E180 V185 A186 E187 | S179-A183 WeakPolarHBondContact O-CB 3.43Å; S179-A183 PolarHBondContact O-N 3.03Å; E180-A183 WeakPolarHBondContact O-CB 3.45Å; E180-A183 PolarHBondContact O-N 2.94Å; A183-V185 VanDerWaalsContact C-N 3.34Å; A183-V185 PolarHBondContact O-N 2.93Å; A183-A186 WeakPolarHBondContact O-CB 3.29Å; A183-A186 PolarHBondContact O-N 3.04Å; A183-A186 VanDerWaalsContact O-N 3.1Å; A183-E187 WeakPolarHBondContact O-CG 3.27Å; A183-E187 PolarHBondContact O-N 3.41Å |
| 184 | E | 97.9 | Very high | 97.9 | Very high | 133 Ų | 133 | 97.8 Ų | 97.8 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 176.6 | -70.9 | -176.4 | 171.8 | 0 | 0 | 112.1 | E180 A186 E187 A188 | E180-E184 PolarHBondContact O-N 3.44Å; E184-A186 VanDerWaalsContact C-N 3.33Å; E184-A186 PolarHBondContact O-N 3.37Å; E184-E187 PolarHBondContact O-N 3.44Å; E184-A188 WeakPolarHBondContact O-CB 3.39Å; E184-A188 PolarHBondContact O-N 3.15Å |
| 185 | V | 98.2 | Very high | 97.8 | Very high | 105 Ų | 105 | 102.8 Ų | 102.8 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | E181 A183 K189 | E181-V185 WeakPolarHBondContact O-CG2 3.42Å; E181-V185 PolarHBondContact O-N 3.02Å; E181-V185 VanDerWaalsContact O-N 3.14Å; A183-V185 VanDerWaalsContact C-N 3.34Å; A183-V185 PolarHBondContact O-N 2.93Å; V185-K189 WeakPolarHBondContact O-CB 3.49Å; V185-K189 PolarHBondContact O-N 2.66Å; V185-K189 VanDerWaalsContact O-N 3.09Å |
| 186 | A | 97.5 | Very high | 97.8 | Very high | 59 Ų | 59 | 105 Ų | 105 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R182 A183 E184 K189 S190 | R182-A186 WeakPolarHBondContact O-CB 3.47Å; R182-A186 PolarHBondContact O-N 3.43Å; A183-A186 WeakPolarHBondContact O-CB 3.29Å; A183-A186 PolarHBondContact O-N 3.04Å; A183-A186 VanDerWaalsContact O-N 3.1Å; E184-A186 VanDerWaalsContact C-N 3.33Å; E184-A186 PolarHBondContact O-N 3.37Å; A186-K189 PolarHBondContact O-N 3.48Å; A186-S190 WeakPolarHBondContact O-CB 3.37Å; A186-S190 PolarHBondContact O-N 2.89Å |
| 187 | E | 97.9 | Very high | 97.7 | Very high | 140 Ų | 140 | 105.8 Ų | 105.8 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 175.8 | -75.4 | -175.5 | 172.2 | 0 | 0 | 111.5 | A183 E184 K189 S190 A191 | A183-E187 WeakPolarHBondContact O-CG 3.27Å; A183-E187 PolarHBondContact O-N 3.41Å; E184-E187 PolarHBondContact O-N 3.44Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 2.99Å; E187-S190 WeakPolarHBondContact O-CB 3.48Å; E187-S190 PolarHBondContact O-N 3.47Å; E187-S190 VanDerWaalsContact O-N 3.15Å; E187-A191 PolarHBondContact O-N 3.39Å |
| 188 | A | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 106.7 Ų | 106.7 | 45% | 0.446 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.3 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E184 S190 A191 D192 | E184-A188 WeakPolarHBondContact O-CB 3.39Å; E184-A188 PolarHBondContact O-N 3.15Å; A188-S190 VanDerWaalsContact C-N 3.32Å; A188-S190 PolarHBondContact O-N 3.38Å; A188-A191 PolarHBondContact O-N 3.01Å; A188-D192 PolarHBondContact O-N 2.98Å |
| 189 | K | 98.1 | Very high | 97.6 | Very high | 136 Ų | 136 | 103.8 Ų | 103.8 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -36 | 177.4 | -171 | 174.3 | -176.2 | 179.1 | 0 | 112.8 | V185 A186 E187 L193 | V185-K189 WeakPolarHBondContact O-CB 3.49Å; V185-K189 PolarHBondContact O-N 2.66Å; V185-K189 VanDerWaalsContact O-N 3.09Å; A186-K189 PolarHBondContact O-N 3.48Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 2.99Å; K189-L193 HydrophobicContact CG-CD1 4.34Å; K189-L193 WeakPolarHBondContact O-CB 3.42Å; K189-L193 VanDerWaalsContact O-CG 3.32Å; K189-L193 WeakPolarHBondContact O-CG 3.39Å; K189-L193 PolarHBondContact O-N 3.17Å; K189-L193 VanDerWaalsContact O-N 3.08Å |
| 190 | S | 97.8 | Very high | 97.6 | Very high | 60 Ų | 60 | 104.8 Ų | 104.8 | 42% | 0.42 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.5 | -166 | 0 | 0 | 0 | 0 | 110.9 | A186 E187 A188 L193 E194 | A186-S190 WeakPolarHBondContact O-CB 3.37Å; A186-S190 PolarHBondContact O-N 2.89Å; E187-S190 WeakPolarHBondContact O-CB 3.48Å; E187-S190 PolarHBondContact O-N 3.47Å; E187-S190 VanDerWaalsContact O-N 3.15Å; A188-S190 VanDerWaalsContact C-N 3.32Å; A188-S190 PolarHBondContact O-N 3.38Å; S190-L193 PolarHBondContact O-N 2.94Å; S190-E194 WeakPolarHBondContact O-CG 3.38Å; S190-E194 PolarHBondContact O-N 2.9Å |
| 191 | A | 97.9 | Very high | 97.6 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E187 A188 L193 E194 E195 | E187-A191 PolarHBondContact O-N 3.39Å; A188-A191 PolarHBondContact O-N 3.01Å; A191-L193 PolarHBondContact O-N 3.43Å; A191-E194 PolarHBondContact O-N 3.4Å; A191-E195 PolarHBondContact O-N 3.12Å |
| 192 | D | 97.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.7 | -69.7 | -19.2 | 0 | 0 | 0 | 111.5 | A188 E195 E196 | A188-D192 PolarHBondContact O-N 2.98Å; D192-E195 PolarHBondContact O-N 3.38Å; D192-E196 PolarHBondContact O-N 3.13Å |
| 193 | L | 96.8 | Very high | 97.5 | Very high | 94 Ų | 94 | 96.9 Ų | 96.9 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 178.7 | -73.2 | 172.1 | 0 | 0 | 0 | 112.7 | K189 S190 A191 E195 E196 L197 | K189-L193 HydrophobicContact CG-CD1 4.34Å; K189-L193 WeakPolarHBondContact O-CB 3.42Å; K189-L193 VanDerWaalsContact O-CG 3.32Å; K189-L193 WeakPolarHBondContact O-CG 3.39Å; K189-L193 PolarHBondContact O-N 3.17Å; K189-L193 VanDerWaalsContact O-N 3.08Å; S190-L193 PolarHBondContact O-N 2.94Å; A191-L193 PolarHBondContact O-N 3.43Å; L193-E195 VanDerWaalsContact C-N 3.33Å; L193-E196 PolarHBondContact O-N 2.87Å; L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 PolarHBondContact O-N 2.87Å |
| 194 | E | 97.2 | Very high | 97.4 | Very high | 134 Ų | 134 | 99 Ų | 99 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 173.5 | -79 | -177.5 | -175.5 | 0 | 0 | 111.7 | S190 A191 L197 K198 | S190-E194 WeakPolarHBondContact O-CG 3.38Å; S190-E194 PolarHBondContact O-N 2.9Å; A191-E194 PolarHBondContact O-N 3.4Å; E194-L197 PolarHBondContact O-N 3.07Å; E194-K198 WeakPolarHBondContact O-CB 3.48Å; E194-K198 PolarHBondContact O-N 3.41Å |
| 195 | E | 97.3 | Very high | 97.3 | Very high | 125 Ų | 125 | 98.8 Ų | 98.8 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67 | -45.2 | 175.7 | -173.5 | 169.4 | -173.6 | 0 | 0 | 111.9 | A191 D192 L193 L197 K198 N199 | A191-E195 PolarHBondContact O-N 3.12Å; D192-E195 PolarHBondContact O-N 3.38Å; L193-E195 VanDerWaalsContact C-N 3.33Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.95Å; E195-K198 WeakPolarHBondContact O-CB 3.45Å; E195-K198 PolarHBondContact O-N 3.2Å; E195-N199 PolarHBondContact O-N 2.92Å; E195-N199 PolarHBondContact O-ND2 3.12Å |
