| 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 | 51.2 | Low | 65.6 | Low | 213 Ų | 213 | 139 Ų | 139 | 100% | 1.049 | 69% | 0.692 | S | S | * | * | 0 | -38 | 0 | -128.3 | 177.6 | -81.6 | 0 | 0 | 112 | A3 I4 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.32Å; M1-I4 PolarHBondContact O-N 3.35Å | |||
| 2 | D | 53 | Low | 66.6 | Low | 137 Ų | 137 | 140.3 Ų | 140.3 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -61.5 | -29.1 | 177.9 | -77.4 | -43.1 | 0 | 0 | 0 | 116.6 | I4 K5 K6 | D2-I4 VanDerWaalsContact C-N 3.28Å; D2-I4 PolarHBondContact O-N 3.31Å; D2-K5 PolarHBondContact O-N 3.37Å; D2-K6 PolarHBondContact O-N 3.41Å |
| 3 | A | 59.6 | Low | 67.5 | Low | 80 Ų | 80 | 136.9 Ų | 136.9 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.7 | -29.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1 K7 | M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.32Å; A3-K7 PolarHBondContact O-N 3.36Å |
| 4 | I | 58.5 | Low | 68.3 | Low | 125 Ų | 125 | 134.1 Ų | 134.1 | 64% | 0.641 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.9 | -40 | -179.9 | -63.7 | 174.5 | 0 | 0 | 0 | 110.4 | M1 D2 K7 M8 | M1-I4 PolarHBondContact O-N 3.35Å; D2-I4 VanDerWaalsContact C-N 3.28Å; D2-I4 PolarHBondContact O-N 3.31Å; I4-K7 PolarHBondContact O-N 3.08Å; I4-M8 WeakPolarHBondContact O-CB 3.46Å; I4-M8 PolarHBondContact O-N 3.01Å; I4-M8 VanDerWaalsContact O-N 3.08Å |
| 5 | K | 61.2 | Low | 69 | Low | 152 Ų | 152 | 134.6 Ų | 134.6 | 66% | 0.661 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.7 | -42.3 | -177 | -149.7 | 178.6 | -173.7 | -178.3 | 0 | 112.3 | D2 M8 Q9 | D2-K5 PolarHBondContact O-N 3.37Å; K5-M8 PolarHBondContact O-N 3.46Å; K5-Q9 PolarHBondContact O-N 3.35Å |
| 6 | K | 70.6 | Confident | 69.6 | Low | 163 Ų | 163 | 133.4 Ų | 133.4 | 71% | 0.709 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.5 | -41.7 | 175.9 | -105.4 | -177.1 | 175.8 | -179.8 | 0 | 112.9 | D2 M8 Q9 M10 | D2-K6 PolarHBondContact O-N 3.41Å; K6-M8 VanDerWaalsContact C-N 3.34Å; K6-Q9 PolarHBondContact O-N 2.84Å; K6-M10 PolarHBondContact O-N 2.99Å |
| 7 | K | 71.4 | Confident | 70.2 | Confident | 148 Ų | 148 | 130.4 Ų | 130.4 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.5 | -38.8 | 178.3 | -129.6 | 178 | -176.8 | -176.5 | 0 | 111.7 | A3 I4 M10 L11 | A3-K7 PolarHBondContact O-N 3.36Å; I4-K7 PolarHBondContact O-N 3.08Å; K7-M10 PolarHBondContact O-N 3.37Å; K7-L11 PolarHBondContact O-N 3.3Å |
| 8 | M | 75.3 | Confident | 70.7 | Confident | 133 Ų | 133 | 126.3 Ų | 126.3 | 66% | 0.655 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.7 | -35.4 | 177.2 | -144.2 | 174.8 | 85.2 | 0 | 0 | 112.3 | I4 K5 K6 K12 | I4-M8 WeakPolarHBondContact O-CB 3.46Å; I4-M8 PolarHBondContact O-N 3.01Å; I4-M8 VanDerWaalsContact O-N 3.08Å; K5-M8 PolarHBondContact O-N 3.46Å; K6-M8 VanDerWaalsContact C-N 3.34Å; M8-K12 WeakPolarHBondContact O-CB 3.48Å; M8-K12 PolarHBondContact O-N 3.2Å |
| 9 | Q | 72.2 | Confident | 71.3 | Confident | 136 Ų | 136 | 123.6 Ų | 123.6 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.2 | -43.3 | 171.5 | -91.7 | -179.5 | -34.3 | 0 | 0 | 112.6 | K5 K6 K12 L13 | K5-Q9 PolarHBondContact O-N 3.35Å; K6-Q9 PolarHBondContact O-N 2.84Å; Q9-K12 PolarHBondContact O-N 3.44Å; Q9-L13 PolarHBondContact O-N 3.37Å |
| 10 | M | 76.4 | Confident | 71.7 | Confident | 124 Ų | 124 | 121.7 Ų | 121.7 | 61% | 0.611 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62 | -45.3 | 174.8 | -94.3 | -138.6 | -62.5 | 0 | 0 | 112.2 | K6 K7 K12 L13 D14 | K6-M10 PolarHBondContact O-N 2.99Å; K7-M10 PolarHBondContact O-N 3.37Å; M10-K12 VanDerWaalsContact C-N 3.27Å; M10-K12 PolarHBondContact O-N 3.06Å; M10-L13 PolarHBondContact O-N 3.47Å; M10-D14 WeakPolarHBondContact O-CB 3.49Å; M10-D14 PolarHBondContact O-N 3.05Å |
| 11 | L | 71.6 | Confident | 72.1 | Confident | 118 Ų | 118 | 125.6 Ų | 125.6 | 62% | 0.618 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.9 | -33.1 | 176.8 | -90.8 | 153.6 | 0 | 0 | 0 | 113 | K7 K15 | K7-L11 PolarHBondContact O-N 3.3Å; L11-K15 VanDerWaalsContact O-CB 3.3Å; L11-K15 WeakPolarHBondContact O-CB 3.44Å; L11-K15 PolarHBondContact O-N 2.98Å |
| 12 | K | 78 | Confident | 73.5 | Confident | 154 Ų | 154 | 118.1 Ų | 118.1 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.4 | -47.5 | 173.2 | -121 | -173.5 | 176.6 | -166.9 | 0 | 111.1 | M8 Q9 M10 K15 E16 | M8-K12 WeakPolarHBondContact O-CB 3.48Å; M8-K12 PolarHBondContact O-N 3.2Å; Q9-K12 PolarHBondContact O-N 3.44Å; M10-K12 VanDerWaalsContact C-N 3.27Å; M10-K12 PolarHBondContact O-N 3.06Å; K12-K15 PolarHBondContact O-N 2.88Å; K12-E16 WeakPolarHBondContact O-CB 3.36Å; K12-E16 PolarHBondContact O-N 2.88Å |
| 13 | L | 78.9 | Confident | 74.9 | Confident | 97 Ų | 97 | 117.2 Ų | 117.2 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.5 | -40.8 | 179.5 | -163.4 | 78.8 | 0 | 0 | 0 | 111.9 | Q9 M10 E16 N17 | Q9-L13 PolarHBondContact O-N 3.37Å; M10-L13 PolarHBondContact O-N 3.47Å; L13-E16 PolarHBondContact O-N 3Å; L13-N17 WeakPolarHBondContact O-CB 3.3Å; L13-N17 PolarHBondContact O-N 3.3Å; L13-N17 PolarHBondContact O-ND2 3.27Å |
| 14 | D | 78.1 | Confident | 75.9 | Confident | 97 Ų | 97 | 119.1 Ų | 119.1 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.7 | -38.1 | 175.1 | -79.3 | -16.6 | 0 | 0 | 0 | 111.8 | M10 A18 | M10-D14 WeakPolarHBondContact O-CB 3.49Å; M10-D14 PolarHBondContact O-N 3.05Å; D14-A18 VanDerWaalsContact O-CB 3.26Å; D14-A18 WeakPolarHBondContact O-CB 3.26Å; D14-A18 PolarHBondContact O-N 3.05Å |
| 15 | K | 79.4 | Confident | 77.1 | Confident | 142 Ų | 142 | 116 Ų | 116 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.3 | -43.3 | 174 | -174.6 | -174.1 | 175.5 | -172.7 | 0 | 111.5 | L11 K12 A18 I19 | L11-K15 VanDerWaalsContact O-CB 3.3Å; L11-K15 WeakPolarHBondContact O-CB 3.44Å; L11-K15 PolarHBondContact O-N 2.98Å; K12-K15 PolarHBondContact O-N 2.88Å; K15-A18 PolarHBondContact O-N 3.12Å; K15-I19 HydrophobicContact CG-CD1 4.02Å; K15-I19 VanDerWaalsContact O-CG1 3.25Å; K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 3.35Å |
| 16 | E | 78.5 | Confident | 78.2 | Confident | 116 Ų | 116 | 115.5 Ų | 115.5 | 54% | 0.542 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -48.8 | 177.9 | -139.3 | 162.2 | -157.1 | 0 | 0 | 110.2 | K12 L13 A18 I19 D20 | K12-E16 WeakPolarHBondContact O-CB 3.36Å; K12-E16 PolarHBondContact O-N 2.88Å; L13-E16 PolarHBondContact O-N 3Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 2.96Å; E16-I19 PolarHBondContact O-N 2.82Å; E16-I19 VanDerWaalsContact O-N 3.12Å; E16-D20 PolarHBondContact O-N 3Å |
| 17 | N | 79 | Confident | 78.9 | Confident | 82 Ų | 82 | 110.2 Ų | 110.2 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.4 | -34.6 | 175.1 | -76.6 | -30.5 | 0 | 0 | 0 | 113.7 | L13 R21 | L13-N17 WeakPolarHBondContact O-CB 3.3Å; L13-N17 PolarHBondContact O-N 3.3Å; L13-N17 PolarHBondContact O-ND2 3.27Å; N17-R21 WeakPolarHBondContact O-CB 3.35Å; N17-R21 WeakPolarHBondContact O-CG 3.25Å; N17-R21 PolarHBondContact O-N 3.03Å |
| 18 | A | 79.8 | Confident | 79.5 | Confident | 57 Ų | 57 | 107 Ų | 107 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -72.1 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | D14 K15 E16 A22 | D14-A18 VanDerWaalsContact O-CB 3.26Å; D14-A18 WeakPolarHBondContact O-CB 3.26Å; D14-A18 PolarHBondContact O-N 3.05Å; K15-A18 PolarHBondContact O-N 3.12Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 2.96Å; A18-A22 WeakPolarHBondContact O-CB 3.4Å; A18-A22 PolarHBondContact O-N 3.3Å |
| 19 | I | 81.7 | Confident | 80.1 | Confident | 74 Ų | 74 | 106.8 Ų | 106.8 | 38% | 0.379 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.9 | -49.3 | 172.5 | -69.6 | 166.5 | 0 | 0 | 0 | 109.4 | K15 E16 R21 A22 E23 | K15-I19 HydrophobicContact CG-CD1 4.02Å; K15-I19 VanDerWaalsContact O-CG1 3.25Å; K15-I19 WeakPolarHBondContact O-CG1 3.48Å; K15-I19 PolarHBondContact O-N 3.35Å; E16-I19 PolarHBondContact O-N 2.82Å; E16-I19 VanDerWaalsContact O-N 3.12Å; I19-R21 VanDerWaalsContact C-N 3.29Å; I19-R21 PolarHBondContact O-N 2.84Å; I19-A22 CarbonylContact O-C 3.56Å; I19-A22 WeakPolarHBondContact O-CA 3.29Å; I19-A22 WeakPolarHBondContact O-CB 3.44Å; I19-A22 PolarHBondContact O-N 3Å; I19-E23 HydrophobicContact CG2-CG 4.16Å; I19-E23 WeakPolarHBondContact O-CB 3.48Å; I19-E23 WeakPolarHBondContact O-CG 3.48Å; I19-E23 PolarHBondContact O-N 2.84Å |
| 20 | D | 78.7 | Confident | 80.8 | Confident | 86 Ų | 86 | 106.8 Ų | 106.8 | 46% | 0.46 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | 178.8 | -69.8 | -11.5 | 0 | 0 | 0 | 111.5 | E16 Q24 | E16-D20 PolarHBondContact O-N 3Å; D20-Q24 WeakPolarHBondContact O-CB 3.2Å; D20-Q24 PolarHBondContact O-N 2.77Å |
| 21 | R | 80.2 | Confident | 81.3 | Confident | 203 Ų | 203 | 107.4 Ų | 107.4 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66 | -38 | 173.7 | -85.3 | -177.2 | 178 | 165.2 | 1.5 | 113.1 | N17 I19 A25 | N17-R21 WeakPolarHBondContact O-CB 3.35Å; N17-R21 WeakPolarHBondContact O-CG 3.25Å; N17-R21 PolarHBondContact O-N 3.03Å; I19-R21 VanDerWaalsContact C-N 3.29Å; I19-R21 PolarHBondContact O-N 2.84Å; R21-A25 VanDerWaalsContact O-CB 3.29Å; R21-A25 WeakPolarHBondContact O-CB 3.42Å; R21-A25 PolarHBondContact O-N 3.3Å |
| 22 | A | 81.3 | Confident | 82 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.8 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | A18 I19 A25 E26 | A18-A22 WeakPolarHBondContact O-CB 3.4Å; A18-A22 PolarHBondContact O-N 3.3Å; I19-A22 CarbonylContact O-C 3.56Å; I19-A22 WeakPolarHBondContact O-CA 3.29Å; I19-A22 WeakPolarHBondContact O-CB 3.44Å; I19-A22 PolarHBondContact O-N 3Å; A22-A25 PolarHBondContact O-N 2.98Å; A22-E26 WeakPolarHBondContact O-CB 3.48Å; A22-E26 PolarHBondContact O-N 3.3Å |
| 23 | E | 81.5 | Confident | 82.4 | Confident | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.3 | -73.7 | -175 | 177.6 | 0 | 0 | 111.5 | I19 E26 A27 | I19-E23 HydrophobicContact CG2-CG 4.16Å; I19-E23 WeakPolarHBondContact O-CB 3.48Å; I19-E23 WeakPolarHBondContact O-CG 3.48Å; I19-E23 PolarHBondContact O-N 2.84Å; E23-E26 PolarHBondContact O-N 2.92Å; E23-A27 VanDerWaalsContact O-CB 3.3Å; E23-A27 WeakPolarHBondContact O-CB 3.46Å; E23-A27 PolarHBondContact O-N 3.33Å |
| 24 | Q | 82.4 | Confident | 82.9 | Confident | 120 Ų | 120 | 100.4 Ų | 100.4 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 174.9 | -167 | 75.5 | 40.7 | 0 | 0 | 111.3 | D20 A27 D28 | D20-Q24 WeakPolarHBondContact O-CB 3.2Å; D20-Q24 PolarHBondContact O-N 2.77Å; Q24-A27 PolarHBondContact O-N 2.84Å; Q24-D28 WeakPolarHBondContact O-CB 2.93Å; Q24-D28 VanDerWaalsContact O-CG 3.23Å; Q24-D28 PolarHBondContact O-N 2.91Å |
| 25 | A | 82.7 | Confident | 83.3 | Confident | 59 Ų | 59 | 104.3 Ų | 104.3 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R21 A22 K29 | R21-A25 VanDerWaalsContact O-CB 3.29Å; R21-A25 WeakPolarHBondContact O-CB 3.42Å; R21-A25 PolarHBondContact O-N 3.3Å; A22-A25 PolarHBondContact O-N 2.98Å; A25-K29 WeakPolarHBondContact O-CB 3.21Å; A25-K29 PolarHBondContact O-N 2.88Å |
| 26 | E | 83.9 | Confident | 83.8 | Confident | 142 Ų | 142 | 101.1 Ų | 101.1 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | 172.9 | -116.4 | 179.2 | 175 | 0 | 0 | 111.6 | A22 E23 K30 | A22-E26 WeakPolarHBondContact O-CB 3.48Å; A22-E26 PolarHBondContact O-N 3.3Å; E23-E26 PolarHBondContact O-N 2.92Å; E26-K30 VanDerWaalsContact O-CB 3.27Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 PolarHBondContact O-N 2.86Å |
| 27 | A | 85 | Confident | 84.3 | Confident | 52 Ų | 52 | 101.2 Ų | 101.2 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E23 Q24 K30 Q31 | E23-A27 VanDerWaalsContact O-CB 3.3Å; E23-A27 WeakPolarHBondContact O-CB 3.46Å; E23-A27 PolarHBondContact O-N 3.33Å; Q24-A27 PolarHBondContact O-N 2.84Å; A27-K30 PolarHBondContact O-N 3.36Å; A27-Q31 WeakPolarHBondContact O-CB 3.36Å; A27-Q31 PolarHBondContact O-N 3.37Å |
| 28 | D | 84.7 | Confident | 84.8 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.9 | -70.5 | -13.3 | 0 | 0 | 0 | 111.3 | Q24 Q31 A32 | Q24-D28 WeakPolarHBondContact O-CB 2.93Å; Q24-D28 VanDerWaalsContact O-CG 3.23Å; Q24-D28 PolarHBondContact O-N 2.91Å; D28-Q31 PolarHBondContact O-N 2.87Å; D28-A32 WeakPolarHBondContact O-CB 3.41Å; D28-A32 PolarHBondContact O-N 3.31Å |
| 29 | K | 88.3 | Confident | 85.3 | Confident | 128 Ų | 128 | 105.1 Ų | 105.1 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 174 | 178.8 | -175.7 | 168.4 | -171.9 | 0 | 111.1 | A25 Q31 A32 E33 | A25-K29 WeakPolarHBondContact O-CB 3.21Å; A25-K29 PolarHBondContact O-N 2.88Å; K29-Q31 VanDerWaalsContact C-N 3.32Å; K29-Q31 PolarHBondContact O-N 3.47Å; K29-A32 PolarHBondContact O-N 3.36Å; K29-E33 WeakPolarHBondContact CE-OE1 3.27Å; K29-E33 IonicContact NZ-OE1 3.8Å; K29-E33 WeakPolarHBondContact O-CB 3.4Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 2.86Å |
| 30 | K | 87.2 | Confident | 85.7 | Confident | 135 Ų | 135 | 107.1 Ų | 107.1 | 59% | 0.587 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 178.9 | -169.1 | 176.7 | -176.9 | -179.5 | 0 | 111.3 | E26 A27 E33 D34 | E26-K30 VanDerWaalsContact O-CB 3.27Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 PolarHBondContact O-N 2.86Å; A27-K30 PolarHBondContact O-N 3.36Å; K30-E33 PolarHBondContact O-N 2.86Å; K30-D34 WeakPolarHBondContact O-CB 3.36Å; K30-D34 VanDerWaalsContact O-CG 3.27Å; K30-D34 PolarHBondContact O-N 3.28Å |
| 31 | Q | 86.9 | Confident | 86.2 | Confident | 137 Ų | 137 | 109.3 Ų | 109.3 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -37.7 | 177 | -158 | 179 | 36.7 | 0 | 0 | 112.1 | A27 D28 K29 R35 | A27-Q31 WeakPolarHBondContact O-CB 3.36Å; A27-Q31 PolarHBondContact O-N 3.37Å; D28-Q31 PolarHBondContact O-N 2.87Å; K29-Q31 VanDerWaalsContact C-N 3.32Å; K29-Q31 PolarHBondContact O-N 3.47Å; Q31-R35 VanDerWaalsContact O-CB 3.27Å; Q31-R35 WeakPolarHBondContact O-CB 3.43Å; Q31-R35 PolarHBondContact O-N 3.45Å |
| 32 | A | 85 | Confident | 86.7 | Confident | 54 Ų | 54 | 105.2 Ų | 105.2 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D28 K29 R35 C36 | D28-A32 WeakPolarHBondContact O-CB 3.41Å; D28-A32 PolarHBondContact O-N 3.31Å; K29-A32 PolarHBondContact O-N 3.36Å; A32-R35 PolarHBondContact O-N 2.84Å; A32-C36 WeakPolarHBondContact O-CB 3.46Å; A32-C36 PolarHBondContact O-N 3.45Å; A32-C36 PolarHBondContact O-SG 3.43Å |
| 33 | E | 88 | Confident | 87.2 | Confident | 94 Ų | 94 | 108 Ų | 108 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 173.7 | -77.9 | 178.5 | 175.8 | 0 | 0 | 111.5 | K29 K30 R35 C36 K37 | K29-E33 WeakPolarHBondContact CE-OE1 3.27Å; K29-E33 IonicContact NZ-OE1 3.8Å; K29-E33 WeakPolarHBondContact O-CB 3.4Å; K29-E33 WeakPolarHBondContact O-CG 3.46Å; K29-E33 PolarHBondContact O-N 2.86Å; K30-E33 PolarHBondContact O-N 2.86Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.35Å; E33-C36 PolarHBondContact O-N 2.97Å; E33-K37 WeakPolarHBondContact O-CB 3.27Å; E33-K37 WeakPolarHBondContact O-CG 3.24Å; E33-K37 PolarHBondContact O-N 2.82Å |
| 34 | D | 87.8 | Confident | 87.7 | Confident | 75 Ų | 75 | 108.9 Ų | 108.9 | 40% | 0.401 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 175.5 | -72.3 | -21.9 | 0 | 0 | 0 | 111.2 | K30 K37 Q38 | K30-D34 WeakPolarHBondContact O-CB 3.36Å; K30-D34 VanDerWaalsContact O-CG 3.27Å; K30-D34 PolarHBondContact O-N 3.28Å; D34-K37 PolarHBondContact O-N 3.48Å; D34-Q38 WeakPolarHBondContact O-CG 3.46Å; D34-Q38 PolarHBondContact O-N 2.99Å |
| 35 | R | 87.8 | Confident | 88.1 | Confident | 179 Ų | 179 | 105.7 Ų | 105.7 | 68% | 0.675 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.4 | -36.8 | 176.2 | -162.9 | 165.2 | -173.8 | 157.5 | 0.7 | 112.8 | Q31 A32 E33 Q38 L39 | Q31-R35 VanDerWaalsContact O-CB 3.27Å; Q31-R35 WeakPolarHBondContact O-CB 3.43Å; Q31-R35 PolarHBondContact O-N 3.45Å; A32-R35 PolarHBondContact O-N 2.84Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.35Å; R35-Q38 PolarHBondContact O-N 3.4Å; R35-L39 WeakPolarHBondContact O-CB 3.41Å; R35-L39 VanDerWaalsContact O-CG 3.31Å; R35-L39 WeakPolarHBondContact O-CG 3.43Å; R35-L39 PolarHBondContact O-N 3.24Å |
| 36 | C | 88.9 | Confident | 88.6 | Confident | 74 Ų | 74 | 108.2 Ų | 108.2 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 170.2 | -79.4 | 0 | 0 | 0 | 0 | 110.9 | A32 E33 Q38 L39 E40 | A32-C36 WeakPolarHBondContact O-CB 3.46Å; A32-C36 PolarHBondContact O-N 3.45Å; A32-C36 PolarHBondContact O-SG 3.43Å; E33-C36 PolarHBondContact O-N 2.97Å; C36-Q38 PolarHBondContact O-N 2.88Å; C36-L39 PolarHBondContact O-N 3.48Å; C36-E40 WeakPolarHBondContact O-CB 3.35Å; C36-E40 WeakPolarHBondContact O-CG 3.37Å; C36-E40 PolarHBondContact O-N 3.32Å |
| 37 | K | 90.4 | Very high | 89 | Confident | 119 Ų | 119 | 107 Ų | 107 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -45 | 175.1 | -79.1 | 177.9 | 179 | 173 | 0 | 112.4 | E33 D34 L39 E40 E41 | E33-K37 WeakPolarHBondContact O-CB 3.27Å; E33-K37 WeakPolarHBondContact O-CG 3.24Å; E33-K37 PolarHBondContact O-N 2.82Å; D34-K37 PolarHBondContact O-N 3.48Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-L39 PolarHBondContact O-N 3.41Å; K37-E40 PolarHBondContact O-N 3.48Å; K37-E41 WeakPolarHBondContact O-CB 3.5Å; K37-E41 WeakPolarHBondContact O-CG 3.31Å; K37-E41 PolarHBondContact O-N 2.85Å |
| 38 | Q | 88.6 | Confident | 89.4 | Confident | 123 Ų | 123 | 112.8 Ų | 112.8 | 58% | 0.575 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 175.4 | -78.9 | -179.6 | -8.6 | 0 | 0 | 112.1 | D34 R35 C36 E41 E42 | D34-Q38 WeakPolarHBondContact O-CG 3.46Å; D34-Q38 PolarHBondContact O-N 2.99Å; R35-Q38 PolarHBondContact O-N 3.4Å; C36-Q38 PolarHBondContact O-N 2.88Å; Q38-E41 PolarHBondContact O-N 2.91Å; Q38-E42 WeakPolarHBondContact O-CB 3.43Å; Q38-E42 WeakPolarHBondContact O-CG 3.33Å; Q38-E42 PolarHBondContact O-N 3.47Å |
| 39 | L | 89.8 | Confident | 89.8 | Confident | 97 Ų | 97 | 116.1 Ų | 116.1 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.9 | -36.9 | 177.7 | -72.2 | 171.1 | 0 | 0 | 0 | 112.4 | R35 C36 K37 E42 Q43 | R35-L39 WeakPolarHBondContact O-CB 3.41Å; R35-L39 VanDerWaalsContact O-CG 3.31Å; R35-L39 WeakPolarHBondContact O-CG 3.43Å; R35-L39 PolarHBondContact O-N 3.24Å; C36-L39 PolarHBondContact O-N 3.48Å; K37-L39 VanDerWaalsContact C-N 3.34Å; K37-L39 PolarHBondContact O-N 3.41Å; L39-E42 PolarHBondContact O-N 2.87Å; L39-Q43 VanDerWaalsContact O-CB 3.24Å; L39-Q43 WeakPolarHBondContact O-CB 3.39Å; L39-Q43 PolarHBondContact O-N 2.82Å |
| 40 | E | 89.9 | Confident | 90.1 | Very high | 117 Ų | 117 | 114.8 Ų | 114.8 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -41.9 | 173.8 | -77.3 | 179.9 | 167.7 | 0 | 0 | 111.5 | C36 K37 Q43 Q44 | C36-E40 WeakPolarHBondContact O-CB 3.35Å; C36-E40 WeakPolarHBondContact O-CG 3.37Å; C36-E40 PolarHBondContact O-N 3.32Å; K37-E40 PolarHBondContact O-N 3.48Å; E40-Q43 PolarHBondContact O-N 3.4Å; E40-Q44 WeakPolarHBondContact O-CB 3.41Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 3.41Å |