| 196 | E | 97 | Very high | 97.2 | Very high | 123 Ų | 123 | 96.8 Ų | 96.8 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.4 | -45.5 | 173.9 | -75.4 | -170.4 | 166.8 | 0 | 0 | 111.8 | D192 L193 K198 N199 V200 | D192-E196 PolarHBondContact O-N 3.13Å; L193-E196 PolarHBondContact O-N 2.87Å; E196-K198 VanDerWaalsContact C-N 3.3Å; E196-K198 PolarHBondContact O-N 3.47Å; E196-N199 WeakPolarHBondContact O-CB 3.46Å; E196-N199 PolarHBondContact O-N 3.44Å; E196-N199 VanDerWaalsContact O-N 3.14Å; E196-V200 WeakPolarHBondContact O-CG2 3.39Å; E196-V200 PolarHBondContact O-N 3.32Å |
| 197 | L | 97.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -41.4 | 178.3 | -177 | 65.7 | 0 | 0 | 0 | 111.4 | L193 E194 E195 V200 T201 | L193-L197 VanDerWaalsContact O-CB 3.31Å; L193-L197 WeakPolarHBondContact O-CB 3.36Å; L193-L197 PolarHBondContact O-N 2.87Å; E194-L197 PolarHBondContact O-N 3.07Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.95Å; L197-V200 PolarHBondContact O-N 2.95Å; L197-T201 VanDerWaalsContact O-CB 3.3Å; L197-T201 WeakPolarHBondContact O-CB 3.34Å; L197-T201 PolarHBondContact O-N 3.35Å; L197-T201 PolarHBondContact O-OG1 3.43Å |
| 198 | K | 97.5 | Very high | 97 | Very high | 141 Ų | 141 | 97.5 Ų | 97.5 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 175.5 | -173.2 | -179.3 | 178.8 | -176.5 | 0 | 111.4 | E194 E195 E196 T201 N202 | E194-K198 WeakPolarHBondContact O-CB 3.48Å; E194-K198 PolarHBondContact O-N 3.41Å; E195-K198 WeakPolarHBondContact O-CB 3.45Å; E195-K198 PolarHBondContact O-N 3.2Å; E196-K198 VanDerWaalsContact C-N 3.3Å; E196-K198 PolarHBondContact O-N 3.47Å; K198-T201 PolarHBondContact O-N 3.12Å; K198-N202 VanDerWaalsContact O-CG 3.27Å; K198-N202 PolarHBondContact O-N 3.09Å; K198-N202 PolarHBondContact O-ND2 3.16Å |
| 199 | N | 97.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 97.1 Ų | 97.1 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 177.3 | -71.3 | -27 | 0 | 0 | 0 | 111.9 | E195 E196 T201 N202 N203 | E195-N199 PolarHBondContact O-N 2.92Å; E195-N199 PolarHBondContact O-ND2 3.12Å; E196-N199 WeakPolarHBondContact O-CB 3.46Å; E196-N199 PolarHBondContact O-N 3.44Å; E196-N199 VanDerWaalsContact O-N 3.14Å; N199-T201 VanDerWaalsContact C-N 3.34Å; N199-T201 PolarHBondContact O-N 2.88Å; N199-N202 PolarHBondContact O-N 3.47Å; N199-N203 PolarHBondContact O-N 3.35Å |
| 200 | V | 97.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 95.1 Ų | 95.1 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | E196 L197 N202 N203 L204 | E196-V200 WeakPolarHBondContact O-CG2 3.39Å; E196-V200 PolarHBondContact O-N 3.32Å; L197-V200 PolarHBondContact O-N 2.95Å; V200-N202 VanDerWaalsContact C-N 3.33Å; V200-N202 PolarHBondContact O-N 2.85Å; V200-N203 PolarHBondContact O-N 3.34Å; V200-L204 WeakPolarHBondContact O-CB 3.45Å; V200-L204 PolarHBondContact O-N 3.17Å |
| 201 | T | 97.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 95.2 Ų | 95.2 | 35% | 0.35 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | L197 K198 N199 L204 K205 | L197-T201 VanDerWaalsContact O-CB 3.3Å; L197-T201 WeakPolarHBondContact O-CB 3.34Å; L197-T201 PolarHBondContact O-N 3.35Å; L197-T201 PolarHBondContact O-OG1 3.43Å; K198-T201 PolarHBondContact O-N 3.12Å; N199-T201 VanDerWaalsContact C-N 3.34Å; N199-T201 PolarHBondContact O-N 2.88Å; T201-L204 PolarHBondContact O-N 2.95Å; T201-K205 WeakPolarHBondContact O-CG 3.45Å; T201-K205 PolarHBondContact O-N 3.16Å; T201-K205 VanDerWaalsContact O-N 3.1Å |
| 202 | N | 96.9 | Very high | 96.5 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 176.2 | -72.2 | -24.4 | 0 | 0 | 0 | 111.9 | K198 N199 V200 K205 S206 | K198-N202 VanDerWaalsContact O-CG 3.27Å; K198-N202 PolarHBondContact O-N 3.09Å; K198-N202 PolarHBondContact O-ND2 3.16Å; N199-N202 PolarHBondContact O-N 3.47Å; V200-N202 VanDerWaalsContact C-N 3.33Å; V200-N202 PolarHBondContact O-N 2.85Å; N202-K205 PolarHBondContact O-N 2.99Å; N202-S206 PolarHBondContact O-N 3.38Å; N202-S206 VanDerWaalsContact O-N 3.16Å |
| 203 | N | 96.6 | Very high | 96.4 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.3 | -73.3 | -18.9 | 0 | 0 | 0 | 111.8 | N199 V200 S206 L207 | N199-N203 PolarHBondContact O-N 3.35Å; V200-N203 PolarHBondContact O-N 3.34Å; N203-S206 WeakPolarHBondContact O-CB 3.34Å; N203-S206 PolarHBondContact O-N 3.03Å; N203-L207 PolarHBondContact O-N 3.44Å |
| 204 | L | 96.2 | Very high | 96.3 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 176.8 | -178.5 | 64.6 | 0 | 0 | 0 | 111.1 | V200 T201 S206 L207 E208 | V200-L204 WeakPolarHBondContact O-CB 3.45Å; V200-L204 PolarHBondContact O-N 3.17Å; T201-L204 PolarHBondContact O-N 2.95Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.35Å; L204-L207 CarbonylContact O-C 3.6Å; L204-L207 PolarHBondContact O-N 2.85Å; L204-E208 HydrophobicContact CD1-CG 4.37Å; L204-E208 HydrophobicContact CG-CG 4.36Å; L204-E208 WeakPolarHBondContact O-CG 3.4Å; L204-E208 PolarHBondContact O-N 3.25Å |
| 205 | K | 96.8 | Very high | 96.2 | Very high | 128 Ų | 128 | 99.7 Ų | 99.7 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.6 | -39.7 | 175.7 | -74.7 | 177.5 | -179.6 | 176.3 | 0 | 112.7 | T201 N202 A209 | T201-K205 WeakPolarHBondContact O-CG 3.45Å; T201-K205 PolarHBondContact O-N 3.16Å; T201-K205 VanDerWaalsContact O-N 3.1Å; N202-K205 PolarHBondContact O-N 2.99Å; K205-A209 WeakPolarHBondContact O-CB 3.49Å; K205-A209 PolarHBondContact O-N 3.43Å |
| 206 | S | 95.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 98.4 Ų | 98.4 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 112 | N202 N203 L204 Q210 | N202-S206 PolarHBondContact O-N 3.38Å; N202-S206 VanDerWaalsContact O-N 3.16Å; N203-S206 WeakPolarHBondContact O-CB 3.34Å; N203-S206 PolarHBondContact O-N 3.03Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.35Å; S206-Q210 WeakPolarHBondContact O-CG 3.42Å; S206-Q210 PolarHBondContact O-N 2.92Å |
| 207 | L | 95.6 | Very high | 96 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 177.2 | -73.9 | 171.2 | 0 | 0 | 0 | 111.8 | N203 L204 A209 Q210 A211 | N203-L207 PolarHBondContact O-N 3.44Å; L204-L207 CarbonylContact O-C 3.6Å; L204-L207 PolarHBondContact O-N 2.85Å; L207-A209 PolarHBondContact O-N 3.26Å; L207-Q210 WeakPolarHBondContact O-CB 3.49Å; L207-Q210 PolarHBondContact O-N 2.99Å; L207-Q210 VanDerWaalsContact O-N 3.14Å; L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 3.46Å |
| 208 | E | 94.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 173.9 | -73.9 | 174.7 | 163.8 | 0 | 0 | 110.8 | L204 Q210 A211 E212 | L204-E208 HydrophobicContact CD1-CG 4.37Å; L204-E208 HydrophobicContact CG-CG 4.36Å; L204-E208 WeakPolarHBondContact O-CG 3.4Å; L204-E208 PolarHBondContact O-N 3.25Å; E208-Q210 VanDerWaalsContact C-N 3.27Å; E208-Q210 PolarHBondContact O-N 3.47Å; E208-A211 PolarHBondContact O-N 3.32Å; E208-E212 PolarHBondContact O-N 3Å |