| 41 | E | 89.9 | Confident | 90.4 | Very high | 131 Ų | 131 | 114.5 Ų | 114.5 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.4 | -43.3 | 173.9 | -75.3 | 178.1 | 179.3 | 0 | 0 | 111.7 | K37 Q38 Q44 A45 | K37-E41 WeakPolarHBondContact O-CB 3.5Å; K37-E41 WeakPolarHBondContact O-CG 3.31Å; K37-E41 PolarHBondContact O-N 2.85Å; Q38-E41 PolarHBondContact O-N 2.91Å; E41-Q44 PolarHBondContact O-N 2.87Å; E41-A45 WeakPolarHBondContact O-CB 3.42Å; E41-A45 PolarHBondContact O-N 3.38Å |
| 42 | E | 90.7 | Very high | 90.8 | Very high | 117 Ų | 117 | 109.4 Ų | 109.4 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 173.8 | -80.1 | -174.7 | 169.2 | 0 | 0 | 111.8 | Q38 L39 A45 L46 | Q38-E42 WeakPolarHBondContact O-CB 3.43Å; Q38-E42 WeakPolarHBondContact O-CG 3.33Å; Q38-E42 PolarHBondContact O-N 3.47Å; L39-E42 PolarHBondContact O-N 2.87Å; E42-A45 PolarHBondContact O-N 3.3Å; E42-L46 WeakPolarHBondContact O-CB 3.47Å; E42-L46 WeakPolarHBondContact O-CG 3.43Å; E42-L46 PolarHBondContact O-N 2.82Å |
| 43 | Q | 91.5 | Very high | 91.2 | Very high | 116 Ų | 116 | 110.2 Ų | 110.2 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.1 | -168 | -170.7 | 5.1 | 0 | 0 | 111 | L39 E40 L46 Q47 | L39-Q43 VanDerWaalsContact O-CB 3.24Å; L39-Q43 WeakPolarHBondContact O-CB 3.39Å; L39-Q43 PolarHBondContact O-N 2.82Å; E40-Q43 PolarHBondContact O-N 3.4Å; Q43-L46 PolarHBondContact O-N 2.9Å; Q43-Q47 WeakPolarHBondContact O-CB 3.31Å; Q43-Q47 WeakPolarHBondContact O-CG 3.47Å; Q43-Q47 PolarHBondContact O-N 2.86Å |
| 44 | Q | 91.6 | Very high | 91.5 | Very high | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 174.2 | -76.3 | -177.1 | 8.4 | 0 | 0 | 111.9 | E40 E41 Q47 K48 | E40-Q44 WeakPolarHBondContact O-CB 3.41Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 3.41Å; E41-Q44 PolarHBondContact O-N 2.87Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q44-K48 WeakPolarHBondContact O-CB 3.47Å; Q44-K48 PolarHBondContact O-N 2.8Å |
| 45 | A | 91.6 | Very high | 91.8 | Very high | 52 Ų | 52 | 111.5 Ų | 111.5 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E41 E42 K48 K49 | E41-A45 WeakPolarHBondContact O-CB 3.42Å; E41-A45 PolarHBondContact O-N 3.38Å; E42-A45 PolarHBondContact O-N 3.3Å; A45-K48 PolarHBondContact O-N 3.27Å; A45-K49 WeakPolarHBondContact O-CG 3.36Å; A45-K49 PolarHBondContact O-N 2.92Å |
| 46 | L | 92.8 | Very high | 92.2 | Very high | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 175 | -77.5 | 172.2 | 0 | 0 | 0 | 111.9 | E42 Q43 K48 K49 L50 | E42-L46 WeakPolarHBondContact O-CB 3.47Å; E42-L46 WeakPolarHBondContact O-CG 3.43Å; E42-L46 PolarHBondContact O-N 2.82Å; Q43-L46 PolarHBondContact O-N 2.9Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 2.97Å; L46-K49 PolarHBondContact O-N 3.43Å; L46-L50 VanDerWaalsContact O-CB 3.31Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.43Å |
| 47 | Q | 92.7 | Very high | 92.5 | Very high | 116 Ų | 116 | 109.6 Ų | 109.6 | 54% | 0.542 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 173.9 | -83.2 | -175.9 | -16.6 | 0 | 0 | 112 | Q43 Q44 L50 K51 | Q43-Q47 WeakPolarHBondContact O-CB 3.31Å; Q43-Q47 WeakPolarHBondContact O-CG 3.47Å; Q43-Q47 PolarHBondContact O-N 2.86Å; Q44-Q47 PolarHBondContact O-N 3.42Å; Q47-L50 PolarHBondContact O-N 2.92Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 PolarHBondContact O-N 3.42Å |
| 48 | K | 93.8 | Very high | 92.7 | Very high | 174 Ų | 174 | 109.7 Ų | 109.7 | 76% | 0.757 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | 176.7 | -169.6 | 176.6 | -179.6 | -179.9 | 0 | 112.1 | Q44 A45 L46 G52 | Q44-K48 WeakPolarHBondContact O-CB 3.47Å; Q44-K48 PolarHBondContact O-N 2.8Å; A45-K48 PolarHBondContact O-N 3.27Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 2.97Å; K48-G52 PolarHBondContact O-N 3.23Å |
| 49 | K | 93.6 | Very high | 93.1 | Very high | 152 Ų | 152 | 111 Ų | 111 | 66% | 0.661 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 173.4 | -77.9 | -178.1 | 179 | 178.7 | 0 | 111.8 | A45 L46 K51 G52 T53 | A45-K49 WeakPolarHBondContact O-CG 3.36Å; A45-K49 PolarHBondContact O-N 2.92Å; L46-K49 PolarHBondContact O-N 3.43Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 2.71Å; K49-G52 PolarHBondContact O-N 2.82Å; K49-T53 PolarHBondContact O-N 3.17Å; K49-T53 PolarHBondContact O-OG1 3.17Å; K49-T53 VanDerWaalsContact O-OG1 3.13Å |
| 50 | L | 93.7 | Very high | 93.3 | Very high | 99 Ų | 99 | 114 Ų | 114 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.9 | -49.1 | 177.2 | -173.2 | 77.1 | 0 | 0 | 0 | 110.2 | L46 Q47 G52 T53 E54 | L46-L50 VanDerWaalsContact O-CB 3.31Å; L46-L50 WeakPolarHBondContact O-CB 3.4Å; L46-L50 PolarHBondContact O-N 3.43Å; Q47-L50 PolarHBondContact O-N 2.92Å; L50-G52 VanDerWaalsContact C-N 3.35Å; L50-G52 PolarHBondContact O-N 3.43Å; L50-T53 WeakPolarHBondContact CA-OG1 3.32Å; L50-T53 PolarHBondContact O-N 2.87Å; L50-T53 PolarHBondContact O-OG1 3Å; L50-E54 WeakPolarHBondContact O-CG 3.49Å; L50-E54 PolarHBondContact O-N 2.88Å |
| 51 | K | 94.1 | Very high | 93.6 | Very high | 130 Ų | 130 | 111.1 Ų | 111.1 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 176 | -170.9 | 174.5 | -177.5 | 177.9 | 0 | 112.3 | Q47 K49 T53 E54 D55 | Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 PolarHBondContact O-N 3.42Å; K49-K51 VanDerWaalsContact C-N 3.33Å; K49-K51 PolarHBondContact O-N 2.71Å; K51-T53 VanDerWaalsContact C-N 3.33Å; K51-T53 PolarHBondContact O-N 3.43Å; K51-E54 PolarHBondContact O-N 3.46Å; K51-D55 WeakPolarHBondContact O-CB 3.36Å; K51-D55 PolarHBondContact O-N 3.13Å |
| 52 | G | 94.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 110.9 Ų | 110.9 | 31% | 0.309 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K48 K49 L50 E56 | K48-G52 PolarHBondContact O-N 3.23Å; K49-G52 PolarHBondContact O-N 2.82Å; L50-G52 VanDerWaalsContact C-N 3.35Å; L50-G52 PolarHBondContact O-N 3.43Å; G52-E56 WeakPolarHBondContact O-CG 3.46Å; G52-E56 PolarHBondContact O-N 3.49Å |
| 53 | T | 94 | Very high | 94.1 | Very high | 71 Ų | 71 | 108.6 Ų | 108.6 | 44% | 0.436 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.5 | -34.2 | 175.1 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | K49 L50 K51 E56 V57 | K49-T53 PolarHBondContact O-N 3.17Å; K49-T53 PolarHBondContact O-OG1 3.17Å; K49-T53 VanDerWaalsContact O-OG1 3.13Å; L50-T53 WeakPolarHBondContact CA-OG1 3.32Å; L50-T53 PolarHBondContact O-N 2.87Å; L50-T53 PolarHBondContact O-OG1 3Å; K51-T53 VanDerWaalsContact C-N 3.33Å; K51-T53 PolarHBondContact O-N 3.43Å; T53-E56 PolarHBondContact O-N 3.23Å; T53-V57 WeakPolarHBondContact O-CB 3.38Å; T53-V57 VanDerWaalsContact O-CG2 3.22Å; T53-V57 WeakPolarHBondContact O-CG2 3.31Å; T53-V57 PolarHBondContact O-N 2.9Å |
| 54 | E | 94.5 | Very high | 94.3 | Very high | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 173.6 | -74.7 | 171.3 | 164.5 | 0 | 0 | 110.7 | L50 K51 E56 V57 E58 | L50-E54 WeakPolarHBondContact O-CG 3.49Å; L50-E54 PolarHBondContact O-N 2.88Å; K51-E54 PolarHBondContact O-N 3.46Å; E54-E56 VanDerWaalsContact C-N 3.31Å; E54-E56 PolarHBondContact O-N 2.87Å; E54-V57 PolarHBondContact O-N 3.4Å; E54-E58 WeakPolarHBondContact O-CB 3.34Å; E54-E58 PolarHBondContact O-N 3.42Å |
| 55 | D | 94.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 106.2 Ų | 106.2 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.8 | -65.4 | -18.5 | 0 | 0 | 0 | 111.2 | K51 K59 | K51-D55 WeakPolarHBondContact O-CB 3.36Å; K51-D55 PolarHBondContact O-N 3.13Å; D55-K59 VanDerWaalsContact O-CB 3.31Å; D55-K59 WeakPolarHBondContact O-CB 3.22Å; D55-K59 PolarHBondContact O-N 3.45Å |
| 56 | E | 94.9 | Very high | 94.8 | Very high | 112 Ų | 112 | 107.1 Ų | 107.1 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 174.7 | -78.4 | 178.5 | -179.5 | 0 | 0 | 112.4 | G52 T53 E54 E58 K59 Y60 | G52-E56 WeakPolarHBondContact O-CG 3.46Å; G52-E56 PolarHBondContact O-N 3.49Å; T53-E56 PolarHBondContact O-N 3.23Å; E54-E56 VanDerWaalsContact C-N 3.31Å; E54-E56 PolarHBondContact O-N 2.87Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.01Å; E56-K59 PolarHBondContact O-N 2.88Å; E56-Y60 HydrophobicContact CB-CD2 4.45Å; E56-Y60 HydrophobicContact CB-CE2 4.45Å; E56-Y60 WeakPolarHBondContact O-CB 3.26Å; E56-Y60 WeakPolarHBondContact O-CD2 3.43Å; E56-Y60 PolarHBondContact O-N 3.15Å |
| 57 | V | 95.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 176.8 | 167.5 | 0 | 0 | 0 | 0 | 110.6 | T53 E54 Y60 S61 | T53-V57 WeakPolarHBondContact O-CB 3.38Å; T53-V57 VanDerWaalsContact O-CG2 3.22Å; T53-V57 WeakPolarHBondContact O-CG2 3.31Å; T53-V57 PolarHBondContact O-N 2.9Å; E54-V57 PolarHBondContact O-N 3.4Å; V57-Y60 PolarHBondContact O-N 2.84Å; V57-S61 VanDerWaalsContact O-CB 3.26Å; V57-S61 WeakPolarHBondContact O-CB 3.49Å; V57-S61 PolarHBondContact O-N 3.48Å |
| 58 | E | 95.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 104.5 Ų | 104.5 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -47.7 | 176.2 | -170.1 | 166.7 | -152.6 | 0 | 0 | 110.8 | E54 E56 Y60 S61 E62 | E54-E58 WeakPolarHBondContact O-CB 3.34Å; E54-E58 PolarHBondContact O-N 3.42Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.01Å; E58-Y60 PolarHBondContact O-N 2.88Å; E58-S61 WeakPolarHBondContact O-CB 3.47Å; E58-S61 PolarHBondContact O-N 2.86Å; E58-S61 VanDerWaalsContact O-N 3.15Å; E58-E62 PolarHBondContact O-N 3.33Å |
| 59 | K | 95.5 | Very high | 95.3 | Very high | 152 Ų | 152 | 101.6 Ų | 101.6 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60 | -45.1 | 176.7 | -176.2 | -177 | 179.4 | -176.6 | 0 | 113.1 | D55 E56 S61 E62 S63 | D55-K59 VanDerWaalsContact O-CB 3.31Å; D55-K59 WeakPolarHBondContact O-CB 3.22Å; D55-K59 PolarHBondContact O-N 3.45Å; E56-K59 PolarHBondContact O-N 2.88Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-E62 PolarHBondContact O-N 2.98Å; K59-S63 WeakPolarHBondContact O-CB 3.46Å; K59-S63 PolarHBondContact O-N 3.07Å |
| 60 | Y | 95.1 | Very high | 95.4 | Very high | 159 Ų | 159 | 100 Ų | 100 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -36 | 176.5 | -76.7 | -60.5 | 0 | 0 | 0 | 111.4 | E56 V57 E58 S63 V64 | E56-Y60 HydrophobicContact CB-CD2 4.45Å; E56-Y60 HydrophobicContact CB-CE2 4.45Å; E56-Y60 WeakPolarHBondContact O-CB 3.26Å; E56-Y60 WeakPolarHBondContact O-CD2 3.43Å; E56-Y60 PolarHBondContact O-N 3.15Å; V57-Y60 PolarHBondContact O-N 2.84Å; E58-Y60 PolarHBondContact O-N 2.88Å; Y60-S63 PolarHBondContact O-N 3.35Å; Y60-V64 WeakPolarHBondContact O-CB 3.28Å; Y60-V64 VanDerWaalsContact O-CG2 3.26Å; Y60-V64 WeakPolarHBondContact O-CG2 3.44Å; Y60-V64 PolarHBondContact O-N 3.44Å |
| 61 | S | 95.3 | Very high | 95.5 | Very high | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 112 | V57 E58 K59 K65 | V57-S61 VanDerWaalsContact O-CB 3.26Å; V57-S61 WeakPolarHBondContact O-CB 3.49Å; V57-S61 PolarHBondContact O-N 3.48Å; E58-S61 WeakPolarHBondContact O-CB 3.47Å; E58-S61 PolarHBondContact O-N 2.86Å; E58-S61 VanDerWaalsContact O-N 3.15Å; K59-S61 VanDerWaalsContact C-N 3.33Å; S61-K65 WeakPolarHBondContact O-CG 3.45Å; S61-K65 PolarHBondContact O-N 2.98Å |
| 62 | E | 95.9 | Very high | 95.6 | Very high | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 174 | -73.4 | -174.9 | 163.7 | 0 | 0 | 111.4 | E58 K59 V64 K65 D66 | E58-E62 PolarHBondContact O-N 3.33Å; K59-E62 PolarHBondContact O-N 2.98Å; E62-V64 VanDerWaalsContact C-N 3.33Å; E62-V64 PolarHBondContact O-N 3.19Å; E62-K65 PolarHBondContact O-N 3.24Å; E62-D66 PolarHBondContact O-N 3.04Å |
| 63 | S | 96.2 | Very high | 95.7 | Very high | 70 Ų | 70 | 104.6 Ų | 104.6 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 112.9 | K59 Y60 A67 | K59-S63 WeakPolarHBondContact O-CB 3.46Å; K59-S63 PolarHBondContact O-N 3.07Å; Y60-S63 PolarHBondContact O-N 3.35Å; S63-A67 WeakPolarHBondContact O-CB 3.08Å; S63-A67 PolarHBondContact O-N 2.89Å |
| 64 | V | 96.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 103.9 Ų | 103.9 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 175.9 | 168 | 0 | 0 | 0 | 0 | 110.4 | Y60 E62 A67 Q68 | Y60-V64 WeakPolarHBondContact O-CB 3.28Å; Y60-V64 VanDerWaalsContact O-CG2 3.26Å; Y60-V64 WeakPolarHBondContact O-CG2 3.44Å; Y60-V64 PolarHBondContact O-N 3.44Å; E62-V64 VanDerWaalsContact C-N 3.33Å; E62-V64 PolarHBondContact O-N 3.19Å; V64-A67 PolarHBondContact O-N 3.4Å; V64-Q68 HydrophobicContact CG1-CG 4.39Å; V64-Q68 WeakPolarHBondContact O-CB 3.26Å; V64-Q68 VanDerWaalsContact O-CG 3.28Å; V64-Q68 WeakPolarHBondContact O-CG 3.49Å; V64-Q68 PolarHBondContact O-N 2.92Å |
| 65 | K | 96.1 | Very high | 96 | Very high | 123 Ų | 123 | 104.1 Ų | 104.1 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 175.2 | -76.2 | 177 | 179.8 | 177.9 | 0 | 111.9 | S61 E62 A67 Q68 E69 | S61-K65 WeakPolarHBondContact O-CG 3.45Å; S61-K65 PolarHBondContact O-N 2.98Å; E62-K65 PolarHBondContact O-N 3.24Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-A67 PolarHBondContact O-N 3.37Å; K65-Q68 PolarHBondContact O-N 2.9Å; K65-E69 WeakPolarHBondContact O-CG 3.44Å; K65-E69 PolarHBondContact O-N 3.41Å |
| 66 | D | 96.1 | Very high | 96.1 | Very high | 71 Ų | 71 | 106.5 Ų | 106.5 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 177.3 | 175 | 66.2 | 0 | 0 | 0 | 112.1 | E62 K70 | E62-D66 PolarHBondContact O-N 3.04Å; D66-K70 WeakPolarHBondContact O-CB 3.42Å; D66-K70 WeakPolarHBondContact O-CG 3.34Å; D66-K70 PolarHBondContact O-N 2.91Å; D66-K70 VanDerWaalsContact OD1-CE 3.32Å; D66-K70 WeakPolarHBondContact OD1-CE 3.4Å; D66-K70 IonicContact OD1-NZ 3.33Å; D66-K70 PolarHBondContact OD1-NZ 2.67Å; D66-K70 WeakPolarHBondContact OD2-CE 3.32Å; D66-K70 IonicContact OD2-NZ 2.67Å; D66-K70 PolarHBondContact OD2-NZ 3.33Å |
| 67 | A | 96.3 | Very high | 96.2 | Very high | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S63 V64 K65 K70 L71 | S63-A67 WeakPolarHBondContact O-CB 3.08Å; S63-A67 PolarHBondContact O-N 2.89Å; V64-A67 PolarHBondContact O-N 3.4Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-A67 PolarHBondContact O-N 3.37Å; A67-K70 PolarHBondContact O-N 3.24Å; A67-L71 WeakPolarHBondContact O-CB 3.42Å; A67-L71 PolarHBondContact O-N 3.43Å |
| 68 | Q | 96.6 | Very high | 96.2 | Very high | 120 Ų | 120 | 105.6 Ų | 105.6 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -45.1 | 175.5 | -76.7 | 174.7 | -22.9 | 0 | 0 | 111.6 | V64 K65 K70 L71 E72 | V64-Q68 HydrophobicContact CG1-CG 4.39Å; V64-Q68 WeakPolarHBondContact O-CB 3.26Å; V64-Q68 VanDerWaalsContact O-CG 3.28Å; V64-Q68 WeakPolarHBondContact O-CG 3.49Å; V64-Q68 PolarHBondContact O-N 2.92Å; K65-Q68 PolarHBondContact O-N 2.9Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 2.93Å; Q68-L71 PolarHBondContact O-N 3.46Å; Q68-E72 WeakPolarHBondContact O-CB 3.38Å; Q68-E72 PolarHBondContact O-N 2.99Å |
| 69 | E | 96.6 | Very high | 96.3 | Very high | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 175.9 | -73.3 | 179.6 | -171.7 | 0 | 0 | 111.7 | K65 Q73 | K65-E69 WeakPolarHBondContact O-CG 3.44Å; K65-E69 PolarHBondContact O-N 3.41Å; E69-Q73 WeakPolarHBondContact O-CB 3.27Å; E69-Q73 VanDerWaalsContact O-CG 3.27Å; E69-Q73 WeakPolarHBondContact O-CG 3.49Å; E69-Q73 PolarHBondContact O-N 3.02Å |
| 70 | K | 96.7 | Very high | 96.3 | Very high | 119 Ų | 119 | 100.6 Ų | 100.6 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 175.3 | -76.9 | 171.1 | -178.8 | 162 | 0 | 112.8 | D66 A67 Q68 Q73 A74 | D66-K70 WeakPolarHBondContact O-CB 3.42Å; D66-K70 WeakPolarHBondContact O-CG 3.34Å; D66-K70 PolarHBondContact O-N 2.91Å; D66-K70 VanDerWaalsContact OD1-CE 3.32Å; D66-K70 WeakPolarHBondContact OD1-CE 3.4Å; D66-K70 IonicContact OD1-NZ 3.33Å; D66-K70 PolarHBondContact OD1-NZ 2.67Å; D66-K70 WeakPolarHBondContact OD2-CE 3.32Å; D66-K70 IonicContact OD2-NZ 2.67Å; D66-K70 PolarHBondContact OD2-NZ 3.33Å; A67-K70 PolarHBondContact O-N 3.24Å; Q68-K70 VanDerWaalsContact C-N 3.33Å; Q68-K70 PolarHBondContact O-N 2.93Å; K70-Q73 PolarHBondContact O-N 3.49Å; K70-A74 WeakPolarHBondContact O-CB 3.33Å; K70-A74 PolarHBondContact O-N 3.11Å |
| 71 | L | 96.5 | Very high | 96.4 | Very high | 99 Ų | 99 | 95.4 Ų | 95.4 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 176.2 | 179.6 | 63.1 | 0 | 0 | 0 | 110.5 | A67 Q68 Q73 A74 E75 | A67-L71 WeakPolarHBondContact O-CB 3.42Å; A67-L71 PolarHBondContact O-N 3.43Å; Q68-L71 PolarHBondContact O-N 3.46Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 3.07Å; L71-A74 PolarHBondContact O-N 3.37Å; L71-E75 HydrophobicContact CD1-CG 4.22Å; L71-E75 HydrophobicContact CG-CG 4.41Å; L71-E75 WeakPolarHBondContact O-CG 3.31Å; L71-E75 PolarHBondContact O-N 2.93Å |
| 72 | E | 96.2 | Very high | 96.5 | Very high | 141 Ų | 141 | 99.4 Ų | 99.4 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -41.4 | 177.9 | -172.3 | -179.1 | 176.3 | 0 | 0 | 111.6 | Q68 A74 K76 | Q68-E72 WeakPolarHBondContact O-CB 3.38Å; Q68-E72 PolarHBondContact O-N 2.99Å; E72-A74 PolarHBondContact O-N 3.48Å; E72-K76 VanDerWaalsContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CB 3.4Å; E72-K76 PolarHBondContact O-N 2.83Å |
| 73 | Q | 96.3 | Very high | 96.5 | Very high | 115 Ų | 115 | 96.2 Ų | 96.2 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 174.3 | -73.4 | 177 | 25.3 | 0 | 0 | 113 | E69 K70 L71 K77 | E69-Q73 WeakPolarHBondContact O-CB 3.27Å; E69-Q73 VanDerWaalsContact O-CG 3.27Å; E69-Q73 WeakPolarHBondContact O-CG 3.49Å; E69-Q73 PolarHBondContact O-N 3.02Å; K70-Q73 PolarHBondContact O-N 3.49Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 3.07Å; Q73-K77 VanDerWaalsContact O-CG 3.31Å; Q73-K77 WeakPolarHBondContact O-CG 3.31Å; Q73-K77 PolarHBondContact O-N 2.98Å; Q73-K77 VanDerWaalsContact O-N 3.11Å |
| 74 | A | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 97.9 Ų | 97.9 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.3 | -43 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K70 L71 E72 K77 A78 | K70-A74 WeakPolarHBondContact O-CB 3.33Å; K70-A74 PolarHBondContact O-N 3.11Å; L71-A74 PolarHBondContact O-N 3.37Å; E72-A74 PolarHBondContact O-N 3.48Å; A74-K77 PolarHBondContact O-N 3.27Å; A74-A78 WeakPolarHBondContact O-CB 3.37Å; A74-A78 PolarHBondContact O-N 3.45Å |
| 75 | E | 96.9 | Very high | 96.6 | Very high | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.5 | -73.7 | 179.8 | 167.6 | 0 | 0 | 110.7 | L71 K77 A78 T79 | L71-E75 HydrophobicContact CD1-CG 4.22Å; L71-E75 HydrophobicContact CG-CG 4.41Å; L71-E75 WeakPolarHBondContact O-CG 3.31Å; L71-E75 PolarHBondContact O-N 2.93Å; E75-K77 PolarHBondContact O-N 2.93Å; E75-A78 WeakPolarHBondContact O-CB 3.44Å; E75-A78 PolarHBondContact O-N 3.48Å; E75-A78 VanDerWaalsContact O-N 3.15Å; E75-T79 WeakPolarHBondContact O-CG2 3.46Å; E75-T79 PolarHBondContact O-N 3.32Å; E75-T79 PolarHBondContact O-OG1 3.15Å |