| 209 | A | 96.1 | Very high | 95.7 | Very high | 46 Ų | 46 | 95.7 Ų | 95.7 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | K205 L207 K213 | K205-A209 WeakPolarHBondContact O-CB 3.49Å; K205-A209 PolarHBondContact O-N 3.43Å; L207-A209 PolarHBondContact O-N 3.26Å; A209-K213 WeakPolarHBondContact O-CG 3.42Å; A209-K213 PolarHBondContact O-N 3.31Å |
| 210 | Q | 95.1 | Very high | 95.6 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.1 | -44.6 | 172.9 | -76.4 | 177.9 | 15.9 | 0 | 0 | 111.8 | S206 L207 E208 E212 K213 Y214 | S206-Q210 WeakPolarHBondContact O-CG 3.42Å; S206-Q210 PolarHBondContact O-N 2.92Å; L207-Q210 WeakPolarHBondContact O-CB 3.49Å; L207-Q210 PolarHBondContact O-N 2.99Å; L207-Q210 VanDerWaalsContact O-N 3.14Å; E208-Q210 VanDerWaalsContact C-N 3.27Å; E208-Q210 PolarHBondContact O-N 3.47Å; Q210-E212 VanDerWaalsContact C-N 3.32Å; Q210-E212 PolarHBondContact O-N 2.93Å; Q210-K213 WeakPolarHBondContact O-CB 3.36Å; Q210-K213 PolarHBondContact O-N 2.92Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.35Å; Q210-Y214 PolarHBondContact O-N 2.85Å |
| 211 | A | 94.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 100.8 Ų | 100.8 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L207 E208 K213 Y214 S215 | L207-A211 WeakPolarHBondContact O-CB 3.37Å; L207-A211 PolarHBondContact O-N 3.46Å; E208-A211 PolarHBondContact O-N 3.32Å; A211-K213 PolarHBondContact O-N 2.98Å; A211-Y214 PolarHBondContact O-N 2.93Å; A211-S215 WeakPolarHBondContact O-CB 3.35Å; A211-S215 PolarHBondContact O-N 3.27Å |
| 212 | E | 95.1 | Very high | 95.2 | Very high | 126 Ų | 126 | 102.8 Ų | 102.8 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 175.9 | -167.8 | 175.9 | -170.8 | 0 | 0 | 111.9 | E208 Q210 Y214 S215 Q216 | E208-E212 PolarHBondContact O-N 3Å; Q210-E212 VanDerWaalsContact C-N 3.32Å; Q210-E212 PolarHBondContact O-N 2.93Å; E212-Y214 PolarHBondContact O-N 3.5Å; E212-S215 PolarHBondContact O-N 3.31Å; E212-Q216 WeakPolarHBondContact O-CG 3.45Å; E212-Q216 PolarHBondContact O-N 3.49Å |
| 213 | K | 95.8 | Very high | 95.1 | Very high | 143 Ų | 143 | 104 Ų | 104 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | 173.7 | -77.8 | 176.7 | -177.6 | 177.3 | 0 | 113 | A209 Q210 A211 K217 | A209-K213 WeakPolarHBondContact O-CG 3.42Å; A209-K213 PolarHBondContact O-N 3.31Å; Q210-K213 WeakPolarHBondContact O-CB 3.36Å; Q210-K213 PolarHBondContact O-N 2.92Å; A211-K213 PolarHBondContact O-N 2.98Å; K213-K217 WeakPolarHBondContact O-CG 3.47Å; K213-K217 PolarHBondContact O-N 3.42Å |
| 214 | Y | 94.7 | Very high | 94.9 | Very high | 153 Ų | 153 | 104.4 Ų | 104.4 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70 | -42 | 177.5 | -80.1 | -64.5 | 0 | 0 | 0 | 111.4 | Q210 A211 E212 Q216 K217 E218 | Q210-Y214 WeakPolarHBondContact O-CD2 3.35Å; Q210-Y214 PolarHBondContact O-N 2.85Å; A211-Y214 PolarHBondContact O-N 2.93Å; E212-Y214 PolarHBondContact O-N 3.5Å; Y214-Q216 PolarHBondContact O-N 3.46Å; Y214-K217 WeakPolarHBondContact O-CB 3.33Å; Y214-K217 PolarHBondContact O-N 2.87Å; Y214-K217 VanDerWaalsContact O-N 3.08Å; Y214-E218 PolarHBondContact O-N 2.92Å |
| 215 | S | 95.9 | Very high | 94.8 | Very high | 55 Ų | 55 | 104.9 Ų | 104.9 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 173.4 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | A211 E212 K217 E218 D219 | A211-S215 WeakPolarHBondContact O-CB 3.35Å; A211-S215 PolarHBondContact O-N 3.27Å; E212-S215 PolarHBondContact O-N 3.31Å; S215-K217 PolarHBondContact O-N 3.31Å; S215-E218 WeakPolarHBondContact O-CB 3.37Å; S215-E218 PolarHBondContact O-N 2.92Å; S215-E218 VanDerWaalsContact O-N 3.1Å; S215-D219 VanDerWaalsContact O-CG 3.32Å; S215-D219 PolarHBondContact O-N 3.11Å |
| 216 | Q | 94.8 | Very high | 94.7 | Very high | 99 Ų | 99 | 104.2 Ų | 104.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -29.9 | 176.1 | -71.9 | 176.7 | 13.4 | 0 | 0 | 113.5 | E212 Y214 K220 | E212-Q216 WeakPolarHBondContact O-CG 3.45Å; E212-Q216 PolarHBondContact O-N 3.49Å; Y214-Q216 PolarHBondContact O-N 3.46Å; Q216-K220 WeakPolarHBondContact O-CG 3.41Å; Q216-K220 PolarHBondContact O-N 3.49Å |
| 217 | K | 94.7 | Very high | 94.7 | Very high | 111 Ų | 111 | 104 Ų | 104 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.2 | -41.5 | 173.3 | -77.6 | -179.8 | 178.6 | -177.6 | 0 | 111.1 | K213 Y214 S215 K220 Y221 | K213-K217 WeakPolarHBondContact O-CG 3.47Å; K213-K217 PolarHBondContact O-N 3.42Å; Y214-K217 WeakPolarHBondContact O-CB 3.33Å; Y214-K217 PolarHBondContact O-N 2.87Å; Y214-K217 VanDerWaalsContact O-N 3.08Å; S215-K217 PolarHBondContact O-N 3.31Å; K217-K220 PolarHBondContact O-N 2.83Å; K217-Y221 HydrophobicContact CB-CE2 4.34Å; K217-Y221 WeakPolarHBondContact O-CD2 3.4Å; K217-Y221 PolarHBondContact O-N 2.89Å |
| 218 | E | 94.1 | Very high | 94.5 | Very high | 117 Ų | 117 | 104.3 Ų | 104.3 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -49.7 | 175.6 | -170.3 | 171.9 | -169.4 | 0 | 0 | 110.6 | Y214 S215 K220 Y221 E222 | Y214-E218 PolarHBondContact O-N 2.92Å; S215-E218 WeakPolarHBondContact O-CB 3.37Å; S215-E218 PolarHBondContact O-N 2.92Å; S215-E218 VanDerWaalsContact O-N 3.1Å; E218-K220 VanDerWaalsContact C-N 3.29Å; E218-K220 PolarHBondContact O-N 3.14Å; E218-Y221 PolarHBondContact O-N 3.39Å; E218-Y221 VanDerWaalsContact O-N 3.09Å; E218-E222 PolarHBondContact O-N 3.1Å |
| 219 | D | 94.4 | Very high | 94.5 | Very high | 93 Ų | 93 | 102.1 Ų | 102.1 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.7 | -42.2 | 176.3 | -64.1 | -26.4 | 0 | 0 | 0 | 112.5 | S215 E222 E223 | S215-D219 VanDerWaalsContact O-CG 3.32Å; S215-D219 PolarHBondContact O-N 3.11Å; D219-E222 PolarHBondContact O-N 3.05Å; D219-E223 PolarHBondContact O-N 2.92Å |
| 220 | K | 94.7 | Very high | 94.4 | Very high | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 177.2 | -74.9 | 174.7 | -176.3 | 179.3 | 0 | 111.9 | Q216 K217 E218 E222 E223 E224 | Q216-K220 WeakPolarHBondContact O-CG 3.41Å; Q216-K220 PolarHBondContact O-N 3.49Å; K217-K220 PolarHBondContact O-N 2.83Å; E218-K220 VanDerWaalsContact C-N 3.29Å; E218-K220 PolarHBondContact O-N 3.14Å; K220-E222 VanDerWaalsContact C-N 3.35Å; K220-E223 PolarHBondContact O-N 2.98Å; K220-E224 WeakPolarHBondContact O-CG 3.41Å; K220-E224 PolarHBondContact O-N 3.32Å |
| 221 | Y | 93.2 | Very high | 94.3 | Very high | 142 Ų | 142 | 107.5 Ų | 107.5 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -37.7 | 177.8 | -70.7 | -44.4 | 0 | 0 | 0 | 111.6 | K217 E218 E223 E224 I225 | K217-Y221 HydrophobicContact CB-CE2 4.34Å; K217-Y221 WeakPolarHBondContact O-CD2 3.4Å; K217-Y221 PolarHBondContact O-N 2.89Å; E218-Y221 PolarHBondContact O-N 3.39Å; E218-Y221 VanDerWaalsContact O-N 3.09Å; Y221-E223 VanDerWaalsContact C-N 3.34Å; Y221-E223 PolarHBondContact O-N 3.46Å; Y221-E224 PolarHBondContact O-N 3.48Å; Y221-I225 WeakPolarHBondContact O-CB 3.38Å; Y221-I225 WeakPolarHBondContact O-CD1 3.3Å; Y221-I225 WeakPolarHBondContact O-CG1 3.32Å; Y221-I225 PolarHBondContact O-N 3.01Å |
| 222 | E | 94.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 109.5 Ų | 109.5 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 172.8 | -76.7 | -163.4 | 163.8 | 0 | 0 | 111.8 | E218 D219 K220 I225 K226 | E218-E222 PolarHBondContact O-N 3.1Å; D219-E222 PolarHBondContact O-N 3.05Å; K220-E222 VanDerWaalsContact C-N 3.35Å; E222-I225 PolarHBondContact O-N 3.18Å; E222-K226 WeakPolarHBondContact O-CG 3.29Å; E222-K226 PolarHBondContact O-N 3.37Å |
| 223 | E | 94 | Very high | 94.1 | Very high | 106 Ų | 106 | 109.7 Ų | 109.7 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 178.1 | -169.4 | 64.2 | -173.2 | 0 | 0 | 112 | D219 K220 Y221 I225 K226 V227 | D219-E223 PolarHBondContact O-N 2.92Å; K220-E223 PolarHBondContact O-N 2.98Å; Y221-E223 VanDerWaalsContact C-N 3.34Å; Y221-E223 PolarHBondContact O-N 3.46Å; E223-I225 VanDerWaalsContact C-N 3.31Å; E223-I225 PolarHBondContact O-N 2.9Å; E223-K226 PolarHBondContact O-N 3.29Å; E223-K226 IonicContact OE2-NZ 3.89Å; E223-V227 WeakPolarHBondContact O-CG2 3.46Å; E223-V227 PolarHBondContact O-N 2.94Å |
| 224 | E | 93.1 | Very high | 94 | Very high | 114 Ų | 114 | 109.4 Ų | 109.4 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 173 | -76.9 | -179.8 | -176.1 | 0 | 0 | 111.5 | K220 Y221 V227 L228 | K220-E224 WeakPolarHBondContact O-CG 3.41Å; K220-E224 PolarHBondContact O-N 3.32Å; Y221-E224 PolarHBondContact O-N 3.48Å; E224-V227 PolarHBondContact O-N 3.06Å; E224-L228 WeakPolarHBondContact O-CB 3.42Å; E224-L228 VanDerWaalsContact O-CG 3.26Å; E224-L228 WeakPolarHBondContact O-CG 3.48Å; E224-L228 PolarHBondContact O-N 3.16Å |
| 225 | I | 93.7 | Very high | 93.9 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.1 | -72.7 | 165.8 | 0 | 0 | 0 | 110.7 | Y221 E222 E223 L228 T229 | Y221-I225 WeakPolarHBondContact O-CB 3.38Å; Y221-I225 WeakPolarHBondContact O-CD1 3.3Å; Y221-I225 WeakPolarHBondContact O-CG1 3.32Å; Y221-I225 PolarHBondContact O-N 3.01Å; E222-I225 PolarHBondContact O-N 3.18Å; E223-I225 VanDerWaalsContact C-N 3.31Å; E223-I225 PolarHBondContact O-N 2.9Å; I225-L228 PolarHBondContact O-N 2.87Å; I225-T229 VanDerWaalsContact O-CB 3.29Å; I225-T229 WeakPolarHBondContact O-CB 3.33Å; I225-T229 PolarHBondContact O-N 3.34Å; I225-T229 PolarHBondContact O-OG1 3.49Å |
| 226 | K | 94.6 | Very high | 93.6 | Very high | 113 Ų | 113 | 106.9 Ų | 106.9 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -50.2 | 176.3 | -76.5 | 174.7 | -169.1 | 160.3 | 0 | 111.5 | E222 E223 L228 T229 E230 | E222-K226 WeakPolarHBondContact O-CG 3.29Å; E222-K226 PolarHBondContact O-N 3.37Å; E223-K226 PolarHBondContact O-N 3.29Å; E223-K226 IonicContact OE2-NZ 3.89Å; K226-L228 VanDerWaalsContact C-N 3.35Å; K226-L228 PolarHBondContact O-N 3.43Å; K226-T229 WeakPolarHBondContact O-CB 3.27Å; K226-T229 PolarHBondContact O-N 3.41Å; K226-T229 VanDerWaalsContact O-N 3.13Å; K226-E230 PolarHBondContact O-N 3.01Å |
| 227 | V | 94.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 106.1 Ų | 106.1 | 35% | 0.345 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | E223 E224 T229 E230 K231 | E223-V227 WeakPolarHBondContact O-CG2 3.46Å; E223-V227 PolarHBondContact O-N 2.94Å; E224-V227 PolarHBondContact O-N 3.06Å; V227-T229 VanDerWaalsContact C-N 3.32Å; V227-E230 PolarHBondContact O-N 2.72Å; V227-K231 HydrophobicContact CG1-CD 4.41Å; V227-K231 WeakPolarHBondContact O-CG 3.45Å; V227-K231 PolarHBondContact O-N 3.18Å |
| 228 | L | 93 | Very high | 93.4 | Very high | 112 Ų | 112 | 110.4 Ų | 110.4 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -37.7 | 176.4 | -73.2 | 172.2 | 0 | 0 | 0 | 111.8 | E224 I225 K226 K231 L232 | E224-L228 WeakPolarHBondContact O-CB 3.42Å; E224-L228 VanDerWaalsContact O-CG 3.26Å; E224-L228 WeakPolarHBondContact O-CG 3.48Å; E224-L228 PolarHBondContact O-N 3.16Å; I225-L228 PolarHBondContact O-N 2.87Å; K226-L228 VanDerWaalsContact C-N 3.35Å; K226-L228 PolarHBondContact O-N 3.43Å; L228-K231 PolarHBondContact O-N 2.9Å; L228-L232 WeakPolarHBondContact O-CB 3.3Å; L228-L232 PolarHBondContact O-N 3.43Å |
| 229 | T | 93.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 107.1 Ų | 107.1 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | I225 K226 V227 L232 K233 | I225-T229 VanDerWaalsContact O-CB 3.29Å; I225-T229 WeakPolarHBondContact O-CB 3.33Å; I225-T229 PolarHBondContact O-N 3.34Å; I225-T229 PolarHBondContact O-OG1 3.49Å; K226-T229 WeakPolarHBondContact O-CB 3.27Å; K226-T229 PolarHBondContact O-N 3.41Å; K226-T229 VanDerWaalsContact O-N 3.13Å; V227-T229 VanDerWaalsContact C-N 3.32Å; T229-L232 PolarHBondContact O-N 2.84Å; T229-K233 PolarHBondContact O-N 3.32Å |
| 230 | E | 93.7 | Very high | 93 | Very high | 128 Ų | 128 | 107.8 Ų | 107.8 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -47.6 | 174.4 | -73.4 | -178.2 | 168.5 | 0 | 0 | 111.5 | K226 V227 L232 K233 E234 | K226-E230 PolarHBondContact O-N 3.01Å; V227-E230 PolarHBondContact O-N 2.72Å; E230-L232 VanDerWaalsContact C-N 3.26Å; E230-L232 PolarHBondContact O-N 2.9Å; E230-K233 PolarHBondContact O-N 3.23Å; E230-K233 VanDerWaalsContact O-N 3.14Å; E230-E234 PolarHBondContact O-N 2.96Å |
| 231 | K | 93.2 | Very high | 92.9 | Very high | 126 Ų | 126 | 108.2 Ų | 108.2 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 174.8 | -76.6 | -179.6 | 179.1 | 177.9 | 0 | 112.6 | V227 L228 E234 A235 | V227-K231 HydrophobicContact CG1-CD 4.41Å; V227-K231 WeakPolarHBondContact O-CG 3.45Å; V227-K231 PolarHBondContact O-N 3.18Å; L228-K231 PolarHBondContact O-N 2.9Å; K231-E234 PolarHBondContact O-N 2.92Å; K231-A235 WeakPolarHBondContact O-CB 3.1Å; K231-A235 PolarHBondContact O-N 3.32Å |
| 232 | L | 92.6 | Very high | 92.7 | Very high | 102 Ų | 102 | 103.8 Ų | 103.8 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 175.8 | -177.5 | 65.4 | 0 | 0 | 0 | 110.6 | L228 T229 E230 E234 A235 E236 | L228-L232 WeakPolarHBondContact O-CB 3.3Å; L228-L232 PolarHBondContact O-N 3.43Å; T229-L232 PolarHBondContact O-N 2.84Å; E230-L232 VanDerWaalsContact C-N 3.26Å; E230-L232 PolarHBondContact O-N 2.9Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 3.14Å; L232-A235 WeakPolarHBondContact O-CB 3.5Å; L232-A235 PolarHBondContact O-N 3.37Å; L232-A235 VanDerWaalsContact O-N 3.16Å; L232-E236 HydrophobicContact CD1-CG 4.47Å; L232-E236 HydrophobicContact CG-CG 4.41Å; L232-E236 WeakPolarHBondContact O-CB 3.21Å; L232-E236 VanDerWaalsContact O-CG 3.31Å; L232-E236 WeakPolarHBondContact O-CG 3.39Å; L232-E236 PolarHBondContact O-N 2.84Å |