| 76 | K | 96.6 | Very high | 96.7 | Very high | 136 Ų | 136 | 94.4 Ų | 94.4 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -45.3 | 175.7 | -171.8 | 176.6 | -179 | 178.7 | 0 | 112.5 | E72 A78 T79 D80 | E72-K76 VanDerWaalsContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CB 3.4Å; E72-K76 PolarHBondContact O-N 2.83Å; K76-A78 VanDerWaalsContact C-N 3.33Å; K76-A78 PolarHBondContact O-N 2.74Å; K76-T79 WeakPolarHBondContact CA-OG1 3.37Å; K76-T79 PolarHBondContact O-N 2.86Å; K76-T79 PolarHBondContact O-OG1 2.9Å; K76-D80 VanDerWaalsContact O-CG 3.24Å; K76-D80 PolarHBondContact O-N 3.41Å |
| 77 | K | 96.8 | Very high | 96.8 | Very high | 146 Ų | 146 | 94.6 Ų | 94.6 | 64% | 0.635 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -38.3 | 175.7 | -75.5 | 175.6 | -175.9 | 177.2 | 0 | 112.5 | Q73 A74 E75 D80 A81 | Q73-K77 VanDerWaalsContact O-CG 3.31Å; Q73-K77 WeakPolarHBondContact O-CG 3.31Å; Q73-K77 PolarHBondContact O-N 2.98Å; Q73-K77 VanDerWaalsContact O-N 3.11Å; A74-K77 PolarHBondContact O-N 3.27Å; E75-K77 PolarHBondContact O-N 2.93Å; K77-D80 PolarHBondContact O-N 3.31Å; K77-A81 WeakPolarHBondContact O-CB 3.5Å; K77-A81 PolarHBondContact O-N 3.49Å |
| 78 | A | 96.7 | Very high | 96.8 | Very high | 48 Ų | 48 | 96.6 Ų | 96.6 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | A74 E75 K76 D80 A81 E82 | A74-A78 WeakPolarHBondContact O-CB 3.37Å; A74-A78 PolarHBondContact O-N 3.45Å; E75-A78 WeakPolarHBondContact O-CB 3.44Å; E75-A78 PolarHBondContact O-N 3.48Å; E75-A78 VanDerWaalsContact O-N 3.15Å; K76-A78 VanDerWaalsContact C-N 3.33Å; K76-A78 PolarHBondContact O-N 2.74Å; A78-D80 VanDerWaalsContact C-N 3.35Å; A78-D80 PolarHBondContact O-N 3.05Å; A78-A81 PolarHBondContact O-N 2.87Å; A78-E82 WeakPolarHBondContact O-CB 3.48Å; A78-E82 WeakPolarHBondContact O-CG 3.49Å; A78-E82 PolarHBondContact O-N 3.28Å |
| 79 | T | 96.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 95 Ų | 95 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | E75 K76 E82 A83 | E75-T79 WeakPolarHBondContact O-CG2 3.46Å; E75-T79 PolarHBondContact O-N 3.32Å; E75-T79 PolarHBondContact O-OG1 3.15Å; K76-T79 WeakPolarHBondContact CA-OG1 3.37Å; K76-T79 PolarHBondContact O-N 2.86Å; K76-T79 PolarHBondContact O-OG1 2.9Å; T79-E82 PolarHBondContact O-N 3.46Å; T79-A83 WeakPolarHBondContact O-CB 3.47Å; T79-A83 PolarHBondContact O-N 2.98Å |
| 80 | D | 96.8 | Very high | 97 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 176 | -69.3 | -20.7 | 0 | 0 | 0 | 110.6 | K76 K77 A78 A83 D84 | K76-D80 VanDerWaalsContact O-CG 3.24Å; K76-D80 PolarHBondContact O-N 3.41Å; K77-D80 PolarHBondContact O-N 3.31Å; A78-D80 VanDerWaalsContact C-N 3.35Å; A78-D80 PolarHBondContact O-N 3.05Å; D80-A83 WeakPolarHBondContact O-CB 3.35Å; D80-A83 PolarHBondContact O-N 3.45Å; D80-D84 PolarHBondContact O-N 3.3Å |
| 81 | A | 96.7 | Very high | 97 | Very high | 51 Ų | 51 | 100.8 Ų | 100.8 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K77 A78 A83 D84 V85 | K77-A81 WeakPolarHBondContact O-CB 3.5Å; K77-A81 PolarHBondContact O-N 3.49Å; A78-A81 PolarHBondContact O-N 2.87Å; A81-A83 VanDerWaalsContact C-N 3.33Å; A81-D84 PolarHBondContact O-N 3.39Å; A81-V85 WeakPolarHBondContact O-CG2 3.45Å; A81-V85 PolarHBondContact O-N 3.46Å |
| 82 | E | 96.2 | Very high | 97.1 | Very high | 140 Ų | 140 | 100.1 Ų | 100.1 | 65% | 0.654 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 174.3 | -76.2 | 179.1 | 177 | 0 | 0 | 111.6 | A78 T79 V85 A86 | A78-E82 WeakPolarHBondContact O-CB 3.48Å; A78-E82 WeakPolarHBondContact O-CG 3.49Å; A78-E82 PolarHBondContact O-N 3.28Å; T79-E82 PolarHBondContact O-N 3.46Å; E82-V85 PolarHBondContact O-N 2.96Å; E82-A86 WeakPolarHBondContact O-CB 3.34Å; E82-A86 PolarHBondContact O-N 2.9Å |
| 83 | A | 96.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | T79 D80 A81 A86 S87 | T79-A83 WeakPolarHBondContact O-CB 3.47Å; T79-A83 PolarHBondContact O-N 2.98Å; D80-A83 WeakPolarHBondContact O-CB 3.35Å; D80-A83 PolarHBondContact O-N 3.45Å; A81-A83 VanDerWaalsContact C-N 3.33Å; A83-A86 PolarHBondContact O-N 3.16Å; A83-S87 WeakPolarHBondContact O-CB 3.44Å; A83-S87 PolarHBondContact O-N 3.33Å |
| 84 | D | 97.6 | Very high | 97.3 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -44 | 175.9 | -78.3 | -16.7 | 0 | 0 | 0 | 112.2 | D80 A81 A86 S87 L88 | D80-D84 PolarHBondContact O-N 3.3Å; A81-D84 PolarHBondContact O-N 3.39Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-A86 PolarHBondContact O-N 3.46Å; D84-S87 WeakPolarHBondContact O-CB 3.32Å; D84-S87 PolarHBondContact O-N 2.91Å; D84-L88 WeakPolarHBondContact O-CB 3.41Å; D84-L88 WeakPolarHBondContact O-CG 3.46Å; D84-L88 PolarHBondContact O-N 2.97Å |
| 85 | V | 97.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 99.5 Ų | 99.5 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.3 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | A81 E82 S87 L88 N89 | A81-V85 WeakPolarHBondContact O-CG2 3.45Å; A81-V85 PolarHBondContact O-N 3.46Å; E82-V85 PolarHBondContact O-N 2.96Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-S87 PolarHBondContact O-N 3.21Å; V85-L88 PolarHBondContact O-N 2.95Å; V85-N89 WeakPolarHBondContact O-CB 3.4Å; V85-N89 VanDerWaalsContact O-CG 3.29Å; V85-N89 PolarHBondContact O-N 2.83Å; V85-N89 PolarHBondContact O-ND2 3.31Å |
| 86 | A | 97.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 99.2 Ų | 99.2 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E82 A83 D84 R90 | E82-A86 WeakPolarHBondContact O-CB 3.34Å; E82-A86 PolarHBondContact O-N 2.9Å; A83-A86 PolarHBondContact O-N 3.16Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-A86 PolarHBondContact O-N 3.46Å; A86-R90 WeakPolarHBondContact O-CG 3.47Å; A86-R90 PolarHBondContact O-N 3.12Å; A86-R90 VanDerWaalsContact O-N 3.16Å |
| 87 | S | 97.7 | Very high | 97.5 | Very high | 75 Ų | 75 | 97.4 Ų | 97.4 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | A83 D84 V85 R90 R91 | A83-S87 WeakPolarHBondContact O-CB 3.44Å; A83-S87 PolarHBondContact O-N 3.33Å; D84-S87 WeakPolarHBondContact O-CB 3.32Å; D84-S87 PolarHBondContact O-N 2.91Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-S87 PolarHBondContact O-N 3.21Å; S87-R90 PolarHBondContact O-N 2.99Å; S87-R91 PolarHBondContact O-N 3.36Å |
| 88 | L | 98.2 | Very high | 97.5 | Very high | 97 Ų | 97 | 96.5 Ų | 96.5 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.7 | -73.3 | 173.2 | 0 | 0 | 0 | 112 | D84 V85 R90 R91 I92 | D84-L88 WeakPolarHBondContact O-CB 3.41Å; D84-L88 WeakPolarHBondContact O-CG 3.46Å; D84-L88 PolarHBondContact O-N 2.97Å; V85-L88 PolarHBondContact O-N 2.95Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 2.84Å; L88-R91 WeakPolarHBondContact O-CB 3.34Å; L88-R91 PolarHBondContact O-N 3.37Å; L88-R91 VanDerWaalsContact O-N 3.12Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.4Å |
| 89 | N | 98.2 | Very high | 97.6 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 176.3 | -76.5 | -26.4 | 0 | 0 | 0 | 112.1 | V85 R91 I92 Q93 | V85-N89 WeakPolarHBondContact O-CB 3.4Å; V85-N89 VanDerWaalsContact O-CG 3.29Å; V85-N89 PolarHBondContact O-N 2.83Å; V85-N89 PolarHBondContact O-ND2 3.31Å; N89-R91 VanDerWaalsContact C-N 3.31Å; N89-R91 PolarHBondContact O-N 3.47Å; N89-I92 PolarHBondContact O-N 3.28Å; N89-Q93 WeakPolarHBondContact O-CG 3.44Å; N89-Q93 PolarHBondContact O-N 3.11Å; N89-Q93 VanDerWaalsContact O-N 3.11Å |
| 90 | R | 97.3 | Very high | 97.7 | Very high | 178 Ų | 178 | 99.2 Ų | 99.2 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 173.2 | -71.9 | 174.4 | -176.6 | 178.1 | 2.8 | 111.6 | A86 S87 L88 Q93 L94 | A86-R90 WeakPolarHBondContact O-CG 3.47Å; A86-R90 PolarHBondContact O-N 3.12Å; A86-R90 VanDerWaalsContact O-N 3.16Å; S87-R90 PolarHBondContact O-N 2.99Å; L88-R90 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 2.84Å; R90-Q93 PolarHBondContact O-N 3.11Å; R90-L94 WeakPolarHBondContact O-CG 3.34Å; R90-L94 PolarHBondContact O-N 3.14Å; R90-L94 VanDerWaalsContact O-N 3.11Å |
| 91 | R | 98.1 | Very high | 97.7 | Very high | 174 Ų | 174 | 101.6 Ų | 101.6 | 66% | 0.657 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | 177.6 | -174.8 | 177.7 | 173.4 | -175.7 | -2.6 | 112.4 | S87 L88 N89 L94 V95 | S87-R91 PolarHBondContact O-N 3.36Å; L88-R91 WeakPolarHBondContact O-CB 3.34Å; L88-R91 PolarHBondContact O-N 3.37Å; L88-R91 VanDerWaalsContact O-N 3.12Å; N89-R91 VanDerWaalsContact C-N 3.31Å; N89-R91 PolarHBondContact O-N 3.47Å; R91-L94 PolarHBondContact O-N 3.01Å; R91-V95 WeakPolarHBondContact O-CG2 3.43Å; R91-V95 PolarHBondContact O-N 2.96Å |
| 92 | I | 98.2 | Very high | 97.8 | Very high | 86 Ų | 86 | 101.7 Ų | 101.7 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 175.5 | -71.8 | 166 | 0 | 0 | 0 | 109.7 | L88 N89 L94 V95 E96 | L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.4Å; N89-I92 PolarHBondContact O-N 3.28Å; I92-L94 VanDerWaalsContact C-N 3.34Å; I92-L94 PolarHBondContact O-N 2.87Å; I92-V95 PolarHBondContact O-N 3.34Å; I92-V95 VanDerWaalsContact O-N 3.14Å; I92-E96 HydrophobicContact CG2-CG 4.3Å; I92-E96 WeakPolarHBondContact O-CG 3.36Å; I92-E96 PolarHBondContact O-N 3.47Å |
| 93 | Q | 97.9 | Very high | 97.9 | Very high | 118 Ų | 118 | 100.1 Ų | 100.1 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.8 | -44.6 | 178 | -72.1 | 177.3 | -19.5 | 0 | 0 | 112.6 | N89 R90 V95 E96 E97 | N89-Q93 WeakPolarHBondContact O-CG 3.44Å; N89-Q93 PolarHBondContact O-N 3.11Å; N89-Q93 VanDerWaalsContact O-N 3.11Å; R90-Q93 PolarHBondContact O-N 3.11Å; Q93-V95 VanDerWaalsContact C-N 3.34Å; Q93-V95 PolarHBondContact O-N 3.36Å; Q93-E96 PolarHBondContact O-N 3.46Å; Q93-E97 WeakPolarHBondContact O-CG 3.35Å; Q93-E97 PolarHBondContact O-N 3.14Å |
| 94 | L | 97.9 | Very high | 98 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.4 | -70.9 | 171.4 | 0 | 0 | 0 | 112.4 | R90 R91 I92 E98 | R90-L94 WeakPolarHBondContact O-CG 3.34Å; R90-L94 PolarHBondContact O-N 3.14Å; R90-L94 VanDerWaalsContact O-N 3.11Å; R91-L94 PolarHBondContact O-N 3.01Å; I92-L94 VanDerWaalsContact C-N 3.34Å; I92-L94 PolarHBondContact O-N 2.87Å; L94-E98 WeakPolarHBondContact O-CG 3.25Å; L94-E98 PolarHBondContact O-N 3.46Å |
| 95 | V | 98.3 | Very high | 98 | Very high | 77 Ų | 77 | 107.9 Ų | 107.9 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 178.2 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | R91 I92 Q93 E98 L99 | R91-V95 WeakPolarHBondContact O-CG2 3.43Å; R91-V95 PolarHBondContact O-N 2.96Å; I92-V95 PolarHBondContact O-N 3.34Å; I92-V95 VanDerWaalsContact O-N 3.14Å; Q93-V95 VanDerWaalsContact C-N 3.34Å; Q93-V95 PolarHBondContact O-N 3.36Å; V95-E98 PolarHBondContact O-N 2.93Å; V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 PolarHBondContact O-N 3.45Å |
| 96 | E | 98.2 | Very high | 98 | Very high | 108 Ų | 108 | 108.9 Ų | 108.9 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.5 | -72.8 | 174.3 | 158.9 | 0 | 0 | 111.1 | I92 Q93 E98 L99 D100 | I92-E96 HydrophobicContact CG2-CG 4.3Å; I92-E96 WeakPolarHBondContact O-CG 3.36Å; I92-E96 PolarHBondContact O-N 3.47Å; Q93-E96 PolarHBondContact O-N 3.46Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 3.37Å; E96-L99 WeakPolarHBondContact O-CB 3.37Å; E96-L99 PolarHBondContact O-N 3.01Å; E96-D100 PolarHBondContact O-N 2.88Å |
| 97 | E | 97.7 | Very high | 98.1 | Very high | 97 Ų | 97 | 109.5 Ų | 109.5 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 174.7 | -73.3 | -177.9 | -162.5 | 0 | 0 | 112.8 | Q93 R101 | Q93-E97 WeakPolarHBondContact O-CG 3.35Å; Q93-E97 PolarHBondContact O-N 3.14Å; E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.37Å; E97-R101 PolarHBondContact O-N 2.89Å; E97-R101 VanDerWaalsContact O-N 3.14Å; E97-R101 IonicContact OE2-NH2 3.55Å |
| 98 | E | 98.2 | Very high | 98.1 | Very high | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 174.8 | -77.8 | -178.4 | 175 | 0 | 0 | 112.2 | L94 V95 E96 A102 | L94-E98 WeakPolarHBondContact O-CG 3.25Å; L94-E98 PolarHBondContact O-N 3.46Å; V95-E98 PolarHBondContact O-N 2.93Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 3.37Å; E98-A102 WeakPolarHBondContact O-CB 3.49Å; E98-A102 PolarHBondContact O-N 3.19Å |
| 99 | L | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 107.1 Ų | 107.1 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 176.2 | 179.2 | 61.9 | 0 | 0 | 0 | 111.1 | V95 E96 R101 A102 Q103 | V95-L99 WeakPolarHBondContact O-CB 3.38Å; V95-L99 PolarHBondContact O-N 3.45Å; E96-L99 WeakPolarHBondContact O-CB 3.37Å; E96-L99 PolarHBondContact O-N 3.01Å; L99-R101 PolarHBondContact O-N 2.93Å; L99-A102 WeakPolarHBondContact O-CB 3.36Å; L99-A102 PolarHBondContact O-N 3.36Å; L99-A102 VanDerWaalsContact O-N 3.14Å; L99-Q103 HydrophobicContact CD1-CG 4.39Å; L99-Q103 WeakPolarHBondContact O-CG 3.46Å; L99-Q103 PolarHBondContact O-N 3.18Å |
| 100 | D | 98.1 | Very high | 98.1 | Very high | 90 Ų | 90 | 107.7 Ų | 107.7 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 178 | -72.4 | -17.4 | 0 | 0 | 0 | 110.9 | E96 A102 Q103 E104 | E96-D100 PolarHBondContact O-N 2.88Å; D100-A102 VanDerWaalsContact C-N 3.31Å; D100-A102 PolarHBondContact O-N 3.4Å; D100-Q103 PolarHBondContact O-N 2.95Å; D100-E104 WeakPolarHBondContact O-CG 3.45Å; D100-E104 PolarHBondContact O-N 3.14Å |
| 101 | R | 97.8 | Very high | 98.2 | Very high | 137 Ų | 137 | 104.6 Ų | 104.6 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 175.3 | -71.3 | 173.8 | -168.8 | 173.6 | 11.2 | 112.7 | E97 L99 R105 | E97-R101 VanDerWaalsContact O-CG 3.25Å; E97-R101 WeakPolarHBondContact O-CG 3.37Å; E97-R101 PolarHBondContact O-N 2.89Å; E97-R101 VanDerWaalsContact O-N 3.14Å; E97-R101 IonicContact OE2-NH2 3.55Å; L99-R101 PolarHBondContact O-N 2.93Å; R101-R105 VanDerWaalsContact O-CG 3.25Å; R101-R105 WeakPolarHBondContact O-CG 3.4Å; R101-R105 PolarHBondContact O-N 3.24Å; R101-R105 VanDerWaalsContact O-N 3.15Å |
| 102 | A | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 102.9 Ų | 102.9 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | E98 L99 D100 R105 L106 | E98-A102 WeakPolarHBondContact O-CB 3.49Å; E98-A102 PolarHBondContact O-N 3.19Å; L99-A102 WeakPolarHBondContact O-CB 3.36Å; L99-A102 PolarHBondContact O-N 3.36Å; L99-A102 VanDerWaalsContact O-N 3.14Å; D100-A102 VanDerWaalsContact C-N 3.31Å; D100-A102 PolarHBondContact O-N 3.4Å; A102-R105 PolarHBondContact O-N 2.92Å; A102-L106 WeakPolarHBondContact O-CB 3.47Å; A102-L106 PolarHBondContact O-N 2.9Å |
| 103 | Q | 98.3 | Very high | 98.2 | Very high | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 176.5 | -72.4 | 179.5 | -2 | 0 | 0 | 112.2 | L99 D100 R105 L106 A107 | L99-Q103 HydrophobicContact CD1-CG 4.39Å; L99-Q103 WeakPolarHBondContact O-CG 3.46Å; L99-Q103 PolarHBondContact O-N 3.18Å; D100-Q103 PolarHBondContact O-N 2.95Å; Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 2.85Å; Q103-L106 PolarHBondContact O-N 3.01Å; Q103-A107 WeakPolarHBondContact O-CB 3.25Å; Q103-A107 PolarHBondContact O-N 3.44Å |
| 104 | E | 98 | Very high | 98.2 | Very high | 136 Ų | 136 | 102.2 Ų | 102.2 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 174.8 | -73.3 | -178.6 | 167.3 | 0 | 0 | 112.1 | D100 A107 T108 | D100-E104 WeakPolarHBondContact O-CG 3.45Å; D100-E104 PolarHBondContact O-N 3.14Å; E104-A107 PolarHBondContact O-N 3.43Å; E104-T108 PolarHBondContact O-N 3.15Å; E104-T108 PolarHBondContact O-OG1 3.41Å |
| 105 | R | 98 | Very high | 98.2 | Very high | 190 Ų | 190 | 102.3 Ų | 102.3 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 175.1 | -74.3 | 173 | -179.1 | 179.2 | 1.9 | 111.8 | R101 A102 Q103 T108 A109 | R101-R105 VanDerWaalsContact O-CG 3.25Å; R101-R105 WeakPolarHBondContact O-CG 3.4Å; R101-R105 PolarHBondContact O-N 3.24Å; R101-R105 VanDerWaalsContact O-N 3.15Å; A102-R105 PolarHBondContact O-N 2.92Å; Q103-R105 VanDerWaalsContact C-N 3.33Å; Q103-R105 PolarHBondContact O-N 2.85Å; R105-T108 PolarHBondContact O-N 3.16Å; R105-A109 WeakPolarHBondContact O-CB 3.39Å; R105-A109 PolarHBondContact O-N 2.99Å |
| 106 | L | 98.1 | Very high | 98.2 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 176.8 | 178.6 | 62.1 | 0 | 0 | 0 | 111.1 | A102 Q103 T108 A109 L110 | A102-L106 WeakPolarHBondContact O-CB 3.47Å; A102-L106 PolarHBondContact O-N 2.9Å; Q103-L106 PolarHBondContact O-N 3.01Å; L106-T108 VanDerWaalsContact C-N 3.32Å; L106-T108 PolarHBondContact O-N 3.11Å; L106-A109 PolarHBondContact O-N 3.36Å; L106-A109 VanDerWaalsContact O-N 3.16Å; L106-L110 HydrophobicContact CD1-CD1 4.3Å; L106-L110 HydrophobicContact CD1-CG 4.24Å; L106-L110 HydrophobicContact CG-CD1 4.13Å; L106-L110 HydrophobicContact CG-CG 4.49Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.44Å |
| 107 | A | 98.4 | Very high | 98.2 | Very high | 58 Ų | 58 | 101.4 Ų | 101.4 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q103 E104 A109 L110 Q111 | Q103-A107 WeakPolarHBondContact O-CB 3.25Å; Q103-A107 PolarHBondContact O-N 3.44Å; E104-A107 PolarHBondContact O-N 3.43Å; A107-A109 VanDerWaalsContact C-N 3.35Å; A107-A109 PolarHBondContact O-N 2.89Å; A107-L110 PolarHBondContact O-N 2.92Å; A107-Q111 PolarHBondContact O-N 3.46Å |
| 108 | T | 98.2 | Very high | 98.2 | Very high | 69 Ų | 69 | 102 Ų | 102 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 176.1 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | E104 R105 L106 K112 | E104-T108 PolarHBondContact O-N 3.15Å; E104-T108 PolarHBondContact O-OG1 3.41Å; R105-T108 PolarHBondContact O-N 3.16Å; L106-T108 VanDerWaalsContact C-N 3.32Å; L106-T108 PolarHBondContact O-N 3.11Å; T108-K112 WeakPolarHBondContact O-CG 3.36Å; T108-K112 PolarHBondContact O-N 3.43Å; T108-K112 VanDerWaalsContact O-N 3.11Å |
| 109 | A | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | R105 L106 A107 K112 L113 | R105-A109 WeakPolarHBondContact O-CB 3.39Å; R105-A109 PolarHBondContact O-N 2.99Å; L106-A109 PolarHBondContact O-N 3.36Å; L106-A109 VanDerWaalsContact O-N 3.16Å; A107-A109 VanDerWaalsContact C-N 3.35Å; A107-A109 PolarHBondContact O-N 2.89Å; A109-K112 PolarHBondContact O-N 3.23Å; A109-L113 WeakPolarHBondContact O-CB 3.46Å; A109-L113 PolarHBondContact O-N 2.99Å |
| 110 | L | 98.5 | Very high | 98.2 | Very high | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 176 | -71.7 | 173.5 | 0 | 0 | 0 | 111.7 | L106 A107 K112 L113 E114 | L106-L110 HydrophobicContact CD1-CD1 4.3Å; L106-L110 HydrophobicContact CD1-CG 4.24Å; L106-L110 HydrophobicContact CG-CD1 4.13Å; L106-L110 HydrophobicContact CG-CG 4.49Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3.44Å; A107-L110 PolarHBondContact O-N 2.92Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 2.95Å; L110-L113 WeakPolarHBondContact O-CB 3.35Å; L110-L113 PolarHBondContact O-N 3.01Å; L110-E114 PolarHBondContact O-N 2.99Å |