| 233 | K | 94.3 | Very high | 92.4 | Very high | 130 Ų | 130 | 105.6 Ų | 105.6 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.5 | -40.7 | 176.2 | -74 | 179 | 179.2 | 177.2 | 0 | 113 | T229 E230 E236 T237 | T229-K233 PolarHBondContact O-N 3.32Å; E230-K233 PolarHBondContact O-N 3.23Å; E230-K233 VanDerWaalsContact O-N 3.14Å; K233-E236 PolarHBondContact O-N 2.77Å; K233-T237 WeakPolarHBondContact O-CB 3.48Å; K233-T237 WeakPolarHBondContact O-CG2 3.25Å; K233-T237 PolarHBondContact O-N 2.97Å; K233-T237 PolarHBondContact O-OG1 3.48Å |
| 234 | E | 92.9 | Very high | 92.2 | Very high | 137 Ų | 137 | 109.4 Ų | 109.4 | 64% | 0.64 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 174.7 | -72.4 | -176.9 | 172.9 | 0 | 0 | 111.7 | E230 K231 L232 T237 R238 | E230-E234 PolarHBondContact O-N 2.96Å; K231-E234 PolarHBondContact O-N 2.92Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 3.14Å; E234-T237 WeakPolarHBondContact CA-OG1 3.45Å; E234-T237 PolarHBondContact O-OG1 3.02Å; E234-R238 VanDerWaalsContact O-CB 3.25Å; E234-R238 WeakPolarHBondContact O-CB 3.47Å; E234-R238 PolarHBondContact O-N 3.18Å |
| 235 | A | 91.6 | Very high | 92 | Very high | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K231 L232 R238 A239 | K231-A235 WeakPolarHBondContact O-CB 3.1Å; K231-A235 PolarHBondContact O-N 3.32Å; L232-A235 WeakPolarHBondContact O-CB 3.5Å; L232-A235 PolarHBondContact O-N 3.37Å; L232-A235 VanDerWaalsContact O-N 3.16Å; A235-R238 PolarHBondContact O-N 2.83Å; A235-A239 WeakPolarHBondContact O-CB 3.46Å; A235-A239 PolarHBondContact O-N 2.89Å |
| 236 | E | 91.1 | Very high | 91.9 | Very high | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -52.2 | 175.4 | -74.8 | 173.7 | 162.2 | 0 | 0 | 111.3 | L232 K233 R238 A239 E240 | L232-E236 HydrophobicContact CD1-CG 4.47Å; L232-E236 HydrophobicContact CG-CG 4.41Å; L232-E236 WeakPolarHBondContact O-CB 3.21Å; L232-E236 VanDerWaalsContact O-CG 3.31Å; L232-E236 WeakPolarHBondContact O-CG 3.39Å; L232-E236 PolarHBondContact O-N 2.84Å; K233-E236 PolarHBondContact O-N 2.77Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 3.05Å; E236-A239 WeakPolarHBondContact O-CB 3.35Å; E236-A239 PolarHBondContact O-N 3.38Å; E236-A239 VanDerWaalsContact O-N 3.08Å; E236-E240 WeakPolarHBondContact O-CG 3.35Å; E236-E240 PolarHBondContact O-N 2.93Å |
| 237 | T | 92.6 | Very high | 91.5 | Very high | 82 Ų | 82 | 101.9 Ų | 101.9 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 178.3 | 50.4 | 0 | 0 | 0 | 0 | 112.5 | K233 E234 F241 | K233-T237 WeakPolarHBondContact O-CB 3.48Å; K233-T237 WeakPolarHBondContact O-CG2 3.25Å; K233-T237 PolarHBondContact O-N 2.97Å; K233-T237 PolarHBondContact O-OG1 3.48Å; E234-T237 WeakPolarHBondContact CA-OG1 3.45Å; E234-T237 PolarHBondContact O-OG1 3.02Å; T237-F241 WeakPolarHBondContact O-CB 3.3Å; T237-F241 PolarHBondContact O-N 3.48Å |
| 238 | R | 92.2 | Very high | 91.3 | Very high | 201 Ų | 201 | 106.7 Ų | 106.7 | 76% | 0.758 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 173.5 | -174.8 | 176.3 | -179.2 | 173.7 | 0.6 | 111.9 | E234 A235 E236 F241 A242 | E234-R238 VanDerWaalsContact O-CB 3.25Å; E234-R238 WeakPolarHBondContact O-CB 3.47Å; E234-R238 PolarHBondContact O-N 3.18Å; A235-R238 PolarHBondContact O-N 2.83Å; E236-R238 VanDerWaalsContact C-N 3.28Å; E236-R238 PolarHBondContact O-N 3.05Å; R238-F241 PolarHBondContact O-N 3.37Å; R238-A242 WeakPolarHBondContact O-CB 3.48Å; R238-A242 PolarHBondContact O-N 3.5Å |
| 239 | A | 90.5 | Very high | 91 | Very high | 48 Ų | 48 | 106.7 Ų | 106.7 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A235 E236 F241 A242 E243 | A235-A239 WeakPolarHBondContact O-CB 3.46Å; A235-A239 PolarHBondContact O-N 2.89Å; E236-A239 WeakPolarHBondContact O-CB 3.35Å; E236-A239 PolarHBondContact O-N 3.38Å; E236-A239 VanDerWaalsContact O-N 3.08Å; A239-F241 VanDerWaalsContact C-N 3.3Å; A239-F241 PolarHBondContact O-N 3.11Å; A239-A242 WeakPolarHBondContact O-CB 3.35Å; A239-A242 PolarHBondContact O-N 2.79Å; A239-A242 VanDerWaalsContact O-N 3.1Å; A239-E243 WeakPolarHBondContact O-CG 3.22Å; A239-E243 PolarHBondContact O-N 3.45Å |
| 240 | E | 90.4 | Very high | 90.6 | Very high | 108 Ų | 108 | 108.9 Ų | 108.9 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.5 | -41.2 | 175 | -73.1 | -176.6 | 176.5 | 0 | 0 | 112.3 | E236 E243 R244 | E236-E240 WeakPolarHBondContact O-CG 3.35Å; E236-E240 PolarHBondContact O-N 2.93Å; E240-E243 PolarHBondContact O-N 3.43Å; E240-R244 WeakPolarHBondContact O-CG 3.37Å; E240-R244 PolarHBondContact O-N 2.84Å |
| 241 | F | 91.2 | Very high | 90.4 | Very high | 146 Ų | 146 | 109.1 Ų | 109.1 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.9 | -40.9 | 176.5 | -173.3 | -91.1 | 0 | 0 | 0 | 112.2 | T237 R238 A239 R244 S245 | T237-F241 WeakPolarHBondContact O-CB 3.3Å; T237-F241 PolarHBondContact O-N 3.48Å; R238-F241 PolarHBondContact O-N 3.37Å; A239-F241 VanDerWaalsContact C-N 3.3Å; A239-F241 PolarHBondContact O-N 3.11Å; F241-R244 PolarHBondContact O-N 3.31Å; F241-S245 WeakPolarHBondContact O-CB 3.43Å; F241-S245 PolarHBondContact O-N 3.5Å; F241-S245 PolarHBondContact O-OG 3Å |
| 242 | A | 89.2 | Confident | 90 | Very high | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R238 A239 R244 S245 V246 | R238-A242 WeakPolarHBondContact O-CB 3.48Å; R238-A242 PolarHBondContact O-N 3.5Å; A239-A242 WeakPolarHBondContact O-CB 3.35Å; A239-A242 PolarHBondContact O-N 2.79Å; A239-A242 VanDerWaalsContact O-N 3.1Å; A242-R244 PolarHBondContact O-N 2.82Å; A242-S245 WeakPolarHBondContact O-CB 3.45Å; A242-S245 PolarHBondContact O-N 3.25Å; A242-S245 VanDerWaalsContact O-N 3.12Å; A242-V246 WeakPolarHBondContact O-CG2 3.47Å; A242-V246 PolarHBondContact O-N 3.33Å |
| 243 | E | 89.3 | Confident | 89.7 | Confident | 136 Ų | 136 | 105.7 Ų | 105.7 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.1 | -45.7 | 175.9 | -73.8 | 178.1 | 176.5 | 0 | 0 | 112 | A239 E240 S245 V246 A247 | A239-E243 WeakPolarHBondContact O-CG 3.22Å; A239-E243 PolarHBondContact O-N 3.45Å; E240-E243 PolarHBondContact O-N 3.43Å; E243-S245 VanDerWaalsContact C-N 3.3Å; E243-S245 PolarHBondContact O-N 3.42Å; E243-V246 PolarHBondContact O-N 2.85Å; E243-A247 PolarHBondContact O-N 2.91Å |
| 244 | R | 89.1 | Confident | 89.3 | Confident | 187 Ų | 187 | 103.9 Ų | 103.9 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -38.5 | 174.1 | -75.7 | -177.2 | -176.7 | -179.8 | 5.1 | 112.7 | E240 F241 A242 K248 | E240-R244 WeakPolarHBondContact O-CG 3.37Å; E240-R244 PolarHBondContact O-N 2.84Å; F241-R244 PolarHBondContact O-N 3.31Å; A242-R244 PolarHBondContact O-N 2.82Å; R244-K248 WeakPolarHBondContact O-CB 3.36Å; R244-K248 PolarHBondContact O-N 3.45Å |
| 245 | S | 89.8 | Confident | 88.9 | Confident | 43 Ų | 43 | 101.6 Ų | 101.6 | 30% | 0.301 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -42 | 178.2 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | F241 A242 E243 K248 L249 | F241-S245 WeakPolarHBondContact O-CB 3.43Å; F241-S245 PolarHBondContact O-N 3.5Å; F241-S245 PolarHBondContact O-OG 3Å; A242-S245 WeakPolarHBondContact O-CB 3.45Å; A242-S245 PolarHBondContact O-N 3.25Å; A242-S245 VanDerWaalsContact O-N 3.12Å; E243-S245 VanDerWaalsContact C-N 3.3Å; E243-S245 PolarHBondContact O-N 3.42Å; S245-K248 PolarHBondContact O-N 2.99Å; S245-L249 WeakPolarHBondContact O-CG 3.43Å; S245-L249 PolarHBondContact O-N 3.29Å |
| 246 | V | 89.6 | Confident | 88.5 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -52.4 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 110.2 | A242 E243 K248 L249 E250 | A242-V246 WeakPolarHBondContact O-CG2 3.47Å; A242-V246 PolarHBondContact O-N 3.33Å; E243-V246 PolarHBondContact O-N 2.85Å; V246-K248 PolarHBondContact O-N 3.39Å; V246-L249 CarbonylContact O-C 3.58Å; V246-L249 WeakPolarHBondContact O-CB 3.32Å; V246-L249 PolarHBondContact O-N 2.83Å; V246-E250 HydrophobicContact CG1-CG 4.21Å; V246-E250 WeakPolarHBondContact O-CG 3.34Å; V246-E250 PolarHBondContact O-N 3.49Å |
| 247 | A | 87.4 | Confident | 88.1 | Confident | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.6 | -35.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E243 K251 | E243-A247 PolarHBondContact O-N 2.91Å; A247-K251 PolarHBondContact O-N 2.94Å |
| 248 | K | 89.7 | Confident | 87.7 | Confident | 159 Ų | 159 | 106.1 Ų | 106.1 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.3 | -41.5 | 175.3 | -169 | 179 | -178.8 | -176 | 0 | 112.2 | R244 S245 V246 T252 | R244-K248 WeakPolarHBondContact O-CB 3.36Å; R244-K248 PolarHBondContact O-N 3.45Å; S245-K248 PolarHBondContact O-N 2.99Å; V246-K248 PolarHBondContact O-N 3.39Å; K248-T252 PolarHBondContact O-N 2.89Å; K248-T252 PolarHBondContact O-OG1 3.32Å |
| 249 | L | 86.6 | Confident | 87.1 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 175.4 | -73.6 | 170.5 | 0 | 0 | 0 | 110.9 | S245 V246 K251 T252 I253 | S245-L249 WeakPolarHBondContact O-CG 3.43Å; S245-L249 PolarHBondContact O-N 3.29Å; V246-L249 CarbonylContact O-C 3.58Å; V246-L249 WeakPolarHBondContact O-CB 3.32Å; V246-L249 PolarHBondContact O-N 2.83Å; L249-K251 PolarHBondContact O-N 3.47Å; L249-T252 CarbonylContact O-C 3.59Å; L249-T252 WeakPolarHBondContact O-CB 3.44Å; L249-T252 PolarHBondContact O-N 2.94Å; L249-T252 VanDerWaalsContact O-N 3.08Å; L249-I253 WeakPolarHBondContact O-CG1 3.45Å; L249-I253 PolarHBondContact O-N 2.86Å |
| 250 | E | 86.4 | Confident | 86.6 | Confident | 110 Ų | 110 | 104.5 Ų | 104.5 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.9 | -49.2 | 174 | -74.2 | 176.4 | 160.1 | 0 | 0 | 111.1 | V246 T252 I253 D254 | V246-E250 HydrophobicContact CG1-CG 4.21Å; V246-E250 WeakPolarHBondContact O-CG 3.34Å; V246-E250 PolarHBondContact O-N 3.49Å; E250-T252 VanDerWaalsContact C-N 3.27Å; E250-T252 PolarHBondContact O-N 3.25Å; E250-I253 WeakPolarHBondContact O-CA 3.42Å; E250-I253 WeakPolarHBondContact O-CB 3.35Å; E250-I253 PolarHBondContact O-N 2.9Å; E250-D254 PolarHBondContact O-N 3.44Å |
| 251 | K | 89.5 | Confident | 86.2 | Confident | 133 Ų | 133 | 106.4 Ų | 106.4 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.3 | -39.7 | 174.6 | -175.4 | -178.9 | 177.1 | -175.7 | 0 | 112.9 | A247 L249 I253 D254 D255 | A247-K251 PolarHBondContact O-N 2.94Å; L249-K251 PolarHBondContact O-N 3.47Å; K251-I253 VanDerWaalsContact C-N 3.29Å; K251-D254 PolarHBondContact O-N 3.25Å; K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 VanDerWaalsContact O-CG 3.24Å; K251-D255 PolarHBondContact O-N 3.4Å |
| 252 | T | 85.1 | Confident | 85.6 | Confident | 66 Ų | 66 | 102.2 Ų | 102.2 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -34.2 | 178.6 | -46.8 | 0 | 0 | 0 | 0 | 110.9 | K248 L249 E250 L256 | K248-T252 PolarHBondContact O-N 2.89Å; K248-T252 PolarHBondContact O-OG1 3.32Å; L249-T252 CarbonylContact O-C 3.59Å; L249-T252 WeakPolarHBondContact O-CB 3.44Å; L249-T252 PolarHBondContact O-N 2.94Å; L249-T252 VanDerWaalsContact O-N 3.08Å; E250-T252 VanDerWaalsContact C-N 3.27Å; E250-T252 PolarHBondContact O-N 3.25Å; T252-L256 HydrophobicContact CG2-CD1 4.3Å; T252-L256 WeakPolarHBondContact O-CB 3.35Å; T252-L256 WeakPolarHBondContact O-CD1 3.5Å; T252-L256 WeakPolarHBondContact O-CG 3.45Å; T252-L256 PolarHBondContact O-N 3.35Å |
| 253 | I | 85.6 | Confident | 85 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 46% | 0.456 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 172.6 | -69.9 | 166.1 | 0 | 0 | 0 | 109.5 | L249 E250 K251 D255 L256 E257 | L249-I253 WeakPolarHBondContact O-CG1 3.45Å; L249-I253 PolarHBondContact O-N 2.86Å; E250-I253 WeakPolarHBondContact O-CA 3.42Å; E250-I253 WeakPolarHBondContact O-CB 3.35Å; E250-I253 PolarHBondContact O-N 2.9Å; K251-I253 VanDerWaalsContact C-N 3.29Å; I253-D255 PolarHBondContact O-N 2.94Å; I253-L256 CarbonylContact O-C 3.58Å; I253-L256 PolarHBondContact O-N 2.99Å; I253-L256 VanDerWaalsContact O-N 3.13Å; I253-E257 HydrophobicContact CG2-CG 4.19Å; I253-E257 WeakPolarHBondContact O-CB 3.35Å; I253-E257 WeakPolarHBondContact O-CG 3.44Å; I253-E257 PolarHBondContact O-N 2.83Å |
| 254 | D | 85.7 | Confident | 84.3 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 177.4 | -65.5 | -21.5 | 0 | 0 | 0 | 111.2 | E250 K251 L256 E257 D258 | E250-D254 PolarHBondContact O-N 3.44Å; K251-D254 PolarHBondContact O-N 3.25Å; D254-L256 VanDerWaalsContact C-N 3.3Å; D254-L256 PolarHBondContact O-N 3.47Å; D254-E257 PolarHBondContact O-N 3.38Å; D254-D258 PolarHBondContact O-N 3.31Å |
| 255 | D | 85.1 | Confident | 83.8 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.9 | -70.1 | -25.1 | 0 | 0 | 0 | 111.5 | K251 I253 E259 | K251-D255 WeakPolarHBondContact O-CB 3.46Å; K251-D255 VanDerWaalsContact O-CG 3.24Å; K251-D255 PolarHBondContact O-N 3.4Å; I253-D255 PolarHBondContact O-N 2.94Å; D255-E259 PolarHBondContact O-N 3.44Å; D255-E259 VanDerWaalsContact O-N 3.12Å |
| 256 | L | 82.1 | Confident | 83.2 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.5 | -37 | 177 | -75.8 | 170 | 0 | 0 | 0 | 112.6 | T252 I253 D254 E259 V260 | T252-L256 HydrophobicContact CG2-CD1 4.3Å; T252-L256 WeakPolarHBondContact O-CB 3.35Å; T252-L256 WeakPolarHBondContact O-CD1 3.5Å; T252-L256 WeakPolarHBondContact O-CG 3.45Å; T252-L256 PolarHBondContact O-N 3.35Å; I253-L256 CarbonylContact O-C 3.58Å; I253-L256 PolarHBondContact O-N 2.99Å; I253-L256 VanDerWaalsContact O-N 3.13Å; D254-L256 VanDerWaalsContact C-N 3.3Å; D254-L256 PolarHBondContact O-N 3.47Å; L256-E259 PolarHBondContact O-N 2.9Å; L256-V260 WeakPolarHBondContact O-CB 2.92Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.39Å; L256-V260 PolarHBondContact O-N 3.5Å |