| 111 | Q | 98.4 | Very high | 98.2 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -46 | 175.1 | -175.2 | -175.5 | -13.4 | 0 | 0 | 111.6 | A107 L113 E114 E115 | A107-Q111 PolarHBondContact O-N 3.46Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.46Å; Q111-E114 PolarHBondContact O-N 3.38Å; Q111-E115 PolarHBondContact NE2-OE1 2.95Å; Q111-E115 WeakPolarHBondContact O-CG 3.29Å; Q111-E115 PolarHBondContact O-N 3.44Å |
| 112 | K | 98.4 | Very high | 98.2 | Very high | 138 Ų | 138 | 96.7 Ų | 96.7 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -35.9 | 177.2 | -73.8 | 179 | 179.7 | -178 | 0 | 112.8 | T108 A109 L110 A116 | T108-K112 WeakPolarHBondContact O-CG 3.36Å; T108-K112 PolarHBondContact O-N 3.43Å; T108-K112 VanDerWaalsContact O-N 3.11Å; A109-K112 PolarHBondContact O-N 3.23Å; L110-K112 VanDerWaalsContact C-N 3.35Å; L110-K112 PolarHBondContact O-N 2.95Å; K112-A116 WeakPolarHBondContact O-CB 3.49Å; K112-A116 PolarHBondContact O-N 3.16Å |
| 113 | L | 98.3 | Very high | 98.2 | Very high | 92 Ų | 92 | 98.2 Ų | 98.2 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.5 | 180 | 63 | 0 | 0 | 0 | 110.6 | A109 L110 Q111 E115 A116 E117 | A109-L113 WeakPolarHBondContact O-CB 3.46Å; A109-L113 PolarHBondContact O-N 2.99Å; L110-L113 WeakPolarHBondContact O-CB 3.35Å; L110-L113 PolarHBondContact O-N 3.01Å; Q111-L113 VanDerWaalsContact C-N 3.3Å; Q111-L113 PolarHBondContact O-N 3.46Å; L113-E115 VanDerWaalsContact C-N 3.34Å; L113-E115 PolarHBondContact O-N 3.29Å; L113-A116 PolarHBondContact O-N 2.66Å; L113-A116 VanDerWaalsContact O-N 3.16Å; L113-E117 HydrophobicContact CD1-CG 4.46Å; L113-E117 WeakPolarHBondContact O-CG 3.39Å; L113-E117 PolarHBondContact O-N 2.91Å |
| 114 | E | 98.2 | Very high | 98.2 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 177.6 | -171 | -172 | 162.3 | 0 | 0 | 112 | L110 Q111 E117 K118 | L110-E114 PolarHBondContact O-N 2.99Å; Q111-E114 PolarHBondContact O-N 3.38Å; E114-E117 PolarHBondContact O-N 2.99Å; E114-K118 WeakPolarHBondContact O-CG 3.41Å; E114-K118 PolarHBondContact O-N 3.42Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 2.64Å; E114-K118 PolarHBondContact OE1-NZ 3.01Å |
| 115 | E | 98.1 | Very high | 98.2 | Very high | 106 Ų | 106 | 99.2 Ų | 99.2 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.6 | -72.8 | 171.9 | -169.6 | 0 | 0 | 111.9 | Q111 L113 A119 | Q111-E115 PolarHBondContact NE2-OE1 2.95Å; Q111-E115 WeakPolarHBondContact O-CG 3.29Å; Q111-E115 PolarHBondContact O-N 3.44Å; L113-E115 VanDerWaalsContact C-N 3.34Å; L113-E115 PolarHBondContact O-N 3.29Å; E115-A119 WeakPolarHBondContact O-CB 3.35Å; E115-A119 PolarHBondContact O-N 3.42Å |
| 116 | A | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 91.8 Ų | 91.8 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K112 L113 A119 A120 | K112-A116 WeakPolarHBondContact O-CB 3.49Å; K112-A116 PolarHBondContact O-N 3.16Å; L113-A116 PolarHBondContact O-N 2.66Å; L113-A116 VanDerWaalsContact O-N 3.16Å; A116-A119 PolarHBondContact O-N 3.39Å; A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 2.86Å |
| 117 | E | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 92.4 Ų | 92.4 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 174.6 | -74.8 | 177.5 | 166.5 | 0 | 0 | 111.1 | L113 E114 A119 A120 D121 | L113-E117 HydrophobicContact CD1-CG 4.46Å; L113-E117 WeakPolarHBondContact O-CG 3.39Å; L113-E117 PolarHBondContact O-N 2.91Å; E114-E117 PolarHBondContact O-N 2.99Å; E117-A119 VanDerWaalsContact C-N 3.35Å; E117-A119 PolarHBondContact O-N 2.96Å; E117-A120 PolarHBondContact O-N 2.93Å; E117-D121 PolarHBondContact O-N 3.19Å |
| 118 | K | 98.3 | Very high | 98.2 | Very high | 109 Ų | 109 | 94.3 Ų | 94.3 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 174.8 | -73.2 | 173.3 | -174.1 | 165.8 | 0 | 112.1 | E114 A120 D121 E122 | E114-K118 WeakPolarHBondContact O-CG 3.41Å; E114-K118 PolarHBondContact O-N 3.42Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 2.64Å; E114-K118 PolarHBondContact OE1-NZ 3.01Å; K118-A120 VanDerWaalsContact C-N 3.32Å; K118-A120 PolarHBondContact O-N 3.46Å; K118-D121 PolarHBondContact O-N 2.98Å; K118-E122 WeakPolarHBondContact O-CG 3.41Å; K118-E122 PolarHBondContact O-N 3.43Å |
| 119 | A | 98 | Very high | 98.2 | Very high | 56 Ų | 56 | 95.9 Ų | 95.9 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E115 A116 E117 S123 | E115-A119 WeakPolarHBondContact O-CB 3.35Å; E115-A119 PolarHBondContact O-N 3.42Å; A116-A119 PolarHBondContact O-N 3.39Å; E117-A119 VanDerWaalsContact C-N 3.35Å; E117-A119 PolarHBondContact O-N 2.96Å; A119-S123 WeakPolarHBondContact O-CB 3.43Å; A119-S123 PolarHBondContact O-N 3.39Å |
| 120 | A | 98.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 99.1 Ų | 99.1 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A116 E117 K118 E122 S123 E124 | A116-A120 WeakPolarHBondContact O-CB 3.4Å; A116-A120 PolarHBondContact O-N 2.86Å; E117-A120 PolarHBondContact O-N 2.93Å; K118-A120 VanDerWaalsContact C-N 3.32Å; K118-A120 PolarHBondContact O-N 3.46Å; A120-E122 VanDerWaalsContact C-N 3.32Å; A120-E122 PolarHBondContact O-N 2.88Å; A120-S123 WeakPolarHBondContact O-CB 3.47Å; A120-S123 PolarHBondContact O-N 3.19Å; A120-E124 PolarHBondContact O-N 3.42Å |
| 121 | D | 98 | Very high | 98.2 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 175.8 | -78 | -7.8 | 0 | 0 | 0 | 111.9 | E117 K118 E124 R125 | E117-D121 PolarHBondContact O-N 3.19Å; K118-D121 PolarHBondContact O-N 2.98Å; D121-E124 PolarHBondContact O-N 3.04Å; D121-R125 VanDerWaalsContact O-CG 3.31Å; D121-R125 WeakPolarHBondContact O-CG 3.37Å; D121-R125 PolarHBondContact O-N 3.43Å |
| 122 | E | 98 | Very high | 98.1 | Very high | 137 Ų | 137 | 99.4 Ų | 99.4 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 174.8 | -75.2 | 178.7 | 179.1 | 0 | 0 | 112 | K118 A120 R125 G126 | K118-E122 WeakPolarHBondContact O-CG 3.41Å; K118-E122 PolarHBondContact O-N 3.43Å; A120-E122 VanDerWaalsContact C-N 3.32Å; A120-E122 PolarHBondContact O-N 2.88Å; E122-R125 PolarHBondContact O-N 2.88Å; E122-G126 PolarHBondContact O-N 3.32Å |
| 123 | S | 98 | Very high | 98.1 | Very high | 86 Ų | 86 | 101.2 Ų | 101.2 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -41 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | A119 A120 G126 M127 | A119-S123 WeakPolarHBondContact O-CB 3.43Å; A119-S123 PolarHBondContact O-N 3.39Å; A120-S123 WeakPolarHBondContact O-CB 3.47Å; A120-S123 PolarHBondContact O-N 3.19Å; S123-G126 PolarHBondContact O-N 2.89Å; S123-M127 WeakPolarHBondContact O-CB 3.31Å; S123-M127 PolarHBondContact O-N 3.34Å |
| 124 | E | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.9 | -167.5 | -168.5 | 148.2 | 0 | 0 | 111.3 | A120 D121 M127 K128 | A120-E124 PolarHBondContact O-N 3.42Å; D121-E124 PolarHBondContact O-N 3.04Å; E124-M127 PolarHBondContact O-N 3.03Å; E124-K128 WeakPolarHBondContact O-CG 3.45Å; E124-K128 PolarHBondContact O-N 2.97Å; E124-K128 WeakPolarHBondContact OE1-CE 3.35Å; E124-K128 IonicContact OE1-NZ 3.92Å; E124-K128 PolarHBondContact OE1-NZ 2.64Å |
| 125 | R | 98.2 | Very high | 98.1 | Very high | 176 Ų | 176 | 99.8 Ų | 99.8 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 174.2 | -72 | 173.7 | -176.4 | -176.3 | 4.2 | 111.6 | D121 E122 M127 K128 V129 | D121-R125 VanDerWaalsContact O-CG 3.31Å; D121-R125 WeakPolarHBondContact O-CG 3.37Å; D121-R125 PolarHBondContact O-N 3.43Å; E122-R125 PolarHBondContact O-N 2.88Å; R125-M127 VanDerWaalsContact C-N 3.35Å; R125-M127 PolarHBondContact O-N 3.34Å; R125-K128 PolarHBondContact O-N 3.5Å; R125-V129 WeakPolarHBondContact O-CG2 3.41Å; R125-V129 PolarHBondContact O-N 3.38Å |
| 126 | G | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 101.4 Ų | 101.4 | 35% | 0.351 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E122 S123 V129 I130 | E122-G126 PolarHBondContact O-N 3.32Å; S123-G126 PolarHBondContact O-N 2.89Å; G126-V129 PolarHBondContact O-N 3.25Å; G126-I130 WeakPolarHBondContact O-CG1 3.45Å; G126-I130 PolarHBondContact O-N 3.06Å |
| 127 | M | 98.1 | Very high | 98.2 | Very high | 115 Ų | 115 | 102.8 Ų | 102.8 | 57% | 0.567 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.2 | -48.1 | 176.3 | -173.7 | -179 | 75.4 | 0 | 0 | 111.6 | S123 E124 R125 V129 I130 E131 | S123-M127 WeakPolarHBondContact O-CB 3.31Å; S123-M127 PolarHBondContact O-N 3.34Å; E124-M127 PolarHBondContact O-N 3.03Å; R125-M127 VanDerWaalsContact C-N 3.35Å; R125-M127 PolarHBondContact O-N 3.34Å; M127-V129 VanDerWaalsContact C-N 3.29Å; M127-V129 PolarHBondContact O-N 3.16Å; M127-I130 PolarHBondContact O-N 3.33Å; M127-I130 VanDerWaalsContact O-N 3.16Å; M127-E131 WeakPolarHBondContact O-CB 3.37Å; M127-E131 PolarHBondContact O-N 2.87Å |
| 128 | K | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 102.8 Ų | 102.8 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.8 | -37 | 177.1 | -78 | 173.4 | 171.5 | 164.8 | 0 | 112.8 | E124 R125 N132 | E124-K128 WeakPolarHBondContact O-CG 3.45Å; E124-K128 PolarHBondContact O-N 2.97Å; E124-K128 WeakPolarHBondContact OE1-CE 3.35Å; E124-K128 IonicContact OE1-NZ 3.92Å; E124-K128 PolarHBondContact OE1-NZ 2.64Å; R125-K128 PolarHBondContact O-N 3.5Å; K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 2.95Å; K128-N132 PolarHBondContact O-ND2 3.3Å |
| 129 | V | 98.4 | Very high | 98.2 | Very high | 102 Ų | 102 | 102.6 Ų | 102.6 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -43.4 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | R125 G126 M127 R133 | R125-V129 WeakPolarHBondContact O-CG2 3.41Å; R125-V129 PolarHBondContact O-N 3.38Å; G126-V129 PolarHBondContact O-N 3.25Å; M127-V129 VanDerWaalsContact C-N 3.29Å; M127-V129 PolarHBondContact O-N 3.16Å; V129-R133 WeakPolarHBondContact O-CB 3.42Å; V129-R133 PolarHBondContact O-N 2.99Å |
| 130 | I | 97.6 | Very high | 98.2 | Very high | 121 Ų | 121 | 105.5 Ų | 105.5 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | 178.1 | -67.5 | 168.1 | 0 | 0 | 0 | 110.6 | G126 M127 R133 A134 | G126-I130 WeakPolarHBondContact O-CG1 3.45Å; G126-I130 PolarHBondContact O-N 3.06Å; M127-I130 PolarHBondContact O-N 3.33Å; M127-I130 VanDerWaalsContact O-N 3.16Å; I130-R133 WeakPolarHBondContact O-CB 3.48Å; I130-R133 PolarHBondContact O-N 3.21Å; I130-A134 WeakPolarHBondContact O-CB 3.48Å; I130-A134 PolarHBondContact O-N 3.17Å |
| 131 | E | 98 | Very high | 98.2 | Very high | 125 Ų | 125 | 107.6 Ų | 107.6 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.4 | -48.5 | 177 | -174.7 | 178.3 | -162.4 | 0 | 0 | 111.6 | M127 R133 A134 M135 | M127-E131 WeakPolarHBondContact O-CB 3.37Å; M127-E131 PolarHBondContact O-N 2.87Å; E131-R133 PolarHBondContact O-N 2.83Å; E131-A134 PolarHBondContact O-N 2.8Å; E131-M135 PolarHBondContact O-N 3.03Å |
| 132 | N | 98.1 | Very high | 98.2 | Very high | 94 Ų | 94 | 108.6 Ų | 108.6 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 175 | -80.4 | -59.5 | 0 | 0 | 0 | 112.8 | K128 K136 | K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 2.95Å; K128-N132 PolarHBondContact O-ND2 3.3Å; N132-K136 WeakPolarHBondContact O-CG 3.4Å; N132-K136 PolarHBondContact O-N 3.49Å |
| 133 | R | 98.5 | Very high | 98.2 | Very high | 175 Ų | 175 | 106.2 Ų | 106.2 | 66% | 0.66 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.9 | -44.7 | 175.9 | -177 | 177.4 | 178.9 | 169.2 | 1.4 | 111.2 | V129 I130 E131 M135 K136 D137 | V129-R133 WeakPolarHBondContact O-CB 3.42Å; V129-R133 PolarHBondContact O-N 2.99Å; I130-R133 WeakPolarHBondContact O-CB 3.48Å; I130-R133 PolarHBondContact O-N 3.21Å; E131-R133 PolarHBondContact O-N 2.83Å; R133-M135 VanDerWaalsContact C-N 3.33Å; R133-M135 PolarHBondContact O-N 3.32Å; R133-K136 PolarHBondContact O-N 2.92Å; R133-D137 IonicContact NE-OD2 3.65Å; R133-D137 WeakPolarHBondContact O-CB 3.39Å; R133-D137 PolarHBondContact O-N 3.45Å |
| 134 | A | 98.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 107.1 Ų | 107.1 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I130 E131 K136 D137 E138 | I130-A134 WeakPolarHBondContact O-CB 3.48Å; I130-A134 PolarHBondContact O-N 3.17Å; E131-A134 PolarHBondContact O-N 2.8Å; A134-K136 PolarHBondContact O-N 2.88Å; A134-D137 PolarHBondContact O-N 3.26Å; A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.46Å |
| 135 | M | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 107.5 Ų | 107.5 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.2 | -174.2 | -178.4 | 178.1 | 0 | 0 | 112.2 | E131 R133 D137 E138 E139 | E131-M135 PolarHBondContact O-N 3.03Å; R133-M135 VanDerWaalsContact C-N 3.33Å; R133-M135 PolarHBondContact O-N 3.32Å; M135-D137 PolarHBondContact O-N 3.24Å; M135-E138 PolarHBondContact O-N 2.97Å; M135-E139 WeakPolarHBondContact O-CG 3.35Å; M135-E139 PolarHBondContact O-N 3.24Å |
| 136 | K | 98.3 | Very high | 98.2 | Very high | 140 Ų | 140 | 104.6 Ų | 104.6 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | 177 | -74 | 177.4 | -179 | -178.3 | 0 | 113.1 | N132 R133 A134 E138 K140 | N132-K136 WeakPolarHBondContact O-CG 3.4Å; N132-K136 PolarHBondContact O-N 3.49Å; R133-K136 PolarHBondContact O-N 2.92Å; A134-K136 PolarHBondContact O-N 2.88Å; K136-E138 VanDerWaalsContact C-N 3.34Å; K136-K140 WeakPolarHBondContact O-CB 3.42Å; K136-K140 PolarHBondContact O-N 2.91Å; K136-K140 VanDerWaalsContact O-N 3.08Å |
| 137 | D | 98.4 | Very high | 98.3 | Very high | 85 Ų | 85 | 108 Ų | 108 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 177.1 | -73.8 | -22 | 0 | 0 | 0 | 110.5 | R133 A134 M135 K140 M141 | R133-D137 IonicContact NE-OD2 3.65Å; R133-D137 WeakPolarHBondContact O-CB 3.39Å; R133-D137 PolarHBondContact O-N 3.45Å; A134-D137 PolarHBondContact O-N 3.26Å; M135-D137 PolarHBondContact O-N 3.24Å; D137-K140 PolarHBondContact O-N 3.45Å; D137-M141 WeakPolarHBondContact O-CB 3.34Å; D137-M141 PolarHBondContact O-N 2.87Å |
| 138 | E | 98.3 | Very high | 98.3 | Very high | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -50.2 | 173.7 | -171.9 | 169.3 | -157.7 | 0 | 0 | 111.9 | A134 M135 K136 K140 M141 E142 | A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.46Å; M135-E138 PolarHBondContact O-N 2.97Å; K136-E138 VanDerWaalsContact C-N 3.34Å; E138-K140 VanDerWaalsContact C-N 3.26Å; E138-K140 PolarHBondContact O-N 3.08Å; E138-M141 WeakPolarHBondContact O-CB 3.36Å; E138-M141 PolarHBondContact O-N 3.2Å; E138-M141 VanDerWaalsContact O-N 3.08Å; E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.4Å |
| 139 | E | 98.1 | Very high | 98.3 | Very high | 104 Ų | 104 | 108.7 Ų | 108.7 | 49% | 0.486 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.4 | -40.9 | 174.7 | -72 | 173.9 | 173.2 | 0 | 0 | 112.2 | M135 L143 | M135-E139 WeakPolarHBondContact O-CG 3.35Å; M135-E139 PolarHBondContact O-N 3.24Å; E139-L143 PolarHBondContact O-N 3.08Å; E139-L143 VanDerWaalsContact O-N 3.1Å |
| 140 | K | 98.3 | Very high | 98.3 | Very high | 118 Ų | 118 | 109.8 Ų | 109.8 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 177.4 | -176.5 | 179.7 | 176.5 | -174.8 | 0 | 111.6 | K136 D137 E138 L143 Q144 | K136-K140 WeakPolarHBondContact O-CB 3.42Å; K136-K140 PolarHBondContact O-N 2.91Å; K136-K140 VanDerWaalsContact O-N 3.08Å; D137-K140 PolarHBondContact O-N 3.45Å; E138-K140 VanDerWaalsContact C-N 3.26Å; E138-K140 PolarHBondContact O-N 3.08Å; K140-L143 PolarHBondContact O-N 3.27Å; K140-Q144 WeakPolarHBondContact O-CB 3.46Å; K140-Q144 VanDerWaalsContact O-CG 3.29Å; K140-Q144 WeakPolarHBondContact O-CG 3.32Å; K140-Q144 PolarHBondContact O-N 2.93Å |
| 141 | M | 98.1 | Very high | 98.3 | Very high | 100 Ų | 100 | 106.6 Ų | 106.6 | 49% | 0.493 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 177.3 | -175.8 | 176.4 | 74.6 | 0 | 0 | 110.5 | D137 E138 L143 Q144 E145 | D137-M141 WeakPolarHBondContact O-CB 3.34Å; D137-M141 PolarHBondContact O-N 2.87Å; E138-M141 WeakPolarHBondContact O-CB 3.36Å; E138-M141 PolarHBondContact O-N 3.2Å; E138-M141 VanDerWaalsContact O-N 3.08Å; M141-L143 VanDerWaalsContact C-N 3.35Å; M141-L143 PolarHBondContact O-N 3.41Å; M141-Q144 PolarHBondContact O-N 3.1Å; M141-E145 WeakPolarHBondContact O-CG 3.39Å; M141-E145 PolarHBondContact O-N 2.96Å |
| 142 | E | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 175.8 | -70.3 | -176.7 | 167.7 | 0 | 0 | 112.2 | E138 Q144 E145 M146 | E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.4Å; E142-Q144 PolarHBondContact O-N 3.4Å; E142-E145 PolarHBondContact O-N 3.33Å; E142-M146 WeakPolarHBondContact O-CG 3.4Å; E142-M146 PolarHBondContact O-N 3.49Å |
| 143 | L | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 107.4 Ų | 107.4 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 176 | 179.7 | 63.9 | 0 | 0 | 0 | 111.9 | E139 K140 M141 E145 M146 Q147 | E139-L143 PolarHBondContact O-N 3.08Å; E139-L143 VanDerWaalsContact O-N 3.1Å; K140-L143 PolarHBondContact O-N 3.27Å; M141-L143 VanDerWaalsContact C-N 3.35Å; M141-L143 PolarHBondContact O-N 3.41Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.04Å; L143-M146 HydrophobicContact CD1-CE 4.16Å; L143-M146 PolarHBondContact O-N 3.02Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 3.03Å |
| 144 | Q | 98.2 | Very high | 98.3 | Very high | 105 Ų | 105 | 103.8 Ų | 103.8 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 178.7 | -73.7 | -179 | -37.3 | 0 | 0 | 112.1 | K140 M141 E142 Q147 L148 | K140-Q144 WeakPolarHBondContact O-CB 3.46Å; K140-Q144 VanDerWaalsContact O-CG 3.29Å; K140-Q144 WeakPolarHBondContact O-CG 3.32Å; K140-Q144 PolarHBondContact O-N 2.93Å; M141-Q144 PolarHBondContact O-N 3.1Å; E142-Q144 PolarHBondContact O-N 3.4Å; Q144-Q147 PolarHBondContact O-N 2.88Å; Q144-L148 WeakPolarHBondContact O-CB 3.47Å; Q144-L148 PolarHBondContact O-N 3.45Å |
| 145 | E | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 103.5 Ų | 103.5 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.2 | -76.6 | -173 | -177.5 | 0 | 0 | 112.4 | M141 E142 L143 L148 K149 | M141-E145 WeakPolarHBondContact O-CG 3.39Å; M141-E145 PolarHBondContact O-N 2.96Å; E142-E145 PolarHBondContact O-N 3.33Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.04Å; E145-L148 PolarHBondContact O-N 3.49Å; E145-K149 WeakPolarHBondContact O-CG 3.37Å; E145-K149 PolarHBondContact O-N 3.33Å |
| 146 | M | 98.4 | Very high | 98.3 | Very high | 115 Ų | 115 | 102.8 Ų | 102.8 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -47.5 | 174.4 | -71.7 | -170.7 | -68.4 | 0 | 0 | 111.3 | E142 L143 L148 K149 E150 | E142-M146 WeakPolarHBondContact O-CG 3.4Å; E142-M146 PolarHBondContact O-N 3.49Å; L143-M146 HydrophobicContact CD1-CE 4.16Å; L143-M146 PolarHBondContact O-N 3.02Å; M146-L148 VanDerWaalsContact C-N 3.31Å; M146-L148 PolarHBondContact O-N 2.99Å; M146-K149 PolarHBondContact O-N 3.02Å; M146-E150 PolarHBondContact O-N 2.87Å |