| 257 | E | 82.5 | Confident | 82.3 | Confident | 124 Ų | 124 | 104.7 Ų | 104.7 | 58% | 0.579 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 175.7 | -77.1 | -170.6 | 169.7 | 0 | 0 | 110.9 | I253 D254 E259 V260 Y261 | I253-E257 HydrophobicContact CG2-CG 4.19Å; I253-E257 WeakPolarHBondContact O-CB 3.35Å; I253-E257 WeakPolarHBondContact O-CG 3.44Å; I253-E257 PolarHBondContact O-N 2.83Å; D254-E257 PolarHBondContact O-N 3.38Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E257-E259 PolarHBondContact O-N 3.06Å; E257-V260 PolarHBondContact O-N 2.93Å; E257-Y261 WeakPolarHBondContact O-CB 3.26Å; E257-Y261 PolarHBondContact O-N 3.45Å |
| 258 | D | 84.4 | Confident | 81.7 | Confident | 116 Ų | 116 | 108.4 Ų | 108.4 | 62% | 0.62 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 172.5 | -85.7 | -12.8 | 0 | 0 | 0 | 111.5 | D254 Y261 A262 | D254-D258 PolarHBondContact O-N 3.31Å; D258-Y261 PolarHBondContact O-N 2.95Å; D258-A262 WeakPolarHBondContact O-CB 3.44Å; D258-A262 PolarHBondContact O-N 3.43Å |
| 259 | E | 80.2 | Confident | 80.9 | Confident | 117 Ų | 117 | 103.2 Ų | 103.2 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 177.5 | -168.1 | 166.2 | -158 | 0 | 0 | 112 | D255 L256 E257 A262 Q263 | D255-E259 PolarHBondContact O-N 3.44Å; D255-E259 VanDerWaalsContact O-N 3.12Å; L256-E259 PolarHBondContact O-N 2.9Å; E257-E259 VanDerWaalsContact C-N 3.34Å; E257-E259 PolarHBondContact O-N 3.06Å; E259-A262 PolarHBondContact O-N 2.88Å; E259-Q263 VanDerWaalsContact O-CG 3.29Å; E259-Q263 WeakPolarHBondContact O-CG 3.37Å; E259-Q263 PolarHBondContact O-N 2.96Å |
| 260 | V | 79.9 | Confident | 80 | Confident | 97 Ų | 97 | 103.2 Ų | 103.2 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 173.9 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | L256 E257 Q263 K264 | L256-V260 WeakPolarHBondContact O-CB 2.92Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.39Å; L256-V260 PolarHBondContact O-N 3.5Å; E257-V260 PolarHBondContact O-N 2.93Å; V260-Q263 PolarHBondContact O-N 3.5Å; V260-K264 WeakPolarHBondContact O-CB 3.48Å; V260-K264 PolarHBondContact O-N 2.87Å |
| 261 | Y | 82.2 | Confident | 79.1 | Confident | 149 Ų | 149 | 100.8 Ų | 100.8 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 177.2 | -171.9 | -100.5 | 0 | 0 | 0 | 111.3 | E257 D258 Q263 K264 L265 | E257-Y261 WeakPolarHBondContact O-CB 3.26Å; E257-Y261 PolarHBondContact O-N 3.45Å; D258-Y261 PolarHBondContact O-N 2.95Å; Y261-Q263 PolarHBondContact O-N 3.2Å; Y261-K264 PolarHBondContact O-N 2.89Å; Y261-L265 HydrophobicContact CD1-CD1 3.83Å; Y261-L265 HydrophobicContact CD1-CG 4.49Å; Y261-L265 HydrophobicContact CE1-CD1 3.44Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.44Å; Y261-L265 HydrophobicContact CE1-CG 4.13Å; Y261-L265 PolarHBondContact O-N 3.49Å |
| 262 | A | 78.9 | Confident | 78.2 | Confident | 57 Ų | 57 | 99.7 Ų | 99.7 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D258 E259 K264 L265 K266 | D258-A262 WeakPolarHBondContact O-CB 3.44Å; D258-A262 PolarHBondContact O-N 3.43Å; E259-A262 PolarHBondContact O-N 2.88Å; A262-K264 VanDerWaalsContact C-N 3.34Å; A262-K264 PolarHBondContact O-N 3.3Å; A262-L265 PolarHBondContact O-N 2.86Å; A262-K266 PolarHBondContact O-N 2.93Å |
| 263 | Q | 75.6 | Confident | 77.3 | Confident | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 175.2 | -70.9 | -67.4 | -6.6 | 0 | 0 | 112.3 | E259 V260 Y261 K266 G267 | E259-Q263 VanDerWaalsContact O-CG 3.29Å; E259-Q263 WeakPolarHBondContact O-CG 3.37Å; E259-Q263 PolarHBondContact O-N 2.96Å; V260-Q263 PolarHBondContact O-N 3.5Å; Y261-Q263 PolarHBondContact O-N 3.2Å; Q263-K266 WeakPolarHBondContact O-CB 3.21Å; Q263-K266 PolarHBondContact O-N 2.95Å; Q263-G267 PolarHBondContact O-N 3.27Å |
| 264 | K | 76 | Confident | 76.3 | Confident | 158 Ų | 158 | 103.9 Ų | 103.9 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -41.4 | 177.9 | -164.2 | 178.5 | -175.7 | -179.4 | 0 | 111.9 | V260 Y261 A262 K266 G267 K268 | V260-K264 WeakPolarHBondContact O-CB 3.48Å; V260-K264 PolarHBondContact O-N 2.87Å; Y261-K264 PolarHBondContact O-N 2.89Å; A262-K264 VanDerWaalsContact C-N 3.34Å; A262-K264 PolarHBondContact O-N 3.3Å; K264-K266 VanDerWaalsContact C-N 3.33Å; K264-G267 PolarHBondContact O-N 3.07Å; K264-K268 WeakPolarHBondContact O-CB 3.45Å; K264-K268 PolarHBondContact O-N 3.05Å |
| 265 | L | 78 | Confident | 75.3 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 171.3 | -83.5 | 167.8 | 0 | 0 | 0 | 111.4 | Y261 A262 K268 A269 | Y261-L265 HydrophobicContact CD1-CD1 3.83Å; Y261-L265 HydrophobicContact CD1-CG 4.49Å; Y261-L265 HydrophobicContact CE1-CD1 3.44Å; Y261-L265 VanDerWaalsContact CE1-CD1 3.44Å; Y261-L265 HydrophobicContact CE1-CG 4.13Å; Y261-L265 PolarHBondContact O-N 3.49Å; A262-L265 PolarHBondContact O-N 2.86Å; L265-K268 PolarHBondContact O-N 2.94Å; L265-A269 PolarHBondContact O-N 3.16Å |
| 266 | K | 75.9 | Confident | 74.3 | Confident | 137 Ų | 137 | 105.1 Ų | 105.1 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | 176 | -134.3 | 176.7 | -173.7 | 178.2 | 0 | 112.2 | A262 Q263 K264 K268 A269 L270 | A262-K266 PolarHBondContact O-N 2.93Å; Q263-K266 WeakPolarHBondContact O-CB 3.21Å; Q263-K266 PolarHBondContact O-N 2.95Å; K264-K266 VanDerWaalsContact C-N 3.33Å; K266-K268 VanDerWaalsContact C-N 3.32Å; K266-K268 PolarHBondContact O-N 3.36Å; K266-A269 PolarHBondContact O-N 3.42Å; K266-L270 PolarHBondContact O-N 2.98Å |
| 267 | G | 70.8 | Confident | 73.3 | Confident | 40 Ų | 40 | 103 Ų | 103 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q263 K264 L270 S271 | Q263-G267 PolarHBondContact O-N 3.27Å; K264-G267 PolarHBondContact O-N 3.07Å; G267-L270 PolarHBondContact O-N 3.08Å; G267-S271 WeakPolarHBondContact O-CB 3.39Å; G267-S271 PolarHBondContact O-N 3.04Å |
| 268 | K | 75.6 | Confident | 72.2 | Confident | 132 Ų | 132 | 101.4 Ų | 101.4 | 57% | 0.574 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -43.6 | 176.1 | -153.7 | -175.5 | -178.5 | -162.9 | 0 | 111.9 | K264 L265 K266 L270 S271 E272 | K264-K268 WeakPolarHBondContact O-CB 3.45Å; K264-K268 PolarHBondContact O-N 3.05Å; L265-K268 PolarHBondContact O-N 2.94Å; K266-K268 VanDerWaalsContact C-N 3.32Å; K266-K268 PolarHBondContact O-N 3.36Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-L270 PolarHBondContact O-N 3.15Å; K268-S271 WeakPolarHBondContact O-CB 3.4Å; K268-S271 PolarHBondContact O-N 3.28Å; K268-S271 VanDerWaalsContact O-N 3.16Å; K268-E272 WeakPolarHBondContact O-CG 3.36Å; K268-E272 PolarHBondContact O-N 2.89Å |