| 147 | Q | 98.4 | Very high | 98.3 | Very high | 107 Ų | 107 | 99.9 Ų | 99.9 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 177.2 | -72.4 | 178.5 | -17.1 | 0 | 0 | 112.4 | L143 Q144 E150 A151 | L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 3.03Å; Q144-Q147 PolarHBondContact O-N 2.88Å; Q147-E150 PolarHBondContact O-N 3.26Å; Q147-A151 VanDerWaalsContact O-CB 3.31Å; Q147-A151 WeakPolarHBondContact O-CB 3.48Å; Q147-A151 PolarHBondContact O-N 3.39Å |
| 148 | L | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 98 Ų | 98 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.4 | -179.4 | 63.4 | 0 | 0 | 0 | 111.8 | Q144 E145 M146 K152 | Q144-L148 WeakPolarHBondContact O-CB 3.47Å; Q144-L148 PolarHBondContact O-N 3.45Å; E145-L148 PolarHBondContact O-N 3.49Å; M146-L148 VanDerWaalsContact C-N 3.31Å; M146-L148 PolarHBondContact O-N 2.99Å; L148-K152 WeakPolarHBondContact O-CB 3.31Å; L148-K152 VanDerWaalsContact O-CG 3.3Å; L148-K152 WeakPolarHBondContact O-CG 3.34Å; L148-K152 PolarHBondContact O-N 3.2Å |
| 149 | K | 98.5 | Very high | 98.3 | Very high | 129 Ų | 129 | 97.4 Ų | 97.4 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 175.2 | -72.8 | 171.7 | -174.5 | 168.3 | 0 | 111.2 | E145 M146 K152 H153 | E145-K149 WeakPolarHBondContact O-CG 3.37Å; E145-K149 PolarHBondContact O-N 3.33Å; M146-K149 PolarHBondContact O-N 3.02Å; K149-K152 PolarHBondContact O-N 3.39Å; K149-H153 PolarHBondContact O-CD2 3.4Å; K149-H153 VanDerWaalsContact O-CD2 3.26Å; K149-H153 PolarHBondContact O-N 3.24Å; K149-H153 VanDerWaalsContact O-N 3.09Å |
| 150 | E | 98.1 | Very high | 98.3 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 177.1 | -172.9 | 177.2 | -173.7 | 0 | 0 | 111.9 | M146 Q147 K152 H153 I154 | M146-E150 PolarHBondContact O-N 2.87Å; Q147-E150 PolarHBondContact O-N 3.26Å; E150-K152 VanDerWaalsContact C-N 3.3Å; E150-K152 PolarHBondContact O-N 2.91Å; E150-H153 PolarHBondContact O-N 3Å; E150-H153 VanDerWaalsContact O-N 3.16Å; E150-I154 HydrophobicContact CG-CD1 4.13Å; E150-I154 WeakPolarHBondContact O-CG1 3.3Å; E150-I154 PolarHBondContact O-N 3.44Å |
| 151 | A | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q147 I154 A155 | Q147-A151 VanDerWaalsContact O-CB 3.31Å; Q147-A151 WeakPolarHBondContact O-CB 3.48Å; Q147-A151 PolarHBondContact O-N 3.39Å; A151-I154 PolarHBondContact O-N 3.43Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.09Å |
| 152 | K | 98.5 | Very high | 98.3 | Very high | 120 Ų | 120 | 104.1 Ų | 104.1 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 173.8 | -78.1 | 177.1 | 177.6 | -175.9 | 0 | 111.8 | L148 K149 E150 I154 A155 E156 | L148-K152 WeakPolarHBondContact O-CB 3.31Å; L148-K152 VanDerWaalsContact O-CG 3.3Å; L148-K152 WeakPolarHBondContact O-CG 3.34Å; L148-K152 PolarHBondContact O-N 3.2Å; K149-K152 PolarHBondContact O-N 3.39Å; E150-K152 VanDerWaalsContact C-N 3.3Å; E150-K152 PolarHBondContact O-N 2.91Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-I154 PolarHBondContact O-N 2.98Å; K152-A155 PolarHBondContact O-N 3.16Å; K152-E156 WeakPolarHBondContact O-CG 3.47Å; K152-E156 PolarHBondContact O-N 2.94Å |
| 153 | H | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 104.1 Ų | 104.1 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.9 | -76.4 | -50 | 0 | 0 | 0 | 112.5 | K149 E150 A155 E156 D157 | K149-H153 PolarHBondContact O-CD2 3.4Å; K149-H153 VanDerWaalsContact O-CD2 3.26Å; K149-H153 PolarHBondContact O-N 3.24Å; K149-H153 VanDerWaalsContact O-N 3.09Å; E150-H153 PolarHBondContact O-N 3Å; E150-H153 VanDerWaalsContact O-N 3.16Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.37Å; H153-E156 IonicContact ND1-OE2 3.69Å; H153-E156 PolarHBondContact O-N 2.87Å; H153-D157 WeakPolarHBondContact O-CB 3.41Å; H153-D157 PolarHBondContact O-N 3.47Å |
| 154 | I | 98.2 | Very high | 98.2 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.5 | -66.6 | 168 | 0 | 0 | 0 | 111.3 | E150 A151 K152 S158 | E150-I154 HydrophobicContact CG-CD1 4.13Å; E150-I154 WeakPolarHBondContact O-CG1 3.3Å; E150-I154 PolarHBondContact O-N 3.44Å; A151-I154 PolarHBondContact O-N 3.43Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-I154 PolarHBondContact O-N 2.98Å; I154-S158 WeakPolarHBondContact O-CB 3.42Å; I154-S158 PolarHBondContact O-N 2.89Å; I154-S158 PolarHBondContact O-OG 3.39Å |
| 155 | A | 98.4 | Very high | 98.2 | Very high | 50 Ų | 50 | 104.2 Ų | 104.2 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A151 K152 H153 D157 S158 D159 | A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.09Å; K152-A155 PolarHBondContact O-N 3.16Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.37Å; A155-D157 VanDerWaalsContact C-N 3.34Å; A155-D157 PolarHBondContact O-N 3.35Å; A155-S158 WeakPolarHBondContact O-CB 3.41Å; A155-S158 PolarHBondContact O-N 3.42Å; A155-S158 VanDerWaalsContact O-N 3.08Å; A155-D159 PolarHBondContact O-N 2.76Å |
| 156 | E | 97.9 | Very high | 98.2 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 177.4 | -72.5 | 171.2 | -174.6 | 0 | 0 | 112.3 | K152 H153 S158 D159 R160 | K152-E156 WeakPolarHBondContact O-CG 3.47Å; K152-E156 PolarHBondContact O-N 2.94Å; H153-E156 IonicContact ND1-OE2 3.69Å; H153-E156 PolarHBondContact O-N 2.87Å; E156-S158 VanDerWaalsContact C-N 3.31Å; E156-S158 PolarHBondContact O-N 3.08Å; E156-D159 PolarHBondContact O-N 3.02Å; E156-R160 WeakPolarHBondContact O-CG 3.33Å; E156-R160 PolarHBondContact O-N 2.87Å |
| 157 | D | 98.2 | Very high | 98.2 | Very high | 79 Ų | 79 | 104.9 Ų | 104.9 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.9 | -30.8 | 176.6 | -83 | -8.7 | 0 | 0 | 0 | 112.6 | H153 A155 R160 K161 | H153-D157 WeakPolarHBondContact O-CB 3.41Å; H153-D157 PolarHBondContact O-N 3.47Å; A155-D157 VanDerWaalsContact C-N 3.34Å; A155-D157 PolarHBondContact O-N 3.35Å; D157-R160 IonicContact OD1-NH1 2.65Å; D157-R160 PolarHBondContact OD1-NH1 3.36Å; D157-K161 WeakPolarHBondContact O-CG 3.45Å; D157-K161 PolarHBondContact O-N 3.18Å |
| 158 | S | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 105.1 Ų | 105.1 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 174.1 | -58.5 | 0 | 0 | 0 | 0 | 111 | I154 A155 E156 R160 K161 Y162 | I154-S158 WeakPolarHBondContact O-CB 3.42Å; I154-S158 PolarHBondContact O-N 2.89Å; I154-S158 PolarHBondContact O-OG 3.39Å; A155-S158 WeakPolarHBondContact O-CB 3.41Å; A155-S158 PolarHBondContact O-N 3.42Å; A155-S158 VanDerWaalsContact O-N 3.08Å; E156-S158 VanDerWaalsContact C-N 3.31Å; E156-S158 PolarHBondContact O-N 3.08Å; S158-R160 VanDerWaalsContact C-N 3.34Å; S158-R160 PolarHBondContact O-N 3.49Å; S158-K161 WeakPolarHBondContact O-CB 3.33Å; S158-K161 PolarHBondContact O-N 3.02Å; S158-K161 VanDerWaalsContact O-N 3.14Å; S158-Y162 WeakPolarHBondContact O-CD2 3.33Å; S158-Y162 PolarHBondContact O-N 2.94Å |
| 159 | D | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.3 | -73.3 | -17.7 | 0 | 0 | 0 | 111.3 | A155 E156 K161 Y162 E163 | A155-D159 PolarHBondContact O-N 2.76Å; E156-D159 PolarHBondContact O-N 3.02Å; D159-K161 VanDerWaalsContact C-N 3.32Å; D159-K161 PolarHBondContact O-N 3.2Å; D159-Y162 PolarHBondContact O-N 3.24Å; D159-E163 WeakPolarHBondContact O-CG 3.35Å; D159-E163 PolarHBondContact O-N 3.47Å |
| 160 | R | 98.2 | Very high | 98.2 | Very high | 156 Ų | 156 | 103.3 Ų | 103.3 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.1 | -41.7 | 173.6 | -73.6 | 172.6 | -178.1 | 167.1 | 0.7 | 112.8 | E156 D157 S158 E163 E164 | E156-R160 WeakPolarHBondContact O-CG 3.33Å; E156-R160 PolarHBondContact O-N 2.87Å; D157-R160 IonicContact OD1-NH1 2.65Å; D157-R160 PolarHBondContact OD1-NH1 3.36Å; S158-R160 VanDerWaalsContact C-N 3.34Å; S158-R160 PolarHBondContact O-N 3.49Å; R160-E163 PolarHBondContact O-N 3.45Å; R160-E164 PolarHBondContact O-N 3.02Å |
| 161 | K | 98.2 | Very high | 98.2 | Very high | 138 Ų | 138 | 102.2 Ų | 102.2 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 176.4 | -72.5 | 170.6 | -175.2 | 173.1 | 0 | 111.6 | D157 S158 D159 E164 V165 | D157-K161 WeakPolarHBondContact O-CG 3.45Å; D157-K161 PolarHBondContact O-N 3.18Å; S158-K161 WeakPolarHBondContact O-CB 3.33Å; S158-K161 PolarHBondContact O-N 3.02Å; S158-K161 VanDerWaalsContact O-N 3.14Å; D159-K161 VanDerWaalsContact C-N 3.32Å; D159-K161 PolarHBondContact O-N 3.2Å; K161-E164 PolarHBondContact O-N 3.36Å; K161-V165 WeakPolarHBondContact O-CG2 3.12Å; K161-V165 PolarHBondContact O-N 3.47Å |
| 162 | Y | 97.8 | Very high | 98.2 | Very high | 170 Ų | 170 | 104.5 Ų | 104.5 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 175.8 | -78.7 | -63.5 | 0 | 0 | 0 | 111.8 | S158 D159 E164 V165 A166 | S158-Y162 WeakPolarHBondContact O-CD2 3.33Å; S158-Y162 PolarHBondContact O-N 2.94Å; D159-Y162 PolarHBondContact O-N 3.24Å; Y162-E164 VanDerWaalsContact C-N 3.34Å; Y162-E164 PolarHBondContact O-N 3.27Å; Y162-V165 PolarHBondContact O-N 2.92Å; Y162-A166 WeakPolarHBondContact O-CB 3.29Å; Y162-A166 PolarHBondContact O-N 3.14Å |
| 163 | E | 97.9 | Very high | 98.2 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 173.5 | -73.9 | -173.6 | -172.9 | 0 | 0 | 112.2 | D159 R160 A166 R167 | D159-E163 WeakPolarHBondContact O-CG 3.35Å; D159-E163 PolarHBondContact O-N 3.47Å; R160-E163 PolarHBondContact O-N 3.45Å; E163-A166 PolarHBondContact O-N 3.37Å; E163-R167 VanDerWaalsContact O-CG 3.29Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.43Å; E163-R167 IonicContact OE2-NH2 3.24Å |
| 164 | E | 98.2 | Very high | 98.2 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.8 | -169 | -171.5 | 158.1 | 0 | 0 | 111.8 | R160 K161 Y162 R167 K168 | R160-E164 PolarHBondContact O-N 3.02Å; K161-E164 PolarHBondContact O-N 3.36Å; Y162-E164 VanDerWaalsContact C-N 3.34Å; Y162-E164 PolarHBondContact O-N 3.27Å; E164-R167 PolarHBondContact O-N 3.33Å; E164-K168 WeakPolarHBondContact O-CG 3.46Å; E164-K168 PolarHBondContact O-N 3.22Å; E164-K168 WeakPolarHBondContact OE1-CE 3.44Å; E164-K168 IonicContact OE1-NZ 2.66Å; E164-K168 PolarHBondContact OE1-NZ 3.35Å |
| 165 | V | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 99.2 Ų | 99.2 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K161 Y162 R167 K168 L169 | K161-V165 WeakPolarHBondContact O-CG2 3.12Å; K161-V165 PolarHBondContact O-N 3.47Å; Y162-V165 PolarHBondContact O-N 2.92Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.44Å; V165-K168 PolarHBondContact O-N 3.19Å; V165-L169 WeakPolarHBondContact O-CB 3.21Å; V165-L169 PolarHBondContact O-N 3.5Å |
| 166 | A | 98.2 | Very high | 98.3 | Very high | 53 Ų | 53 | 101.5 Ų | 101.5 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y162 E163 L169 V170 | Y162-A166 WeakPolarHBondContact O-CB 3.29Å; Y162-A166 PolarHBondContact O-N 3.14Å; E163-A166 PolarHBondContact O-N 3.37Å; A166-L169 PolarHBondContact O-N 2.99Å; A166-V170 WeakPolarHBondContact O-CG2 3.43Å; A166-V170 PolarHBondContact O-N 3.16Å |
| 167 | R | 98.2 | Very high | 98.3 | Very high | 171 Ų | 171 | 102.8 Ų | 102.8 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 175.3 | -71.1 | 175.1 | -165 | -168.6 | 8.7 | 112.3 | E163 E164 V165 L169 V170 I171 | E163-R167 VanDerWaalsContact O-CG 3.29Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.43Å; E163-R167 IonicContact OE2-NH2 3.24Å; E164-R167 PolarHBondContact O-N 3.33Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.44Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-V170 PolarHBondContact O-N 3.29Å; R167-I171 WeakPolarHBondContact O-CG1 3.45Å; R167-I171 PolarHBondContact O-N 2.89Å |
| 168 | K | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 105.4 Ų | 105.4 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.7 | -73.6 | 176.8 | -175.4 | 169.1 | 0 | 111.9 | E164 V165 I171 L172 | E164-K168 WeakPolarHBondContact O-CG 3.46Å; E164-K168 PolarHBondContact O-N 3.22Å; E164-K168 WeakPolarHBondContact OE1-CE 3.44Å; E164-K168 IonicContact OE1-NZ 2.66Å; E164-K168 PolarHBondContact OE1-NZ 3.35Å; V165-K168 PolarHBondContact O-N 3.19Å; K168-I171 PolarHBondContact O-N 3.03Å; K168-L172 PolarHBondContact O-N 3.5Å |
| 169 | L | 98.2 | Very high | 98.3 | Very high | 92 Ų | 92 | 106.7 Ų | 106.7 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 178.7 | -173.6 | 64.3 | 0 | 0 | 0 | 111.2 | V165 A166 R167 I171 L172 E173 | V165-L169 WeakPolarHBondContact O-CB 3.21Å; V165-L169 PolarHBondContact O-N 3.5Å; A166-L169 PolarHBondContact O-N 2.99Å; R167-L169 VanDerWaalsContact C-N 3.33Å; L169-I171 VanDerWaalsContact C-N 3.27Å; L169-I171 PolarHBondContact O-N 2.65Å; L169-L172 PolarHBondContact O-N 2.85Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L169-E173 HydrophobicContact CG-CG 4.41Å; L169-E173 WeakPolarHBondContact O-CG 3.49Å; L169-E173 PolarHBondContact O-N 3.13Å |
| 170 | V | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 107.6 Ų | 107.6 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.8 | -38.5 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | A166 R167 G174 | A166-V170 WeakPolarHBondContact O-CG2 3.43Å; A166-V170 PolarHBondContact O-N 3.16Å; R167-V170 PolarHBondContact O-N 3.29Å; V170-G174 PolarHBondContact O-N 3.28Å; V170-G174 VanDerWaalsContact O-N 3.16Å |
| 171 | I | 98.4 | Very high | 98.3 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 177.1 | -64.6 | 168.5 | 0 | 0 | 0 | 110.4 | R167 K168 L169 E173 G174 E175 | R167-I171 WeakPolarHBondContact O-CG1 3.45Å; R167-I171 PolarHBondContact O-N 2.89Å; K168-I171 PolarHBondContact O-N 3.03Å; L169-I171 VanDerWaalsContact C-N 3.27Å; L169-I171 PolarHBondContact O-N 2.65Å; I171-E173 VanDerWaalsContact C-N 3.35Å; I171-E173 PolarHBondContact O-N 3.02Å; I171-G174 PolarHBondContact O-N 3.26Å; I171-E175 WeakPolarHBondContact O-CG 3.33Å; I171-E175 PolarHBondContact O-N 2.97Å |
| 172 | L | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 179.4 | -75.4 | 170.6 | 0 | 0 | 0 | 112.2 | K168 L169 E175 L176 | K168-L172 PolarHBondContact O-N 3.5Å; L169-L172 PolarHBondContact O-N 2.85Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L172-E175 PolarHBondContact O-N 3.4Å; L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 PolarHBondContact O-N 2.85Å |
| 173 | E | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 175.1 | -73.8 | 172.2 | 161.1 | 0 | 0 | 111 | L169 I171 E175 L176 E177 | L169-E173 HydrophobicContact CG-CG 4.41Å; L169-E173 WeakPolarHBondContact O-CG 3.49Å; L169-E173 PolarHBondContact O-N 3.13Å; I171-E173 VanDerWaalsContact C-N 3.35Å; I171-E173 PolarHBondContact O-N 3.02Å; E173-E175 VanDerWaalsContact C-N 3.33Å; E173-E175 PolarHBondContact O-N 3.3Å; E173-L176 PolarHBondContact O-N 3.05Å; E173-E177 PolarHBondContact O-N 3.43Å |
| 174 | G | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 103.5 Ų | 103.5 | 17% | 0.165 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -69.2 | -26.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V170 I171 R178 | V170-G174 PolarHBondContact O-N 3.28Å; V170-G174 VanDerWaalsContact O-N 3.16Å; I171-G174 PolarHBondContact O-N 3.26Å; G174-R178 WeakPolarHBondContact O-CG 3.33Å; G174-R178 PolarHBondContact O-N 3.22Å; G174-R178 PolarHBondContact O-NE 3.47Å; G174-R178 PolarHBondContact O-NH1 3.33Å |
| 175 | E | 98.4 | Very high | 98.3 | Very high | 100 Ų | 100 | 103.6 Ų | 103.6 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.4 | -39.1 | 171.4 | -75 | 178 | 176.8 | 0 | 0 | 112.3 | I171 L172 E173 S179 | I171-E175 WeakPolarHBondContact O-CG 3.33Å; I171-E175 PolarHBondContact O-N 2.97Å; L172-E175 PolarHBondContact O-N 3.4Å; E173-E175 VanDerWaalsContact C-N 3.33Å; E173-E175 PolarHBondContact O-N 3.3Å; E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 3.3Å |
| 176 | L | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 101.9 Ų | 101.9 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 175.8 | 179.1 | 62.4 | 0 | 0 | 0 | 110.8 | L172 E173 R178 S179 E180 | L172-L176 WeakPolarHBondContact O-CB 3.47Å; L172-L176 PolarHBondContact O-N 2.85Å; E173-L176 PolarHBondContact O-N 3.05Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 2.98Å; L176-S179 WeakPolarHBondContact O-CA 3.42Å; L176-S179 VanDerWaalsContact O-CB 3.28Å; L176-S179 WeakPolarHBondContact O-CB 3.42Å; L176-S179 PolarHBondContact O-N 3.09Å; L176-E180 HydrophobicContact CD1-CG 4.3Å; L176-E180 HydrophobicContact CG-CG 4.49Å; L176-E180 WeakPolarHBondContact O-CG 3.24Å; L176-E180 PolarHBondContact O-N 3.39Å |
| 177 | E | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 106 Ų | 106 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.9 | -47.4 | 178.3 | -175.7 | 177.6 | -154.7 | 0 | 0 | 111.3 | E173 S179 E180 E181 | E173-E177 PolarHBondContact O-N 3.43Å; E177-S179 VanDerWaalsContact C-N 3.27Å; E177-S179 PolarHBondContact O-N 3.28Å; E177-E180 PolarHBondContact O-N 3.28Å; E177-E181 WeakPolarHBondContact O-CG 3.28Å; E177-E181 PolarHBondContact O-N 3Å |
| 178 | R | 98.1 | Very high | 98.3 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 50% | 0.502 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -31.3 | 176.2 | -70.2 | -177.6 | -132.3 | 111.7 | 3.4 | 113.4 | G174 L176 R182 | G174-R178 WeakPolarHBondContact O-CG 3.33Å; G174-R178 PolarHBondContact O-N 3.22Å; G174-R178 PolarHBondContact O-NE 3.47Å; G174-R178 PolarHBondContact O-NH1 3.33Å; L176-R178 VanDerWaalsContact C-N 3.33Å; L176-R178 PolarHBondContact O-N 2.98Å; R178-R182 WeakPolarHBondContact O-CD 3.46Å; R178-R182 VanDerWaalsContact O-CG 3.24Å; R178-R182 WeakPolarHBondContact O-CG 3.44Å; R178-R182 PolarHBondContact O-N 3.31Å |
| 179 | S | 98.5 | Very high | 98.3 | Very high | 73 Ų | 73 | 102.4 Ų | 102.4 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.2 | -40.8 | 176.8 | -168 | 0 | 0 | 0 | 0 | 110.6 | E175 L176 E177 R182 A183 | E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 3.3Å; L176-S179 WeakPolarHBondContact O-CA 3.42Å; L176-S179 VanDerWaalsContact O-CB 3.28Å; L176-S179 WeakPolarHBondContact O-CB 3.42Å; L176-S179 PolarHBondContact O-N 3.09Å; E177-S179 VanDerWaalsContact C-N 3.27Å; E177-S179 PolarHBondContact O-N 3.28Å; S179-R182 PolarHBondContact O-N 2.95Å; S179-A183 PolarHBondContact O-N 2.91Å |
| 180 | E | 98.5 | Very high | 98.3 | Very high | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 176.3 | -69.8 | 176.4 | 160.8 | 0 | 0 | 111.5 | L176 E177 R182 A183 E184 | L176-E180 HydrophobicContact CD1-CG 4.3Å; L176-E180 HydrophobicContact CG-CG 4.49Å; L176-E180 WeakPolarHBondContact O-CG 3.24Å; L176-E180 PolarHBondContact O-N 3.39Å; E177-E180 PolarHBondContact O-N 3.28Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 2.93Å; E180-A183 WeakPolarHBondContact O-CB 3.47Å; E180-A183 PolarHBondContact O-N 3.2Å; E180-A183 VanDerWaalsContact O-N 3.09Å; E180-E184 PolarHBondContact O-N 2.89Å |