| 269 | A | 72.3 | Confident | 71 | Confident | 49 Ų | 49 | 100.8 Ų | 100.8 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L265 K266 S271 E272 E273 | L265-A269 PolarHBondContact O-N 3.16Å; K266-A269 PolarHBondContact O-N 3.42Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 3.28Å; A269-E272 PolarHBondContact O-N 3.39Å; A269-E273 PolarHBondContact O-N 3.24Å |
| 270 | L | 68.6 | Low | 70 | Confident | 112 Ų | 112 | 101.6 Ų | 101.6 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 173.8 | -105.4 | 136.1 | 0 | 0 | 0 | 112.9 | K266 G267 K268 L274 | K266-L270 PolarHBondContact O-N 2.98Å; G267-L270 PolarHBondContact O-N 3.08Å; K268-L270 VanDerWaalsContact C-N 3.33Å; K268-L270 PolarHBondContact O-N 3.15Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.29Å |
| 271 | S | 68.1 | Low | 69 | Low | 60 Ų | 60 | 104 Ų | 104 | 42% | 0.42 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 176.1 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | G267 K268 A269 L274 D275 | G267-S271 WeakPolarHBondContact O-CB 3.39Å; G267-S271 PolarHBondContact O-N 3.04Å; K268-S271 WeakPolarHBondContact O-CB 3.4Å; K268-S271 PolarHBondContact O-N 3.28Å; K268-S271 VanDerWaalsContact O-N 3.16Å; A269-S271 VanDerWaalsContact C-N 3.34Å; A269-S271 PolarHBondContact O-N 3.28Å; S271-L274 WeakPolarHBondContact O-CB 3.31Å; S271-L274 PolarHBondContact O-N 3.14Å; S271-D275 PolarHBondContact O-N 3.43Å |
| 272 | E | 69.7 | Low | 67.8 | Low | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 175.3 | -74.3 | 172.6 | -172.7 | 0 | 0 | 111.5 | K268 A269 L274 D275 L276 | K268-E272 WeakPolarHBondContact O-CG 3.36Å; K268-E272 PolarHBondContact O-N 2.89Å; A269-E272 PolarHBondContact O-N 3.39Å; E272-L274 VanDerWaalsContact C-N 3.33Å; E272-D275 PolarHBondContact O-N 3.42Å; E272-L276 PolarHBondContact O-N 3.49Å |
| 273 | E | 66.3 | Low | 66.7 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 63% | 0.631 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -37.3 | 170.3 | -77.8 | -177.9 | 169.4 | 0 | 0 | 112.3 | A269 A277 | A269-E273 PolarHBondContact O-N 3.24Å; E273-A277 WeakPolarHBondContact O-CB 3.21Å; E273-A277 PolarHBondContact O-N 3.08Å |
| 274 | L | 64.6 | Low | 64.9 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.6 | -40.6 | 177.2 | -158.2 | 82.4 | 0 | 0 | 0 | 112 | L270 S271 E272 L276 A277 L278 | L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.29Å; S271-L274 WeakPolarHBondContact O-CB 3.31Å; S271-L274 PolarHBondContact O-N 3.14Å; E272-L274 VanDerWaalsContact C-N 3.33Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-A277 PolarHBondContact O-N 3.01Å; L274-L278 HydrophobicContact CD2-CD1 4.28Å; L274-L278 HydrophobicContact CG-CD1 4.2Å; L274-L278 WeakPolarHBondContact O-CB 3.32Å; L274-L278 PolarHBondContact O-N 3.45Å |
| 275 | D | 65.4 | Low | 64.4 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 49% | 0.492 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.1 | -35.5 | 176.9 | -78.2 | -23.7 | 0 | 0 | 0 | 111.7 | S271 E272 N279 | S271-D275 PolarHBondContact O-N 3.43Å; E272-D275 PolarHBondContact O-N 3.42Å; D275-N279 WeakPolarHBondContact O-CB 3.5Å; D275-N279 PolarHBondContact O-N 3.28Å |
| 276 | L | 63.9 | Low | 63.7 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.8 | -47.3 | 169.4 | -84.2 | 159.2 | 0 | 0 | 0 | 111.3 | E272 L274 L278 N279 D280 | E272-L276 PolarHBondContact O-N 3.49Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L276-L278 VanDerWaalsContact C-N 3.34Å; L276-L278 PolarHBondContact O-N 2.91Å; L276-N279 PolarHBondContact O-N 2.89Å; L276-D280 PolarHBondContact O-N 3.48Å; L276-D280 VanDerWaalsContact O-N 3.13Å |
| 277 | A | 60.3 | Low | 63 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 41% | 0.413 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.2 | -31.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E273 L274 M281 | E273-A277 WeakPolarHBondContact O-CB 3.21Å; E273-A277 PolarHBondContact O-N 3.08Å; L274-A277 PolarHBondContact O-N 3.01Å; A277-M281 PolarHBondContact O-N 3.43Å |
| 278 | L | 59.1 | Low | 62.5 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.7 | -36 | 176.7 | -87.5 | 159.2 | 0 | 0 | 0 | 112.7 | L274 L276 M281 T282 | L274-L278 HydrophobicContact CD2-CD1 4.28Å; L274-L278 HydrophobicContact CG-CD1 4.2Å; L274-L278 WeakPolarHBondContact O-CB 3.32Å; L274-L278 PolarHBondContact O-N 3.45Å; L276-L278 VanDerWaalsContact C-N 3.34Å; L276-L278 PolarHBondContact O-N 2.91Å; L278-M281 HydrophobicContact CD2-CE 4.28Å; L278-M281 PolarHBondContact O-N 3.27Å; L278-T282 PolarHBondContact O-N 3.19Å; L278-T282 PolarHBondContact O-OG1 3.47Å |
| 279 | N | 59.8 | Low | 61.7 | Low | 103 Ų | 103 | 110.2 Ų | 110.2 | 55% | 0.551 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.2 | -35.4 | 173 | -92.4 | -26.8 | 0 | 0 | 0 | 112.4 | D275 L276 M281 T282 T283 | D275-N279 WeakPolarHBondContact O-CB 3.5Å; D275-N279 PolarHBondContact O-N 3.28Å; L276-N279 PolarHBondContact O-N 2.89Å; N279-M281 VanDerWaalsContact C-N 3.27Å; N279-M281 PolarHBondContact O-N 3.08Å; N279-T282 WeakPolarHBondContact CA-OG1 3.39Å; N279-T282 PolarHBondContact O-N 2.86Å; N279-T282 VanDerWaalsContact O-N 3.17Å; N279-T282 PolarHBondContact O-OG1 3.19Å; N279-T283 PolarHBondContact O-OG1 3.14Å |
| 280 | D | 60.1 | Low | 61 | Low | 134 Ų | 134 | 114.3 Ų | 114.3 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.9 | -29.9 | 175.5 | -79.1 | -8.7 | 0 | 0 | 0 | 112.2 | L276 T282 | L276-D280 PolarHBondContact O-N 3.48Å; L276-D280 VanDerWaalsContact O-N 3.13Å; D280-T282 VanDerWaalsContact C-N 3.33Å; D280-T282 PolarHBondContact O-N 3.31Å |
| 281 | M | 58.9 | Low | 60.5 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -10.1 | 174.5 | -84.4 | -168 | -75 | 0 | 0 | 114.7 | A277 L278 N279 | A277-M281 PolarHBondContact O-N 3.43Å; L278-M281 HydrophobicContact CD2-CE 4.28Å; L278-M281 PolarHBondContact O-N 3.27Å; N279-M281 VanDerWaalsContact C-N 3.27Å; N279-M281 PolarHBondContact O-N 3.08Å |
| 282 | T | 56.8 | Low | 59.9 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -0.3 | -177.2 | 23 | 0 | 0 | 0 | 0 | 114.6 | L278 N279 D280 | L278-T282 PolarHBondContact O-N 3.19Å; L278-T282 PolarHBondContact O-OG1 3.47Å; N279-T282 WeakPolarHBondContact CA-OG1 3.39Å; N279-T282 PolarHBondContact O-N 2.86Å; N279-T282 VanDerWaalsContact O-N 3.17Å; N279-T282 PolarHBondContact O-OG1 3.19Å; D280-T282 VanDerWaalsContact C-N 3.33Å; D280-T282 PolarHBondContact O-N 3.31Å |
| 283 | T | 54.1 | Low | 59 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | trans | -126.4 | 17.1 | -172.3 | -16.7 | 0 | 0 | 0 | 0 | 117.4 | N279 | N279-T283 PolarHBondContact O-OG1 3.14Š| ||
| 284 | L | 39.2 | Very low | 58.4 | Low | 240 Ų | 240 | 117.9 Ų | 117.9 | 100% | 1.257 | 65% | 0.648 | S | S | * | * | trans | -161.2 | 0 | 162.2 | -106.3 | 153.7 | 0 | 0 | 0 | 113.4 |
Retrieved 284 of 284 residues in 941.3 ms
(Link to these results)