| 181 | E | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.6 | -40.6 | 174.4 | -72.2 | 177.9 | 164.9 | 0 | 0 | 112.1 | E177 E184 V185 | E177-E181 WeakPolarHBondContact O-CG 3.28Å; E177-E181 PolarHBondContact O-N 3Å; E181-E184 PolarHBondContact O-N 2.84Å; E181-V185 WeakPolarHBondContact O-CG2 3.4Å; E181-V185 PolarHBondContact O-N 3.02Å; E181-V185 VanDerWaalsContact O-N 3.09Å |
| 182 | R | 98.2 | Very high | 98.2 | Very high | 189 Ų | 189 | 98 Ų | 98 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.1 | -39.2 | 177 | -75.1 | 172.2 | -179.8 | -174.2 | 1.5 | 112.3 | R178 S179 E180 A186 | R178-R182 WeakPolarHBondContact O-CD 3.46Å; R178-R182 VanDerWaalsContact O-CG 3.24Å; R178-R182 WeakPolarHBondContact O-CG 3.44Å; R178-R182 PolarHBondContact O-N 3.31Å; S179-R182 PolarHBondContact O-N 2.95Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 2.93Å; R182-A186 WeakPolarHBondContact O-CB 3.4Å; R182-A186 PolarHBondContact O-N 2.94Å |
| 183 | A | 98.2 | Very high | 98.2 | Very high | 49 Ų | 49 | 97.4 Ų | 97.4 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S179 E180 V185 A186 E187 | S179-A183 PolarHBondContact O-N 2.91Å; E180-A183 WeakPolarHBondContact O-CB 3.47Å; E180-A183 PolarHBondContact O-N 3.2Å; E180-A183 VanDerWaalsContact O-N 3.09Å; A183-V185 PolarHBondContact O-N 3.36Å; A183-A186 PolarHBondContact O-N 3.45Å; A183-A186 VanDerWaalsContact O-N 3.13Å; A183-E187 WeakPolarHBondContact O-CG 3.34Å; A183-E187 PolarHBondContact O-N 3.49Å |
| 184 | E | 98.3 | Very high | 98.2 | Very high | 141 Ų | 141 | 99 Ų | 99 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -44.3 | 177.8 | -170.5 | 176.8 | -171.3 | 0 | 0 | 112 | E180 E181 A186 E187 S188 | E180-E184 PolarHBondContact O-N 2.89Å; E181-E184 PolarHBondContact O-N 2.84Å; E184-A186 VanDerWaalsContact C-N 3.34Å; E184-A186 PolarHBondContact O-N 3.13Å; E184-E187 PolarHBondContact O-N 3.43Å; E184-S188 PolarHBondContact O-N 3.09Å |
| 185 | V | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 63% | 0.63 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | E181 A183 K189 | E181-V185 WeakPolarHBondContact O-CG2 3.4Å; E181-V185 PolarHBondContact O-N 3.02Å; E181-V185 VanDerWaalsContact O-N 3.09Å; A183-V185 PolarHBondContact O-N 3.36Å; V185-K189 WeakPolarHBondContact O-CB 3.47Å; V185-K189 PolarHBondContact O-N 3.09Å; V185-K189 VanDerWaalsContact O-N 3.09Å |
| 186 | A | 97.7 | Very high | 98.2 | Very high | 55 Ų | 55 | 105.1 Ų | 105.1 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R182 A183 E184 K189 C190 | R182-A186 WeakPolarHBondContact O-CB 3.4Å; R182-A186 PolarHBondContact O-N 2.94Å; A183-A186 PolarHBondContact O-N 3.45Å; A183-A186 VanDerWaalsContact O-N 3.13Å; E184-A186 VanDerWaalsContact C-N 3.34Å; E184-A186 PolarHBondContact O-N 3.13Å; A186-K189 PolarHBondContact O-N 3.35Å; A186-C190 PolarHBondContact O-N 3.47Å; A186-C190 PolarHBondContact O-SG 3.01Å; A186-C190 VanDerWaalsContact O-SG 3.35Å |
| 187 | E | 98.3 | Very high | 98.1 | Very high | 141 Ų | 141 | 105.9 Ų | 105.9 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 176.5 | -75.1 | -178.3 | 176.3 | 0 | 0 | 111.8 | A183 E184 K189 C190 G191 | A183-E187 WeakPolarHBondContact O-CG 3.34Å; A183-E187 PolarHBondContact O-N 3.49Å; E184-E187 PolarHBondContact O-N 3.43Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 3.18Å; E187-C190 WeakPolarHBondContact O-CB 3.49Å; E187-C190 PolarHBondContact O-N 3.46Å; E187-G191 PolarHBondContact O-N 2.94Å |
| 188 | S | 98.1 | Very high | 98.1 | Very high | 73 Ų | 73 | 107 Ų | 107 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | E184 C190 G191 D192 | E184-S188 PolarHBondContact O-N 3.09Å; S188-C190 VanDerWaalsContact C-N 3.35Å; S188-C190 PolarHBondContact O-N 3.22Å; S188-G191 PolarHBondContact O-N 3.39Å; S188-D192 PolarHBondContact O-N 3.33Å |
| 189 | K | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 104.9 Ų | 104.9 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -36.5 | 179.3 | -173.9 | 174.6 | -178.2 | 178.1 | 0 | 112.6 | V185 A186 E187 G191 D192 L193 | V185-K189 WeakPolarHBondContact O-CB 3.47Å; V185-K189 PolarHBondContact O-N 3.09Å; V185-K189 VanDerWaalsContact O-N 3.09Å; A186-K189 PolarHBondContact O-N 3.35Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 3.18Å; K189-G191 VanDerWaalsContact C-N 3.34Å; K189-D192 PolarHBondContact O-N 3.48Å; K189-L193 HydrophobicContact CG-CD1 4.38Å; K189-L193 WeakPolarHBondContact O-CG 3.4Å; K189-L193 PolarHBondContact O-N 3.3Å; K189-L193 VanDerWaalsContact O-N 3.07Å |
| 190 | C | 98 | Very high | 98.1 | Very high | 72 Ų | 72 | 105.7 Ų | 105.7 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 172.4 | -75.3 | 0 | 0 | 0 | 0 | 110.9 | A186 E187 S188 D192 L193 E194 | A186-C190 PolarHBondContact O-N 3.47Å; A186-C190 PolarHBondContact O-SG 3.01Å; A186-C190 VanDerWaalsContact O-SG 3.35Å; E187-C190 WeakPolarHBondContact O-CB 3.49Å; E187-C190 PolarHBondContact O-N 3.46Å; S188-C190 VanDerWaalsContact C-N 3.35Å; S188-C190 PolarHBondContact O-N 3.22Å; C190-D192 PolarHBondContact O-N 3.09Å; C190-L193 PolarHBondContact O-N 2.92Å; C190-E194 WeakPolarHBondContact O-CG 3.36Å; C190-E194 PolarHBondContact O-N 3.07Å |
| 191 | G | 97.7 | Very high | 98.1 | Very high | 34 Ų | 34 | 102.8 Ų | 102.8 | 35% | 0.351 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | E187 S188 K189 L193 E194 E195 | E187-G191 PolarHBondContact O-N 2.94Å; S188-G191 PolarHBondContact O-N 3.39Å; K189-G191 VanDerWaalsContact C-N 3.34Å; G191-L193 PolarHBondContact O-N 2.91Å; G191-E194 PolarHBondContact O-N 3.3Å; G191-E195 PolarHBondContact O-N 3.48Å; G191-E195 VanDerWaalsContact O-N 3.09Å |
| 192 | D | 98.1 | Very high | 98.1 | Very high | 92 Ų | 92 | 101.9 Ų | 101.9 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 176.9 | -64.7 | -23.5 | 0 | 0 | 0 | 111.6 | S188 K189 C190 E194 E195 E196 | S188-D192 PolarHBondContact O-N 3.33Å; K189-D192 PolarHBondContact O-N 3.48Å; C190-D192 PolarHBondContact O-N 3.09Å; D192-E194 VanDerWaalsContact C-N 3.35Å; D192-E194 PolarHBondContact O-N 2.99Å; D192-E195 PolarHBondContact O-N 3.25Å; D192-E196 PolarHBondContact O-N 2.91Å |
| 193 | L | 98 | Very high | 98.1 | Very high | 92 Ų | 92 | 97.3 Ų | 97.3 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 179.5 | -72.8 | 174.4 | 0 | 0 | 0 | 112.7 | K189 C190 G191 L197 | K189-L193 HydrophobicContact CG-CD1 4.38Å; K189-L193 WeakPolarHBondContact O-CG 3.4Å; K189-L193 PolarHBondContact O-N 3.3Å; K189-L193 VanDerWaalsContact O-N 3.07Å; C190-L193 PolarHBondContact O-N 2.92Å; G191-L193 PolarHBondContact O-N 2.91Å; L193-L197 VanDerWaalsContact O-CB 3.3Å; L193-L197 WeakPolarHBondContact O-CB 3.33Å; L193-L197 PolarHBondContact O-N 2.97Å |
| 194 | E | 98.1 | Very high | 98.1 | Very high | 139 Ų | 139 | 99.4 Ų | 99.4 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -39.3 | 173.9 | -76.5 | -179.4 | 177 | 0 | 0 | 111.7 | C190 G191 D192 L197 K198 | C190-E194 WeakPolarHBondContact O-CG 3.36Å; C190-E194 PolarHBondContact O-N 3.07Å; G191-E194 PolarHBondContact O-N 3.3Å; D192-E194 VanDerWaalsContact C-N 3.35Å; D192-E194 PolarHBondContact O-N 2.99Å; E194-L197 PolarHBondContact O-N 3.18Å; E194-K198 WeakPolarHBondContact O-CB 3.39Å; E194-K198 PolarHBondContact O-N 3.44Å |
| 195 | E | 97.9 | Very high | 98 | Very high | 128 Ų | 128 | 98.7 Ų | 98.7 | 60% | 0.598 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -45.3 | 175 | -173.4 | 166.8 | -163.4 | 0 | 0 | 111.7 | G191 D192 L197 K198 I199 | G191-E195 PolarHBondContact O-N 3.48Å; G191-E195 VanDerWaalsContact O-N 3.09Å; D192-E195 PolarHBondContact O-N 3.25Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.04Å; E195-K198 WeakPolarHBondContact O-CB 3.26Å; E195-K198 PolarHBondContact O-N 3.49Å; E195-I199 HydrophobicContact CG-CD1 4.31Å; E195-I199 WeakPolarHBondContact O-CG1 3.3Å; E195-I199 PolarHBondContact O-N 3.46Å |
| 196 | E | 97.7 | Very high | 98 | Very high | 117 Ų | 117 | 96.6 Ų | 96.6 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 173.9 | -74.1 | -173.7 | 170.6 | 0 | 0 | 111.8 | D192 K198 I199 V200 | D192-E196 PolarHBondContact O-N 2.91Å; E196-K198 VanDerWaalsContact C-N 3.27Å; E196-K198 PolarHBondContact O-N 3.34Å; E196-I199 PolarHBondContact O-N 2.93Å; E196-I199 VanDerWaalsContact O-N 3.13Å; E196-V200 WeakPolarHBondContact O-CG2 3.49Å; E196-V200 PolarHBondContact O-N 3.35Å |
| 197 | L | 98 | Very high | 97.9 | Very high | 115 Ų | 115 | 99 Ų | 99 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -39.9 | 177.9 | -177.9 | 64.4 | 0 | 0 | 0 | 111.4 | L193 E194 E195 V200 T201 | L193-L197 VanDerWaalsContact O-CB 3.3Å; L193-L197 WeakPolarHBondContact O-CB 3.33Å; L193-L197 PolarHBondContact O-N 2.97Å; E194-L197 PolarHBondContact O-N 3.18Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.04Å; L197-V200 PolarHBondContact O-N 2.71Å; L197-T201 VanDerWaalsContact O-CB 3.26Å; L197-T201 WeakPolarHBondContact O-CB 3.41Å; L197-T201 PolarHBondContact O-N 3.03Å; L197-T201 PolarHBondContact O-OG1 3.48Å |
| 198 | K | 98.1 | Very high | 97.8 | Very high | 141 Ų | 141 | 97.1 Ų | 97.1 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -41.7 | 175.7 | -171.9 | -179.3 | -180 | -177.3 | 0 | 111.7 | E194 E195 E196 T201 N202 | E194-K198 WeakPolarHBondContact O-CB 3.39Å; E194-K198 PolarHBondContact O-N 3.44Å; E195-K198 WeakPolarHBondContact O-CB 3.26Å; E195-K198 PolarHBondContact O-N 3.49Å; E196-K198 VanDerWaalsContact C-N 3.27Å; E196-K198 PolarHBondContact O-N 3.34Å; K198-T201 PolarHBondContact O-N 2.86Å; K198-N202 VanDerWaalsContact O-CG 3.3Å; K198-N202 PolarHBondContact O-N 3.49Å; K198-N202 PolarHBondContact O-ND2 2.86Å |
| 199 | I | 98.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 176 | -66.8 | 166.7 | 0 | 0 | 0 | 110.5 | E195 E196 T201 N202 N203 | E195-I199 HydrophobicContact CG-CD1 4.31Å; E195-I199 WeakPolarHBondContact O-CG1 3.3Å; E195-I199 PolarHBondContact O-N 3.46Å; E196-I199 PolarHBondContact O-N 2.93Å; E196-I199 VanDerWaalsContact O-N 3.13Å; I199-T201 VanDerWaalsContact C-N 3.3Å; I199-T201 PolarHBondContact O-N 3.17Å; I199-N202 PolarHBondContact O-N 3.39Å; I199-N203 PolarHBondContact O-N 3.13Å |
| 200 | V | 98.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 93.7 Ų | 93.7 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 178.3 | 172 | 0 | 0 | 0 | 0 | 110.9 | E196 L197 N202 N203 L204 | E196-V200 WeakPolarHBondContact O-CG2 3.49Å; E196-V200 PolarHBondContact O-N 3.35Å; L197-V200 PolarHBondContact O-N 2.71Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-N202 PolarHBondContact O-N 3.06Å; V200-N203 PolarHBondContact O-N 3.26Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 PolarHBondContact O-N 3.44Å |
| 201 | T | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 93 Ų | 93 | 35% | 0.35 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | L197 K198 I199 L204 K205 | L197-T201 VanDerWaalsContact O-CB 3.26Å; L197-T201 WeakPolarHBondContact O-CB 3.41Å; L197-T201 PolarHBondContact O-N 3.03Å; L197-T201 PolarHBondContact O-OG1 3.48Å; K198-T201 PolarHBondContact O-N 2.86Å; I199-T201 VanDerWaalsContact C-N 3.3Å; I199-T201 PolarHBondContact O-N 3.17Å; T201-L204 PolarHBondContact O-N 3.11Å; T201-K205 WeakPolarHBondContact O-CG 3.41Å; T201-K205 PolarHBondContact O-N 2.87Å; T201-K205 VanDerWaalsContact O-N 3.11Å |
| 202 | N | 98.1 | Very high | 97.5 | Very high | 89 Ų | 89 | 96.6 Ų | 96.6 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.8 | -72.8 | -23.8 | 0 | 0 | 0 | 112.1 | K198 I199 V200 K205 S206 | K198-N202 VanDerWaalsContact O-CG 3.3Å; K198-N202 PolarHBondContact O-N 3.49Å; K198-N202 PolarHBondContact O-ND2 2.86Å; I199-N202 PolarHBondContact O-N 3.39Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-N202 PolarHBondContact O-N 3.06Å; N202-K205 PolarHBondContact O-N 3.45Å; N202-S206 PolarHBondContact O-N 3.5Å |
| 203 | N | 98.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 98.8 Ų | 98.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 176 | -72.2 | -17.4 | 0 | 0 | 0 | 111.7 | I199 V200 S206 L207 | I199-N203 PolarHBondContact O-N 3.13Å; V200-N203 PolarHBondContact O-N 3.26Å; N203-S206 PolarHBondContact O-N 3.09Å; N203-L207 WeakPolarHBondContact O-CG 3.38Å; N203-L207 PolarHBondContact O-N 3.11Å |
| 204 | L | 97.8 | Very high | 97.2 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.8 | 179.8 | 62.3 | 0 | 0 | 0 | 110.9 | V200 T201 S206 L207 E208 | V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 PolarHBondContact O-N 3.44Å; T201-L204 PolarHBondContact O-N 3.11Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.05Å; L204-L207 PolarHBondContact O-N 2.85Å; L204-E208 HydrophobicContact CD1-CG 4.3Å; L204-E208 HydrophobicContact CG-CG 4.44Å; L204-E208 WeakPolarHBondContact O-CG 3.44Å; L204-E208 PolarHBondContact O-N 3.27Å |
| 205 | K | 97.3 | Very high | 97.2 | Very high | 126 Ų | 126 | 97.5 Ų | 97.5 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.8 | -39.8 | 176.3 | -72.9 | 176.5 | -178.7 | 177.8 | 0 | 112.7 | T201 N202 A209 | T201-K205 WeakPolarHBondContact O-CG 3.41Å; T201-K205 PolarHBondContact O-N 2.87Å; T201-K205 VanDerWaalsContact O-N 3.11Å; N202-K205 PolarHBondContact O-N 3.45Å; K205-A209 WeakPolarHBondContact O-CB 3.39Å; K205-A209 PolarHBondContact O-N 3.23Å; K205-A209 VanDerWaalsContact O-N 3.09Å |
| 206 | S | 97.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 94.9 Ų | 94.9 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | N202 N203 L204 Q210 | N202-S206 PolarHBondContact O-N 3.5Å; N203-S206 PolarHBondContact O-N 3.09Å; L204-S206 VanDerWaalsContact C-N 3.26Å; L204-S206 PolarHBondContact O-N 3.05Å; S206-Q210 WeakPolarHBondContact O-CG 3.35Å; S206-Q210 PolarHBondContact O-N 2.91Å; S206-Q210 VanDerWaalsContact O-N 3.11Å |
| 207 | L | 97 | Very high | 97 | Very high | 105 Ų | 105 | 94 Ų | 94 | 55% | 0.55 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -40.9 | 178.1 | -75.1 | 170.3 | 0 | 0 | 0 | 111.8 | N203 L204 A209 Q210 A211 | N203-L207 WeakPolarHBondContact O-CG 3.38Å; N203-L207 PolarHBondContact O-N 3.11Å; L204-L207 PolarHBondContact O-N 2.85Å; L207-A209 PolarHBondContact O-N 2.83Å; L207-Q210 WeakPolarHBondContact O-CB 3.47Å; L207-Q210 PolarHBondContact O-N 3.12Å; L207-Q210 VanDerWaalsContact O-N 3.12Å; L207-A211 PolarHBondContact O-N 3.5Å |
| 208 | E | 96.5 | Very high | 96.9 | Very high | 102 Ų | 102 | 94.2 Ų | 94.2 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 173.3 | -72.1 | 172.8 | 161 | 0 | 0 | 110.8 | L204 Q210 A211 D212 | L204-E208 HydrophobicContact CD1-CG 4.3Å; L204-E208 HydrophobicContact CG-CG 4.44Å; L204-E208 WeakPolarHBondContact O-CG 3.44Å; L204-E208 PolarHBondContact O-N 3.27Å; E208-Q210 PolarHBondContact O-N 3.22Å; E208-A211 WeakPolarHBondContact O-CB 3.45Å; E208-A211 PolarHBondContact O-N 3Å; E208-A211 VanDerWaalsContact O-N 3.08Å; E208-D212 PolarHBondContact O-N 3.08Å |
| 209 | A | 96.4 | Very high | 96.8 | Very high | 47 Ų | 47 | 91.4 Ų | 91.4 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -27.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K205 L207 K213 | K205-A209 WeakPolarHBondContact O-CB 3.39Å; K205-A209 PolarHBondContact O-N 3.23Å; K205-A209 VanDerWaalsContact O-N 3.09Å; L207-A209 PolarHBondContact O-N 2.83Å; A209-K213 WeakPolarHBondContact O-CG 3.34Å |
| 210 | Q | 96.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 93.5 Ų | 93.5 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -76.5 | -41.2 | 172.1 | -74.2 | 177.7 | 13.7 | 0 | 0 | 111.6 | S206 L207 E208 D212 K213 Y214 | S206-Q210 WeakPolarHBondContact O-CG 3.35Å; S206-Q210 PolarHBondContact O-N 2.91Å; S206-Q210 VanDerWaalsContact O-N 3.11Å; L207-Q210 WeakPolarHBondContact O-CB 3.47Å; L207-Q210 PolarHBondContact O-N 3.12Å; L207-Q210 VanDerWaalsContact O-N 3.12Å; E208-Q210 PolarHBondContact O-N 3.22Å; Q210-D212 VanDerWaalsContact C-N 3.33Å; Q210-D212 PolarHBondContact O-N 3.49Å; Q210-K213 WeakPolarHBondContact O-CB 3.1Å; Q210-K213 PolarHBondContact O-N 2.96Å; Q210-K213 VanDerWaalsContact O-N 3.15Å; Q210-Y214 HydrophobicContact CB-CD2 4.48Å; Q210-Y214 HydrophobicContact CB-CE2 4.37Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.38Å; Q210-Y214 PolarHBondContact O-N 3.04Å |
| 211 | A | 96 | Very high | 96.5 | Very high | 57 Ų | 57 | 95.7 Ų | 95.7 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L207 E208 K213 Y214 S215 | L207-A211 PolarHBondContact O-N 3.5Å; E208-A211 WeakPolarHBondContact O-CB 3.45Å; E208-A211 PolarHBondContact O-N 3Å; E208-A211 VanDerWaalsContact O-N 3.08Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-K213 PolarHBondContact O-N 3.36Å; A211-Y214 PolarHBondContact O-N 3.46Å; A211-Y214 VanDerWaalsContact O-N 3.11Å; A211-S215 WeakPolarHBondContact O-CB 3.45Å; A211-S215 PolarHBondContact O-N 3.39Å |
| 212 | D | 95.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.2 | -39.9 | 175.2 | -70.3 | -20.8 | 0 | 0 | 0 | 112.3 | E208 Q210 Y214 T216 | E208-D212 PolarHBondContact O-N 3.08Å; Q210-D212 VanDerWaalsContact C-N 3.33Å; Q210-D212 PolarHBondContact O-N 3.49Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-Y214 PolarHBondContact O-N 2.85Å; D212-T216 WeakPolarHBondContact O-CG2 3.43Å; D212-T216 PolarHBondContact O-N 3.11Å; D212-T216 PolarHBondContact O-OG1 3.09Å |
| 213 | K | 96 | Very high | 96.3 | Very high | 138 Ų | 138 | 99.9 Ų | 99.9 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.4 | -32.6 | 176 | -74.6 | 175.3 | -175 | 176.9 | 0 | 112.9 | A209 Q210 A211 T216 K217 | A209-K213 WeakPolarHBondContact O-CG 3.34Å; Q210-K213 WeakPolarHBondContact O-CB 3.1Å; Q210-K213 PolarHBondContact O-N 2.96Å; Q210-K213 VanDerWaalsContact O-N 3.15Å; A211-K213 VanDerWaalsContact C-N 3.31Å; A211-K213 PolarHBondContact O-N 3.36Å; K213-T216 WeakPolarHBondContact CA-OG1 3.46Å; K213-T216 PolarHBondContact O-OG1 2.85Å; K213-T216 VanDerWaalsContact O-OG1 3.08Å; K213-K217 VanDerWaalsContact O-CG 3.31Å; K213-K217 WeakPolarHBondContact O-CG 3.31Å; K213-K217 PolarHBondContact O-N 3.15Å |
| 214 | Y | 95.7 | Very high | 96.2 | Very high | 147 Ų | 147 | 100.9 Ų | 100.9 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -78.8 | -40.2 | 177.3 | -75.6 | -62.9 | 0 | 0 | 0 | 111.6 | Q210 A211 D212 T216 K217 E218 | Q210-Y214 HydrophobicContact CB-CD2 4.48Å; Q210-Y214 HydrophobicContact CB-CE2 4.37Å; Q210-Y214 WeakPolarHBondContact O-CD2 3.38Å; Q210-Y214 PolarHBondContact O-N 3.04Å; A211-Y214 PolarHBondContact O-N 3.46Å; A211-Y214 VanDerWaalsContact O-N 3.11Å; D212-Y214 VanDerWaalsContact C-N 3.34Å; D212-Y214 PolarHBondContact O-N 2.85Å; Y214-T216 PolarHBondContact O-N 3.08Å; Y214-K217 HydrophobicContact CD1-CD 4.39Å; Y214-K217 WeakPolarHBondContact O-CB 3.37Å; Y214-K217 PolarHBondContact O-N 3.2Å; Y214-K217 VanDerWaalsContact O-N 3.08Å; Y214-E218 WeakPolarHBondContact O-CB 3.49Å; Y214-E218 PolarHBondContact O-N 3.47Å |
| 215 | S | 96.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 100.8 Ų | 100.8 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.6 | -48 | 172.9 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | A211 K217 E218 D219 | A211-S215 WeakPolarHBondContact O-CB 3.45Å; A211-S215 PolarHBondContact O-N 3.39Å; S215-K217 PolarHBondContact O-N 3.08Å; S215-E218 WeakPolarHBondContact O-CB 3.17Å; S215-E218 PolarHBondContact O-N 2.97Å; S215-E218 VanDerWaalsContact O-N 3.09Å; S215-D219 PolarHBondContact O-N 2.94Å |
| 216 | T | 95.7 | Very high | 96.1 | Very high | 73 Ų | 73 | 100.5 Ų | 100.5 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -22.9 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | D212 K213 Y214 K220 | D212-T216 WeakPolarHBondContact O-CG2 3.43Å; D212-T216 PolarHBondContact O-N 3.11Å; D212-T216 PolarHBondContact O-OG1 3.09Å; K213-T216 WeakPolarHBondContact CA-OG1 3.46Å; K213-T216 PolarHBondContact O-OG1 2.85Å; K213-T216 VanDerWaalsContact O-OG1 3.08Å; Y214-T216 PolarHBondContact O-N 3.08Å; T216-K220 WeakPolarHBondContact O-CG 3.49Å |
| 217 | K | 96.1 | Very high | 96.1 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79.4 | -39.7 | 171.6 | -77.5 | 175.9 | 179.4 | -177.6 | 0 | 111.4 | K213 Y214 S215 K220 Y221 | K213-K217 VanDerWaalsContact O-CG 3.31Å; K213-K217 WeakPolarHBondContact O-CG 3.31Å; K213-K217 PolarHBondContact O-N 3.15Å; Y214-K217 HydrophobicContact CD1-CD 4.39Å; Y214-K217 WeakPolarHBondContact O-CB 3.37Å; Y214-K217 PolarHBondContact O-N 3.2Å; Y214-K217 VanDerWaalsContact O-N 3.08Å; S215-K217 PolarHBondContact O-N 3.08Å; K217-K220 WeakPolarHBondContact O-CB 3.41Å; K217-K220 PolarHBondContact O-N 2.92Å; K217-Y221 HydrophobicContact CB-CD2 4.49Å; K217-Y221 HydrophobicContact CB-CE2 4.18Å; K217-Y221 WeakPolarHBondContact O-CD2 3.49Å; K217-Y221 PolarHBondContact O-N 2.98Å |
| 218 | E | 95.8 | Very high | 96 | Very high | 118 Ų | 118 | 102.1 Ų | 102.1 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.9 | -49.5 | 175.6 | -172.5 | 172.4 | -163.9 | 0 | 0 | 110.4 | Y214 S215 K220 Y221 E222 | Y214-E218 WeakPolarHBondContact O-CB 3.49Å; Y214-E218 PolarHBondContact O-N 3.47Å; S215-E218 WeakPolarHBondContact O-CB 3.17Å; S215-E218 PolarHBondContact O-N 2.97Å; S215-E218 VanDerWaalsContact O-N 3.09Å; E218-K220 VanDerWaalsContact C-N 3.28Å; E218-K220 PolarHBondContact O-N 3.38Å; E218-Y221 PolarHBondContact O-N 3.36Å; E218-E222 WeakPolarHBondContact O-CG 3.48Å; E218-E222 PolarHBondContact O-N 2.84Å |
| 219 | D | 96 | Very high | 96 | Very high | 82 Ų | 82 | 103 Ų | 103 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -54.7 | -43.3 | 175.5 | -65.3 | -23.6 | 0 | 0 | 0 | 112.2 | S215 E222 E223 | S215-D219 PolarHBondContact O-N 2.94Å; D219-E222 PolarHBondContact O-N 2.92Å; D219-E223 WeakPolarHBondContact O-CG 3.35Å; D219-E223 PolarHBondContact O-N 3.06Å |
| 220 | K | 96 | Very high | 96 | Very high | 131 Ų | 131 | 107 Ų | 107 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -42.7 | 177.3 | -73.5 | 175.8 | -177.6 | -177.8 | 0 | 112.3 | T216 K217 E218 E222 E223 E224 | T216-K220 WeakPolarHBondContact O-CG 3.49Å; K217-K220 WeakPolarHBondContact O-CB 3.41Å; K217-K220 PolarHBondContact O-N 2.92Å; E218-K220 VanDerWaalsContact C-N 3.28Å; E218-K220 PolarHBondContact O-N 3.38Å; K220-E222 VanDerWaalsContact C-N 3.32Å; K220-E223 PolarHBondContact O-N 3.25Å; K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 WeakPolarHBondContact O-CG 3.49Å; K220-E224 PolarHBondContact O-N 3.25Å |
| 221 | Y | 95 | Very high | 96 | Very high | 137 Ų | 137 | 108.7 Ų | 108.7 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 177 | -68.2 | -42.6 | 0 | 0 | 0 | 111.2 | K217 E218 E224 I225 | K217-Y221 HydrophobicContact CB-CD2 4.49Å; K217-Y221 HydrophobicContact CB-CE2 4.18Å; K217-Y221 WeakPolarHBondContact O-CD2 3.49Å; K217-Y221 PolarHBondContact O-N 2.98Å; E218-Y221 PolarHBondContact O-N 3.36Å; Y221-E224 PolarHBondContact O-N 3.36Å; Y221-I225 WeakPolarHBondContact O-CB 3.42Å; Y221-I225 WeakPolarHBondContact O-CD1 3.36Å; Y221-I225 WeakPolarHBondContact O-CG1 3.4Å; Y221-I225 PolarHBondContact O-N 2.87Å |
| 222 | E | 96.3 | Very high | 96 | Very high | 96 Ų | 96 | 110.9 Ų | 110.9 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.1 | -72.7 | -168.9 | 174.6 | 0 | 0 | 112.6 | E218 D219 K220 I225 K226 | E218-E222 WeakPolarHBondContact O-CG 3.48Å; E218-E222 PolarHBondContact O-N 2.84Å; D219-E222 PolarHBondContact O-N 2.92Å; K220-E222 VanDerWaalsContact C-N 3.32Å; E222-I225 PolarHBondContact O-N 2.99Å; E222-K226 WeakPolarHBondContact O-CG 3.26Å; E222-K226 PolarHBondContact O-N 2.9Å |
| 223 | E | 96 | Very high | 96 | Very high | 138 Ų | 138 | 112.3 Ų | 112.3 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 174.5 | -75.1 | -177.5 | 173.3 | 0 | 0 | 112 | D219 K220 I225 K226 L227 | D219-E223 WeakPolarHBondContact O-CG 3.35Å; D219-E223 PolarHBondContact O-N 3.06Å; K220-E223 PolarHBondContact O-N 3.25Å; E223-I225 VanDerWaalsContact C-N 3.35Å; E223-I225 PolarHBondContact O-N 3.36Å; E223-K226 PolarHBondContact O-N 3.42Å; E223-L227 WeakPolarHBondContact O-CB 3.4Å; E223-L227 PolarHBondContact O-N 3Å |
| 224 | E | 96.4 | Very high | 95.9 | Very high | 113 Ų | 113 | 112.3 Ų | 112.3 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.1 | -78.2 | -179.3 | -178.5 | 0 | 0 | 111.7 | K220 Y221 L227 L228 | K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 WeakPolarHBondContact O-CG 3.49Å; K220-E224 PolarHBondContact O-N 3.25Å; Y221-E224 PolarHBondContact O-N 3.36Å; E224-L227 PolarHBondContact O-N 3.49Å; E224-L228 WeakPolarHBondContact O-CB 3.4Å; E224-L228 VanDerWaalsContact O-CG 3.26Å; E224-L228 WeakPolarHBondContact O-CG 3.15Å; E224-L228 PolarHBondContact O-N 3.45Å |
| 225 | I | 96.4 | Very high | 95.9 | Very high | 91 Ų | 91 | 108 Ų | 108 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 176.5 | -72.7 | 165.3 | 0 | 0 | 0 | 110.2 | Y221 E222 E223 L227 L228 E229 | Y221-I225 WeakPolarHBondContact O-CB 3.42Å; Y221-I225 WeakPolarHBondContact O-CD1 3.36Å; Y221-I225 WeakPolarHBondContact O-CG1 3.4Å; Y221-I225 PolarHBondContact O-N 2.87Å; E222-I225 PolarHBondContact O-N 2.99Å; E223-I225 VanDerWaalsContact C-N 3.35Å; E223-I225 PolarHBondContact O-N 3.36Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.33Å; I225-L228 PolarHBondContact O-N 3.31Å; I225-L228 VanDerWaalsContact O-N 3.16Å; I225-E229 HydrophobicContact CG2-CG 4.31Å; I225-E229 WeakPolarHBondContact O-CG 3.36Å; I225-E229 PolarHBondContact O-N 3.16Å |
| 226 | K | 96.1 | Very high | 95.8 | Very high | 121 Ų | 121 | 110.9 Ų | 110.9 | 53% | 0.526 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 177.6 | -75.9 | 173.5 | -174.5 | 162.9 | 0 | 112.2 | E222 E223 L228 E229 E230 | E222-K226 WeakPolarHBondContact O-CG 3.26Å; E222-K226 PolarHBondContact O-N 2.9Å; E223-K226 PolarHBondContact O-N 3.42Å; K226-L228 VanDerWaalsContact C-N 3.35Å; K226-E229 PolarHBondContact O-N 2.93Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.05Å |
| 227 | L | 96.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 111.1 Ų | 111.1 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | -179.6 | -155.6 | 153.3 | 0 | 0 | 0 | 111.5 | E223 E224 I225 K231 | E223-L227 WeakPolarHBondContact O-CB 3.4Å; E223-L227 PolarHBondContact O-N 3Å; E224-L227 PolarHBondContact O-N 3.49Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.33Å; L227-K231 HydrophobicContact CD2-CD 3.88Å; L227-K231 HydrophobicContact CD2-CG 4.37Å; L227-K231 WeakPolarHBondContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CG 3.35Å; L227-K231 PolarHBondContact O-N 2.84Å |
| 228 | L | 96.1 | Very high | 95.6 | Very high | 112 Ų | 112 | 116 Ų | 116 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.8 | -40.2 | 172.5 | -74.2 | 170.9 | 0 | 0 | 0 | 112.1 | E224 I225 K226 K231 L232 | E224-L228 WeakPolarHBondContact O-CB 3.4Å; E224-L228 VanDerWaalsContact O-CG 3.26Å; E224-L228 WeakPolarHBondContact O-CG 3.15Å; E224-L228 PolarHBondContact O-N 3.45Å; I225-L228 PolarHBondContact O-N 3.31Å; I225-L228 VanDerWaalsContact O-N 3.16Å; K226-L228 VanDerWaalsContact C-N 3.35Å; L228-K231 PolarHBondContact O-N 2.84Å; L228-L232 VanDerWaalsContact O-CB 3.31Å; L228-L232 WeakPolarHBondContact O-CB 3.49Å; L228-L232 PolarHBondContact O-N 3.4Å |
| 229 | E | 96.8 | Very high | 95.5 | Very high | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 175 | -73.5 | 177.2 | 162.1 | 0 | 0 | 111.7 | I225 K226 L232 K233 | I225-E229 HydrophobicContact CG2-CG 4.31Å; I225-E229 WeakPolarHBondContact O-CG 3.36Å; I225-E229 PolarHBondContact O-N 3.16Å; K226-E229 PolarHBondContact O-N 2.93Å; E229-L232 PolarHBondContact O-N 2.94Å; E229-K233 WeakPolarHBondContact O-CB 3.45Å; E229-K233 PolarHBondContact O-N 3.38Å |
| 230 | E | 96.3 | Very high | 95.4 | Very high | 131 Ų | 131 | 113.2 Ų | 113.2 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.5 | -47.4 | 174.1 | -76.4 | -177.1 | 170.3 | 0 | 0 | 111.7 | K226 L232 K233 E234 | K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.05Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.44Å; E230-K233 PolarHBondContact O-N 2.91Å; E230-E234 PolarHBondContact O-N 3.16Å |
| 231 | K | 95.8 | Very high | 95.3 | Very high | 122 Ų | 122 | 114 Ų | 114 | 53% | 0.53 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 176.2 | -79.5 | 176.9 | 176.3 | 168.6 | 0 | 112.7 | L227 L228 K233 E234 A235 | L227-K231 HydrophobicContact CD2-CD 3.88Å; L227-K231 HydrophobicContact CD2-CG 4.37Å; L227-K231 WeakPolarHBondContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CG 3.35Å; L227-K231 PolarHBondContact O-N 2.84Å; L228-K231 PolarHBondContact O-N 2.84Å; K231-K233 VanDerWaalsContact C-N 3.33Å; K231-E234 PolarHBondContact O-N 2.82Å; K231-A235 WeakPolarHBondContact O-CB 3.34Å; K231-A235 PolarHBondContact O-N 3.48Å |
| 232 | L | 95.3 | Very high | 95.2 | Very high | 104 Ų | 104 | 109.9 Ų | 109.9 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 176.1 | 179.9 | 64 | 0 | 0 | 0 | 109.8 | L228 E229 E230 E234 A235 E236 | L228-L232 VanDerWaalsContact O-CB 3.31Å; L228-L232 WeakPolarHBondContact O-CB 3.49Å; L228-L232 PolarHBondContact O-N 3.4Å; E229-L232 PolarHBondContact O-N 2.94Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.44Å; L232-E234 PolarHBondContact O-N 3.22Å; L232-A235 WeakPolarHBondContact O-CB 3.5Å; L232-A235 PolarHBondContact O-N 2.97Å; L232-A235 VanDerWaalsContact O-N 3.16Å; L232-E236 HydrophobicContact CD1-CG 4.49Å; L232-E236 WeakPolarHBondContact O-CB 3.37Å; L232-E236 WeakPolarHBondContact O-CG 3.41Å; L232-E236 PolarHBondContact O-N 3.44Å |
| 233 | K | 95.7 | Very high | 94.9 | Very high | 141 Ų | 141 | 111.8 Ų | 111.8 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 178.4 | -168.6 | 175.5 | -177.1 | 177.4 | 0 | 113.1 | E229 E230 K231 A235 E236 T237 | E229-K233 WeakPolarHBondContact O-CB 3.45Å; E229-K233 PolarHBondContact O-N 3.38Å; E230-K233 PolarHBondContact O-N 2.91Å; K231-K233 VanDerWaalsContact C-N 3.33Å; K233-A235 VanDerWaalsContact C-N 3.35Å; K233-E236 PolarHBondContact O-N 2.86Å; K233-T237 WeakPolarHBondContact O-CB 3.37Å; K233-T237 WeakPolarHBondContact O-CG2 3.28Å; K233-T237 PolarHBondContact O-N 3.37Å; K233-T237 PolarHBondContact O-OG1 2.85Å |
| 234 | E | 94.9 | Very high | 94.6 | Very high | 138 Ų | 138 | 113 Ų | 113 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 172 | -75.5 | -173.6 | 168.9 | 0 | 0 | 111.8 | E230 K231 L232 T237 R238 | E230-E234 PolarHBondContact O-N 3.16Å; K231-E234 PolarHBondContact O-N 2.82Å; L232-E234 PolarHBondContact O-N 3.22Å; E234-T237 WeakPolarHBondContact CA-OG1 3.48Å; E234-T237 PolarHBondContact O-OG1 3.01Å; E234-R238 VanDerWaalsContact O-CB 3.28Å; E234-R238 WeakPolarHBondContact O-CB 3.39Å; E234-R238 PolarHBondContact O-N 2.97Å |
| 235 | A | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 109.5 Ų | 109.5 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K231 L232 K233 R238 A239 | K231-A235 WeakPolarHBondContact O-CB 3.34Å; K231-A235 PolarHBondContact O-N 3.48Å; L232-A235 WeakPolarHBondContact O-CB 3.5Å; L232-A235 PolarHBondContact O-N 2.97Å; L232-A235 VanDerWaalsContact O-N 3.16Å; K233-A235 VanDerWaalsContact C-N 3.35Å; A235-R238 PolarHBondContact O-N 2.86Å; A235-A239 WeakPolarHBondContact O-CB 3.41Å; A235-A239 PolarHBondContact O-N 2.95Å |
| 236 | E | 94.6 | Very high | 94.2 | Very high | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.1 | -75.1 | 177.6 | 157.4 | 0 | 0 | 111.8 | L232 K233 R238 A239 E240 | L232-E236 HydrophobicContact CD1-CG 4.49Å; L232-E236 WeakPolarHBondContact O-CB 3.37Å; L232-E236 WeakPolarHBondContact O-CG 3.41Å; L232-E236 PolarHBondContact O-N 3.44Å; K233-E236 PolarHBondContact O-N 2.86Å; E236-R238 VanDerWaalsContact C-N 3.3Å; E236-R238 PolarHBondContact O-N 2.99Å; E236-A239 PolarHBondContact O-N 3.38Å; E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 PolarHBondContact O-N 3.48Å |
| 237 | T | 93.7 | Very high | 93.9 | Very high | 78 Ų | 78 | 105.4 Ų | 105.4 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 177.3 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | K233 E234 F241 | K233-T237 WeakPolarHBondContact O-CB 3.37Å; K233-T237 WeakPolarHBondContact O-CG2 3.28Å; K233-T237 PolarHBondContact O-N 3.37Å; K233-T237 PolarHBondContact O-OG1 2.85Å; E234-T237 WeakPolarHBondContact CA-OG1 3.48Å; E234-T237 PolarHBondContact O-OG1 3.01Å; T237-F241 WeakPolarHBondContact O-CB 3.45Å; T237-F241 PolarHBondContact O-N 3.35Å |
| 238 | R | 94.2 | Very high | 93.7 | Very high | 202 Ų | 202 | 109 Ų | 109 | 76% | 0.762 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 174.1 | -168.4 | 178.8 | -165.4 | 166.3 | 4.7 | 112 | E234 A235 E236 F241 A242 | E234-R238 VanDerWaalsContact O-CB 3.28Å; E234-R238 WeakPolarHBondContact O-CB 3.39Å; E234-R238 PolarHBondContact O-N 2.97Å; A235-R238 PolarHBondContact O-N 2.86Å; E236-R238 VanDerWaalsContact C-N 3.3Å; E236-R238 PolarHBondContact O-N 2.99Å; R238-F241 PolarHBondContact O-N 3.45Å; R238-A242 WeakPolarHBondContact O-CB 3.43Å; R238-A242 PolarHBondContact O-N 3.19Å |
| 239 | A | 93.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 108.9 Ų | 108.9 | 41% | 0.405 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A235 E236 F241 A242 E243 | A235-A239 WeakPolarHBondContact O-CB 3.41Å; A235-A239 PolarHBondContact O-N 2.95Å; E236-A239 PolarHBondContact O-N 3.38Å; A239-F241 VanDerWaalsContact C-N 3.31Å; A239-F241 PolarHBondContact O-N 2.85Å; A239-A242 WeakPolarHBondContact O-CB 3.47Å; A239-A242 PolarHBondContact O-N 3.49Å; A239-A242 VanDerWaalsContact O-N 3.09Å; A239-E243 WeakPolarHBondContact O-CG 3.36Å; A239-E243 PolarHBondContact O-N 3.01Å |
| 240 | E | 92.7 | Very high | 93.2 | Very high | 92 Ų | 92 | 108.6 Ų | 108.6 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 177.8 | -159.4 | -166.7 | 160.7 | 0 | 0 | 111.9 | E236 E243 R244 | E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 PolarHBondContact O-N 3.48Å; E240-E243 PolarHBondContact O-N 2.74Å; E240-R244 WeakPolarHBondContact O-CG 3.46Å; E240-R244 PolarHBondContact O-N 3.3Å; E240-R244 IonicContact OE1-CZ 3.49Å; E240-R244 IonicContact OE1-NE 3.52Å; E240-R244 IonicContact OE1-NH2 2.74Å; E240-R244 PolarHBondContact OE1-NH2 3.09Å |
| 241 | F | 93.6 | Very high | 92.9 | Very high | 148 Ų | 148 | 108.9 Ų | 108.9 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.3 | -40.8 | 174.4 | -174.7 | -90.6 | 0 | 0 | 0 | 112.3 | T237 R238 A239 S245 | T237-F241 WeakPolarHBondContact O-CB 3.45Å; T237-F241 PolarHBondContact O-N 3.35Å; R238-F241 PolarHBondContact O-N 3.45Å; A239-F241 VanDerWaalsContact C-N 3.31Å; A239-F241 PolarHBondContact O-N 2.85Å; F241-S245 WeakPolarHBondContact O-CB 3.44Å; F241-S245 PolarHBondContact O-N 3.1Å; F241-S245 PolarHBondContact O-OG 2.91Å |
| 242 | A | 92.7 | Very high | 92.7 | Very high | 50 Ų | 50 | 106.4 Ų | 106.4 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R238 A239 R244 S245 V246 | R238-A242 WeakPolarHBondContact O-CB 3.43Å; R238-A242 PolarHBondContact O-N 3.19Å; A239-A242 WeakPolarHBondContact O-CB 3.47Å; A239-A242 PolarHBondContact O-N 3.49Å; A239-A242 VanDerWaalsContact O-N 3.09Å; A242-R244 PolarHBondContact O-N 2.85Å; A242-S245 WeakPolarHBondContact O-CB 3.42Å; A242-S245 PolarHBondContact O-N 3Å; A242-S245 VanDerWaalsContact O-N 3.1Å; A242-V246 WeakPolarHBondContact O-CG2 3.4Å; A242-V246 PolarHBondContact O-N 2.83Å |
| 243 | E | 91 | Very high | 92.4 | Very high | 136 Ų | 136 | 105.6 Ų | 105.6 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.5 | -45 | 176.5 | -74.2 | 179.6 | 174.6 | 0 | 0 | 112.1 | A239 E240 S245 V246 A247 | A239-E243 WeakPolarHBondContact O-CG 3.36Å; A239-E243 PolarHBondContact O-N 3.01Å; E240-E243 PolarHBondContact O-N 2.74Å; E243-S245 VanDerWaalsContact C-N 3.28Å; E243-S245 PolarHBondContact O-N 3.46Å; E243-V246 PolarHBondContact O-N 3.01Å; E243-A247 PolarHBondContact O-N 2.77Å |
| 244 | R | 89.3 | Confident | 92 | Very high | 163 Ų | 163 | 103.5 Ų | 103.5 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -36.1 | 174.2 | -73.2 | -179.8 | -172.9 | -160.2 | 6.2 | 112.8 | E240 A242 K248 | E240-R244 WeakPolarHBondContact O-CG 3.46Å; E240-R244 PolarHBondContact O-N 3.3Å; E240-R244 IonicContact OE1-CZ 3.49Å; E240-R244 IonicContact OE1-NE 3.52Å; E240-R244 IonicContact OE1-NH2 2.74Å; E240-R244 PolarHBondContact OE1-NH2 3.09Å; A242-R244 PolarHBondContact O-N 2.85Å; R244-K248 PolarHBondContact O-N 3.38Å; R244-K248 VanDerWaalsContact O-N 3.13Å |
| 245 | S | 92.5 | Very high | 91.7 | Very high | 41 Ų | 41 | 101.3 Ų | 101.3 | 29% | 0.287 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70 | -40.9 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | F241 A242 E243 K248 L249 | F241-S245 WeakPolarHBondContact O-CB 3.44Å; F241-S245 PolarHBondContact O-N 3.1Å; F241-S245 PolarHBondContact O-OG 2.91Å; A242-S245 WeakPolarHBondContact O-CB 3.42Å; A242-S245 PolarHBondContact O-N 3Å; A242-S245 VanDerWaalsContact O-N 3.1Å; E243-S245 VanDerWaalsContact C-N 3.28Å; E243-S245 PolarHBondContact O-N 3.46Å; S245-K248 PolarHBondContact O-N 2.99Å; S245-L249 WeakPolarHBondContact O-CG 3.41Å; S245-L249 PolarHBondContact O-N 3.13Å |
| 246 | V | 92.4 | Very high | 91.4 | Very high | 73 Ų | 73 | 103 Ų | 103 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -50.4 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 110 | A242 E243 K248 L249 E250 | A242-V246 WeakPolarHBondContact O-CG2 3.4Å; A242-V246 PolarHBondContact O-N 2.83Å; E243-V246 PolarHBondContact O-N 3.01Å; V246-K248 VanDerWaalsContact C-N 3.27Å; V246-K248 PolarHBondContact O-N 3.01Å; V246-L249 PolarHBondContact O-N 3.14Å; V246-E250 HydrophobicContact CG1-CG 4.19Å; V246-E250 WeakPolarHBondContact O-CG 3.35Å; V246-E250 PolarHBondContact O-N 3Å |
| 247 | A | 90.2 | Very high | 91 | Very high | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E243 K251 | E243-A247 PolarHBondContact O-N 2.77Å; A247-K251 PolarHBondContact O-N 3.08Å; A247-K251 VanDerWaalsContact O-N 3.14Å |
| 248 | K | 92.3 | Very high | 90.6 | Very high | 162 Ų | 162 | 105 Ų | 105 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.5 | -42.4 | 173.1 | -87.6 | -175.1 | 177.2 | -179.5 | 0 | 112.8 | R244 S245 V246 K251 T252 | R244-K248 PolarHBondContact O-N 3.38Å; R244-K248 VanDerWaalsContact O-N 3.13Å; S245-K248 PolarHBondContact O-N 2.99Å; V246-K248 VanDerWaalsContact C-N 3.27Å; V246-K248 PolarHBondContact O-N 3.01Å; K248-K251 PolarHBondContact O-N 3.21Å; K248-T252 PolarHBondContact O-N 3.34Å; K248-T252 PolarHBondContact O-OG1 3.45Å |
| 249 | L | 91.1 | Very high | 90.2 | Very high | 111 Ų | 111 | 101.1 Ų | 101.1 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -43.6 | 178.5 | -74 | 170.3 | 0 | 0 | 0 | 110.8 | S245 V246 K251 T252 I253 | S245-L249 WeakPolarHBondContact O-CG 3.41Å; S245-L249 PolarHBondContact O-N 3.13Å; V246-L249 PolarHBondContact O-N 3.14Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.12Å; L249-T252 WeakPolarHBondContact O-CB 3.36Å; L249-T252 PolarHBondContact O-N 2.87Å; L249-T252 VanDerWaalsContact O-N 3.08Å; L249-I253 WeakPolarHBondContact O-CG1 3.49Å; L249-I253 PolarHBondContact O-N 2.95Å |
| 250 | E | 90 | Very high | 89.8 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.7 | -47.9 | 173.7 | -72.9 | 175.7 | 155.3 | 0 | 0 | 111 | V246 T252 I253 D254 | V246-E250 HydrophobicContact CG1-CG 4.19Å; V246-E250 WeakPolarHBondContact O-CG 3.35Å; V246-E250 PolarHBondContact O-N 3Å; E250-T252 VanDerWaalsContact C-N 3.29Å; E250-T252 PolarHBondContact O-N 2.8Å; E250-I253 WeakPolarHBondContact O-CB 3.37Å; E250-I253 PolarHBondContact O-N 3.42Å; E250-I253 VanDerWaalsContact O-N 3.12Å; E250-D254 PolarHBondContact O-N 3.3Å |
| 251 | K | 90.9 | Very high | 89.4 | Confident | 137 Ų | 137 | 105.2 Ų | 105.2 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 175.1 | -171.1 | -177.5 | 178 | -173.6 | 0 | 113.2 | A247 K248 L249 I253 D254 D255 | A247-K251 PolarHBondContact O-N 3.08Å; A247-K251 VanDerWaalsContact O-N 3.14Å; K248-K251 PolarHBondContact O-N 3.21Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.12Å; K251-I253 VanDerWaalsContact C-N 3.32Å; K251-D254 PolarHBondContact O-N 3.02Å; K251-D255 VanDerWaalsContact O-CG 3.32Å; K251-D255 PolarHBondContact O-N 3.44Å |
| 252 | T | 90.3 | Very high | 88.9 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.6 | -33.5 | 179.2 | -47.5 | 0 | 0 | 0 | 0 | 111.3 | K248 L249 E250 L256 | K248-T252 PolarHBondContact O-N 3.34Å; K248-T252 PolarHBondContact O-OG1 3.45Å; L249-T252 WeakPolarHBondContact O-CB 3.36Å; L249-T252 PolarHBondContact O-N 2.87Å; L249-T252 VanDerWaalsContact O-N 3.08Å; E250-T252 VanDerWaalsContact C-N 3.29Å; E250-T252 PolarHBondContact O-N 2.8Å; T252-L256 HydrophobicContact CG2-CD1 4.23Å; T252-L256 WeakPolarHBondContact O-CB 3.44Å; T252-L256 VanDerWaalsContact O-CG 3.29Å; T252-L256 WeakPolarHBondContact O-CG 3.29Å; T252-L256 PolarHBondContact O-N 3.06Å |
| 253 | I | 90.1 | Very high | 88.3 | Confident | 88 Ų | 88 | 103.5 Ų | 103.5 | 45% | 0.451 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 173.2 | -70.3 | 167.2 | 0 | 0 | 0 | 109.3 | L249 E250 K251 D255 L256 E257 | L249-I253 WeakPolarHBondContact O-CG1 3.49Å; L249-I253 PolarHBondContact O-N 2.95Å; E250-I253 WeakPolarHBondContact O-CB 3.37Å; E250-I253 PolarHBondContact O-N 3.42Å; E250-I253 VanDerWaalsContact O-N 3.12Å; K251-I253 VanDerWaalsContact C-N 3.32Å; I253-D255 VanDerWaalsContact C-N 3.35Å; I253-D255 PolarHBondContact O-N 3.15Å; I253-L256 PolarHBondContact O-N 3.41Å; I253-L256 VanDerWaalsContact O-N 3.15Å; I253-E257 HydrophobicContact CG2-CG 4.17Å; I253-E257 WeakPolarHBondContact O-CB 3.38Å; I253-E257 WeakPolarHBondContact O-CG 3.3Å; I253-E257 PolarHBondContact O-N 2.79Å |
| 254 | D | 88.1 | Confident | 87.9 | Confident | 96 Ų | 96 | 104 Ų | 104 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 176.2 | -70.9 | -15.9 | 0 | 0 | 0 | 111.3 | E250 K251 L256 E257 D258 | E250-D254 PolarHBondContact O-N 3.3Å; K251-D254 PolarHBondContact O-N 3.02Å; D254-L256 VanDerWaalsContact C-N 3.31Å; D254-L256 PolarHBondContact O-N 2.91Å; D254-E257 PolarHBondContact O-N 2.87Å; D254-D258 PolarHBondContact O-N 3.11Å |
| 255 | D | 88.7 | Confident | 87.5 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 178 | -70.7 | -26.9 | 0 | 0 | 0 | 112 | K251 I253 E259 | K251-D255 VanDerWaalsContact O-CG 3.32Å; K251-D255 PolarHBondContact O-N 3.44Å; I253-D255 VanDerWaalsContact C-N 3.35Å; I253-D255 PolarHBondContact O-N 3.15Å; D255-E259 PolarHBondContact O-N 2.98Å; D255-E259 VanDerWaalsContact O-N 3.11Å |
| 256 | L | 87.2 | Confident | 86.9 | Confident | 92 Ų | 92 | 105 Ų | 105 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73 | -37 | 177.3 | -78.6 | 167.8 | 0 | 0 | 0 | 112.6 | T252 I253 D254 D258 E259 V260 | T252-L256 HydrophobicContact CG2-CD1 4.23Å; T252-L256 WeakPolarHBondContact O-CB 3.44Å; T252-L256 VanDerWaalsContact O-CG 3.29Å; T252-L256 WeakPolarHBondContact O-CG 3.29Å; T252-L256 PolarHBondContact O-N 3.06Å; I253-L256 PolarHBondContact O-N 3.41Å; I253-L256 VanDerWaalsContact O-N 3.15Å; D254-L256 VanDerWaalsContact C-N 3.31Å; D254-L256 PolarHBondContact O-N 2.91Å; L256-D258 VanDerWaalsContact C-N 3.33Å; L256-E259 PolarHBondContact O-N 3.41Å; L256-V260 WeakPolarHBondContact O-CB 3.07Å; L256-V260 VanDerWaalsContact O-CG2 3.3Å; L256-V260 WeakPolarHBondContact O-CG2 3.5Å; L256-V260 PolarHBondContact O-N 3.24Å |
| 257 | E | 85.8 | Confident | 86.3 | Confident | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -41.7 | 175.6 | -76.3 | -171.8 | 166.5 | 0 | 0 | 110.8 | I253 D254 V260 Y261 | I253-E257 HydrophobicContact CG2-CG 4.17Å; I253-E257 WeakPolarHBondContact O-CB 3.38Å; I253-E257 WeakPolarHBondContact O-CG 3.3Å; I253-E257 PolarHBondContact O-N 2.79Å; D254-E257 PolarHBondContact O-N 2.87Å; E257-V260 PolarHBondContact O-N 3.28Å; E257-Y261 WeakPolarHBondContact O-CB 3.46Å; E257-Y261 PolarHBondContact O-N 3.36Å |
| 258 | D | 86.7 | Confident | 85.7 | Confident | 112 Ų | 112 | 113.4 Ų | 113.4 | 60% | 0.599 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.5 | -41.9 | 172.3 | -84 | -14 | 0 | 0 | 0 | 111.9 | D254 L256 Y261 A262 | D254-D258 PolarHBondContact O-N 3.11Å; L256-D258 VanDerWaalsContact C-N 3.33Å; D258-Y261 PolarHBondContact O-N 3.41Å; D258-A262 WeakPolarHBondContact O-CB 3.47Å; D258-A262 PolarHBondContact O-N 3.27Å |
| 259 | E | 85.6 | Confident | 85.1 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | 178.1 | -162.5 | 172.8 | -156.1 | 0 | 0 | 112.2 | D255 L256 Y261 A262 Q263 | D255-E259 PolarHBondContact O-N 2.98Å; D255-E259 VanDerWaalsContact O-N 3.11Å; L256-E259 PolarHBondContact O-N 3.41Å; E259-Y261 VanDerWaalsContact C-N 3.34Å; E259-A262 PolarHBondContact O-N 2.91Å; E259-Q263 WeakPolarHBondContact O-CB 3.43Å; E259-Q263 WeakPolarHBondContact O-CG 3.4Å; E259-Q263 PolarHBondContact O-N 3.45Å |
| 260 | V | 84.6 | Confident | 84.4 | Confident | 82 Ų | 82 | 107.6 Ų | 107.6 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 173.4 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L256 E257 Q263 K264 | L256-V260 WeakPolarHBondContact O-CB 3.07Å; L256-V260 VanDerWaalsContact O-CG2 3.3Å; L256-V260 WeakPolarHBondContact O-CG2 3.5Å; L256-V260 PolarHBondContact O-N 3.24Å; E257-V260 PolarHBondContact O-N 3.28Å; V260-Q263 PolarHBondContact O-N 3.04Å; V260-K264 PolarHBondContact O-N 3.38Å |
| 261 | Y | 84.1 | Confident | 83.6 | Confident | 146 Ų | 146 | 104.3 Ų | 104.3 | 57% | 0.573 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -45 | 175.9 | -174.7 | -97.9 | 0 | 0 | 0 | 111.5 | E257 D258 E259 Q263 K264 M265 | E257-Y261 WeakPolarHBondContact O-CB 3.46Å; E257-Y261 PolarHBondContact O-N 3.36Å; D258-Y261 PolarHBondContact O-N 3.41Å; E259-Y261 VanDerWaalsContact C-N 3.34Å; Y261-Q263 VanDerWaalsContact C-N 3.35Å; Y261-Q263 PolarHBondContact O-N 3.37Å; Y261-K264 PolarHBondContact O-N 2.89Å; Y261-M265 HydrophobicContact CD1-CG 4.49Å; Y261-M265 HydrophobicContact CE1-CE 3.83Å; Y261-M265 HydrophobicContact CE1-CG 4.21Å; Y261-M265 HydrophobicContact CE2-CE 4.06Å; Y261-M265 PolarHBondContact O-N 3.34Å; Y261-M265 WeakPolarHBondContact OH-CE 3.42Å |
| 262 | A | 84 | Confident | 82.8 | Confident | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D258 E259 M265 K266 | D258-A262 WeakPolarHBondContact O-CB 3.47Å; D258-A262 PolarHBondContact O-N 3.27Å; E259-A262 PolarHBondContact O-N 2.91Å; A262-M265 PolarHBondContact O-N 2.9Å; A262-K266 PolarHBondContact O-N 3.43Å; A262-K266 VanDerWaalsContact O-N 3.12Å |
| 263 | Q | 80.5 | Confident | 82.1 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.2 | -76.6 | -68.2 | 1 | 0 | 0 | 112.6 | E259 V260 Y261 M265 K266 Y267 | E259-Q263 WeakPolarHBondContact O-CB 3.43Å; E259-Q263 WeakPolarHBondContact O-CG 3.4Å; E259-Q263 PolarHBondContact O-N 3.45Å; V260-Q263 PolarHBondContact O-N 3.04Å; Y261-Q263 VanDerWaalsContact C-N 3.35Å; Y261-Q263 PolarHBondContact O-N 3.37Å; Q263-M265 VanDerWaalsContact C-N 3.29Å; Q263-M265 PolarHBondContact O-N 3.35Å; Q263-K266 PolarHBondContact O-N 3.43Å; Q263-Y267 PolarHBondContact O-N 2.86Å |
| 264 | K | 81.1 | Confident | 81.1 | Confident | 147 Ų | 147 | 107.2 Ų | 107.2 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -40.6 | 173.4 | -84.5 | -177.9 | 175.5 | 175.3 | 0 | 112 | V260 Y261 Y267 K268 | V260-K264 PolarHBondContact O-N 3.38Å; Y261-K264 PolarHBondContact O-N 2.89Å; K264-Y267 PolarHBondContact O-N 3.32Å; K264-K268 WeakPolarHBondContact O-CB 3.39Å; K264-K268 PolarHBondContact O-N 3.24Å |
| 265 | M | 81.6 | Confident | 80.2 | Confident | 94 Ų | 94 | 107 Ų | 107 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.5 | -73.6 | -64.3 | -175.1 | 0 | 0 | 112.4 | Y261 A262 Q263 K268 A269 | Y261-M265 HydrophobicContact CD1-CG 4.49Å; Y261-M265 HydrophobicContact CE1-CE 3.83Å; Y261-M265 HydrophobicContact CE1-CG 4.21Å; Y261-M265 HydrophobicContact CE2-CE 4.06Å; Y261-M265 PolarHBondContact O-N 3.34Å; Y261-M265 WeakPolarHBondContact OH-CE 3.42Å; A262-M265 PolarHBondContact O-N 2.9Å; Q263-M265 VanDerWaalsContact C-N 3.29Å; Q263-M265 PolarHBondContact O-N 3.35Å; M265-K268 PolarHBondContact O-N 3.12Å; M265-A269 PolarHBondContact O-N 3.39Å; M265-A269 VanDerWaalsContact O-N 3.11Å |
| 266 | K | 80.1 | Confident | 79.3 | Confident | 131 Ų | 131 | 107.4 Ų | 107.4 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 173.4 | -77.6 | -178.5 | 178.5 | 174.9 | 0 | 112.6 | A262 Q263 K268 A269 I270 | A262-K266 PolarHBondContact O-N 3.43Å; A262-K266 VanDerWaalsContact O-N 3.12Å; Q263-K266 PolarHBondContact O-N 3.43Å; K266-K268 VanDerWaalsContact C-N 3.29Å; K266-K268 PolarHBondContact O-N 3.11Å; K266-A269 PolarHBondContact O-N 2.98Å; K266-I270 WeakPolarHBondContact O-CG1 3.38Å; K266-I270 PolarHBondContact O-N 3.02Å |
| 267 | Y | 79.2 | Confident | 78.5 | Confident | 173 Ų | 173 | 105.3 Ų | 105.3 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 178 | -175.6 | -93.9 | 0 | 0 | 0 | 111.5 | Q263 K264 A269 I270 S271 | Q263-Y267 PolarHBondContact O-N 2.86Å; K264-Y267 PolarHBondContact O-N 3.32Å; Y267-A269 PolarHBondContact O-N 3.49Å; Y267-I270 PolarHBondContact O-N 3.42Å; Y267-S271 WeakPolarHBondContact O-CB 3.44Å; Y267-S271 PolarHBondContact O-N 2.9Å |
| 268 | K | 78.9 | Confident | 77.3 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 176.7 | -163.6 | -177.7 | 179.3 | -170.6 | 0 | 112 | K264 M265 K266 S271 E272 | K264-K268 WeakPolarHBondContact O-CB 3.39Å; K264-K268 PolarHBondContact O-N 3.24Å; M265-K268 PolarHBondContact O-N 3.12Å; K266-K268 VanDerWaalsContact C-N 3.29Å; K266-K268 PolarHBondContact O-N 3.11Å; K268-S271 PolarHBondContact O-N 3.33Å; K268-E272 PolarHBondContact O-N 3.01Å |
| 269 | A | 77.8 | Confident | 76.1 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M265 K266 Y267 E272 E273 | M265-A269 PolarHBondContact O-N 3.39Å; M265-A269 VanDerWaalsContact O-N 3.11Å; K266-A269 PolarHBondContact O-N 2.98Å; Y267-A269 PolarHBondContact O-N 3.49Å; A269-E272 PolarHBondContact O-N 3.27Å; A269-E273 PolarHBondContact O-N 3.07Å |
| 270 | I | 77.3 | Confident | 75 | Confident | 103 Ų | 103 | 103.3 Ų | 103.3 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 177 | -66.2 | 167.6 | 0 | 0 | 0 | 111.4 | K266 Y267 E273 L274 | K266-I270 WeakPolarHBondContact O-CG1 3.38Å; K266-I270 PolarHBondContact O-N 3.02Å; Y267-I270 PolarHBondContact O-N 3.42Å; I270-E273 PolarHBondContact O-N 2.96Å; I270-L274 WeakPolarHBondContact O-CB 3.47Å; I270-L274 PolarHBondContact O-N 3.3Å |
| 271 | S | 73.6 | Confident | 73.7 | Confident | 45 Ų | 45 | 105.4 Ų | 105.4 | 32% | 0.315 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.6 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | Y267 K268 L274 D275 | Y267-S271 WeakPolarHBondContact O-CB 3.44Å; Y267-S271 PolarHBondContact O-N 2.9Å; K268-S271 PolarHBondContact O-N 3.33Å; S271-L274 PolarHBondContact O-N 3.33Å; S271-D275 PolarHBondContact O-N 2.93Å |
| 272 | E | 74 | Confident | 72.3 | Confident | 109 Ų | 109 | 103.8 Ų | 103.8 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 174.7 | -79.2 | 173.5 | -178.5 | 0 | 0 | 111.8 | K268 A269 L274 N276 | K268-E272 PolarHBondContact O-N 3.01Å; A269-E272 PolarHBondContact O-N 3.27Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-N276 WeakPolarHBondContact O-CB 3.48Å; E272-N276 VanDerWaalsContact O-CG 3.3Å; E272-N276 PolarHBondContact O-N 3.33Å; E272-N276 PolarHBondContact O-ND2 2.9Å |
| 273 | E | 75.5 | Confident | 70.9 | Confident | 138 Ų | 138 | 105.8 Ų | 105.8 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 172.4 | -75.6 | -179.2 | 172.4 | 0 | 0 | 112.3 | A269 I270 N276 A277 | A269-E273 PolarHBondContact O-N 3.07Å; I270-E273 PolarHBondContact O-N 2.96Å; E273-N276 PolarHBondContact O-N 3.45Å; E273-A277 PolarHBondContact O-N 3.23Å |
| 274 | L | 68.8 | Low | 69.3 | Low | 108 Ų | 108 | 110.8 Ų | 110.8 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.2 | -42.5 | 178.9 | -161 | 79 | 0 | 0 | 0 | 112.1 | I270 S271 E272 N276 A277 L278 | I270-L274 WeakPolarHBondContact O-CB 3.47Å; I270-L274 PolarHBondContact O-N 3.3Å; S271-L274 PolarHBondContact O-N 3.33Å; E272-L274 VanDerWaalsContact C-N 3.34Å; L274-N276 VanDerWaalsContact C-N 3.31Å; L274-N276 PolarHBondContact O-N 3.47Å; L274-A277 PolarHBondContact O-N 3.25Å; L274-L278 WeakPolarHBondContact O-CB 3.49Å; L274-L278 PolarHBondContact O-N 3.02Å |
| 275 | D | 70.3 | Confident | 68.7 | Low | 92 Ų | 92 | 109 Ų | 109 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -38.2 | 175.3 | -84.9 | -20.6 | 0 | 0 | 0 | 111.4 | S271 L278 N279 | S271-D275 PolarHBondContact O-N 2.93Å; D275-L278 PolarHBondContact O-N 3.48Å; D275-N279 WeakPolarHBondContact O-CB 3.47Å; D275-N279 PolarHBondContact O-N 3.06Å; D275-N279 PolarHBondContact O-ND2 3.01Å |
| 276 | N | 69.5 | Low | 68 | Low | 102 Ų | 102 | 109.8 Ų | 109.8 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.3 | -44.8 | 173.2 | -74.9 | -29.1 | 0 | 0 | 0 | 111.6 | E272 E273 L274 L278 N279 D280 | E272-N276 WeakPolarHBondContact O-CB 3.48Å; E272-N276 VanDerWaalsContact O-CG 3.3Å; E272-N276 PolarHBondContact O-N 3.33Å; E272-N276 PolarHBondContact O-ND2 2.9Å; E273-N276 PolarHBondContact O-N 3.45Å; L274-N276 VanDerWaalsContact C-N 3.31Å; L274-N276 PolarHBondContact O-N 3.47Å; N276-L278 PolarHBondContact O-N 3.46Å; N276-N279 PolarHBondContact O-N 3.19Å; N276-D280 PolarHBondContact O-N 3.32Å; N276-D280 VanDerWaalsContact O-N 3.1Å |
| 277 | A | 69.1 | Low | 67.3 | Low | 47 Ų | 47 | 108.6 Ų | 108.6 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.7 | -35.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E273 L274 D280 I281 | E273-A277 PolarHBondContact O-N 3.23Å; L274-A277 PolarHBondContact O-N 3.25Å; A277-D280 PolarHBondContact O-N 3.32Å; A277-I281 WeakPolarHBondContact O-CG1 3.48Å; A277-I281 PolarHBondContact O-N 3.29Å |
| 278 | L | 61.3 | Low | 66.6 | Low | 93 Ų | 93 | 104.8 Ų | 104.8 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.1 | -40.2 | 175.2 | -100.6 | 155.8 | 0 | 0 | 0 | 111.9 | L274 D275 N276 D280 I281 T282 | L274-L278 WeakPolarHBondContact O-CB 3.49Å; L274-L278 PolarHBondContact O-N 3.02Å; D275-L278 PolarHBondContact O-N 3.48Å; N276-L278 PolarHBondContact O-N 3.46Å; L278-D280 VanDerWaalsContact C-N 3.34Å; L278-I281 PolarHBondContact O-N 3.47Å; L278-T282 PolarHBondContact O-N 3.24Å; L278-T282 PolarHBondContact O-OG1 3.28Å |
| 279 | N | 61.4 | Low | 65.9 | Low | 106 Ų | 106 | 103.4 Ų | 103.4 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -38.7 | 175.3 | -78.1 | -32.6 | 0 | 0 | 0 | 112 | D275 N276 I281 T282 S283 | D275-N279 WeakPolarHBondContact O-CB 3.47Å; D275-N279 PolarHBondContact O-N 3.06Å; D275-N279 PolarHBondContact O-ND2 3.01Å; N276-N279 PolarHBondContact O-N 3.19Å; N279-I281 PolarHBondContact O-N 3.45Å; N279-T282 PolarHBondContact O-N 3.45Å; N279-S283 PolarHBondContact O-N 3.46Å |
| 280 | D | 63.4 | Low | 65.1 | Low | 116 Ų | 116 | 107.1 Ų | 107.1 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63 | -39.4 | 176.9 | -76.7 | -13.5 | 0 | 0 | 0 | 112.2 | N276 A277 L278 T282 S283 | N276-D280 PolarHBondContact O-N 3.32Å; N276-D280 VanDerWaalsContact O-N 3.1Å; A277-D280 PolarHBondContact O-N 3.32Å; L278-D280 VanDerWaalsContact C-N 3.34Å; D280-T282 VanDerWaalsContact C-N 3.34Å; D280-T282 PolarHBondContact O-N 3.38Å; D280-S283 PolarHBondContact O-N 3.1Å; D280-S283 PolarHBondContact O-OG 2.81Å |
| 281 | I | 56.4 | Low | 64.2 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 64% | 0.641 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.1 | -32.3 | 178.6 | -67.2 | 169.6 | 0 | 0 | 0 | 112.1 | A277 L278 N279 S283 | A277-I281 WeakPolarHBondContact O-CG1 3.48Å; A277-I281 PolarHBondContact O-N 3.29Å; L278-I281 PolarHBondContact O-N 3.47Å; N279-I281 PolarHBondContact O-N 3.45Å; I281-S283 PolarHBondContact O-N 2.78Å |
| 282 | T | 55.4 | Low | 63.5 | Low | 112 Ų | 112 | 112.2 Ų | 112.2 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -6.3 | -178.9 | -34.7 | 0 | 0 | 0 | 0 | 112.3 | L278 N279 D280 | L278-T282 PolarHBondContact O-N 3.24Å; L278-T282 PolarHBondContact O-OG1 3.28Å; N279-T282 PolarHBondContact O-N 3.45Å; D280-T282 VanDerWaalsContact C-N 3.34Å; D280-T282 PolarHBondContact O-N 3.38Å |
| 283 | S | 54.2 | Low | 62.6 | Low | 94 Ų | 94 | 112.4 Ų | 112.4 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 3.8 | -178.8 | 73.2 | 0 | 0 | 0 | 0 | 115.4 | N279 D280 I281 | N279-S283 PolarHBondContact O-N 3.46Å; D280-S283 PolarHBondContact O-N 3.1Å; D280-S283 PolarHBondContact O-OG 2.81Å; I281-S283 PolarHBondContact O-N 2.78Å |
| 284 | L | 45.7 | Very low | 61.4 | Low | 216 Ų | 216 | 110.1 Ų | 110.1 | 100% | 1.131 | 62% | 0.617 | S | S | * | * | trans | -91.2 | 0 | 170.8 | -91.3 | 159.5 | 0 | 0 | 0 | 112 |
Retrieved 284 of 284 residues in 72.8 ms
(Link to these results)