| 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 | 39.6 | Very low | 47.4 | Very low | 237 Ų | 237 | 132.8 Ų | 132.8 | 100% | 1.167 | 78% | 0.779 | S | S | * | * | 0 | 129.2 | 0 | -76.5 | 165.3 | 161.1 | 0 | 0 | 107.4 | |||||
| 2 | V | 38.3 | Very low | 47.9 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -100.3 | 125.5 | 162.2 | 175.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 3 | V | 41.1 | Very low | 48.4 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -94.6 | 107.3 | 173.7 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | A5 | V3-A5 PolarHBondContact O-N 3.44Š| ||
| 4 | S | 45.1 | Very low | 48.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -69.9 | 111.2 | 172.9 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | G6 | S4-G6 PolarHBondContact O-N 2.79Š| ||
| 5 | A | 48.7 | Very low | 49.5 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | V3 | V3-A5 PolarHBondContact O-N 3.44Š|
| 6 | G | 49.2 | Very low | 50.7 | Low | 60 Ų | 60 | 126.4 Ų | 126.4 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 156.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S4 W8 | S4-G6 PolarHBondContact O-N 2.79Å; G6-W8 PolarHBondContact O-N 2.63Å |
| 7 | P | 48.1 | Very low | 51.9 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135.7 | 172.5 | -16.9 | 30.5 | 0 | 0 | 0 | 110.4 | ||
| 8 | W | 47.6 | Very low | 53.1 | Low | 257 Ų | 257 | 124.8 Ų | 124.8 | 97% | 0.973 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 132.7 | 158.8 | -86.8 | -39.1 | 0 | 0 | 0 | 108.4 | G6 | G6-W8 PolarHBondContact O-N 2.63Š|
| 9 | S | 54.7 | Low | 54.3 | Low | 74 Ų | 74 | 124.8 Ų | 124.8 | 52% | 0.517 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 132.8 | 176.3 | 46.8 | 0 | 0 | 0 | 0 | 110.8 | E11 K12 | S9-E11 VanDerWaalsContact C-N 3.32Å; S9-E11 PolarHBondContact O-N 3.48Å; S9-K12 PolarHBondContact O-N 3.5Å |
| 10 | S | 57.3 | Low | 55.5 | Low | 74 Ų | 74 | 122.3 Ų | 122.3 | 52% | 0.517 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -36.2 | -177.1 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | K12 A13 E14 | S10-K12 PolarHBondContact O-N 3.16Å; S10-A13 CarbonylContact O-C 3.58Å; S10-A13 WeakPolarHBondContact O-CA 3.32Å; S10-A13 WeakPolarHBondContact O-CB 3.24Å; S10-A13 PolarHBondContact O-N 3.1Å; S10-E14 VanDerWaalsContact C-OE1 3.24Å; S10-E14 WeakPolarHBondContact CB-OE1 3.09Å; S10-E14 WeakPolarHBondContact O-CG 3.41Å; S10-E14 PolarHBondContact O-N 3.45Å; S10-E14 PolarHBondContact OG-OE1 2.88Å |
| 11 | E | 51.8 | Low | 56.6 | Low | 147 Ų | 147 | 119.9 Ų | 119.9 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -41.8 | -40.1 | 171.2 | -167.1 | 176.1 | -139.5 | 0 | 0 | 113.9 | S9 M15 | S9-E11 VanDerWaalsContact C-N 3.32Å; S9-E11 PolarHBondContact O-N 3.48Å; E11-M15 PolarHBondContact O-N 3.46Å; E11-M15 VanDerWaalsContact O-N 3.14Å |
| 12 | K | 52.9 | Low | 58.6 | Low | 170 Ų | 170 | 115.7 Ų | 115.7 | 74% | 0.739 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.5 | -19.1 | 178 | -172.1 | 164.4 | -176.1 | 170.5 | 0 | 114 | S9 S10 | S9-K12 PolarHBondContact O-N 3.5Å; S10-K12 PolarHBondContact O-N 3.16Å |
| 13 | A | 55.1 | Low | 60.7 | Low | 57 Ų | 57 | 112.7 Ų | 112.7 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -85.7 | -35.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S10 N16 I17 | S10-A13 CarbonylContact O-C 3.58Å; S10-A13 WeakPolarHBondContact O-CA 3.32Å; S10-A13 WeakPolarHBondContact O-CB 3.24Å; S10-A13 PolarHBondContact O-N 3.1Å; A13-N16 WeakPolarHBondContact O-CB 3.43Å; A13-N16 PolarHBondContact O-N 3.2Å; A13-I17 WeakPolarHBondContact O-CG1 3.4Å; A13-I17 PolarHBondContact O-N 3.18Å |
| 14 | E | 54.5 | Low | 62.6 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -45.9 | 178.4 | -71 | 152.4 | -147.7 | 0 | 0 | 111.8 | S10 N16 I17 L18 | S10-E14 VanDerWaalsContact C-OE1 3.24Å; S10-E14 WeakPolarHBondContact CB-OE1 3.09Å; S10-E14 WeakPolarHBondContact O-CG 3.41Å; S10-E14 PolarHBondContact O-N 3.45Å; S10-E14 PolarHBondContact OG-OE1 2.88Å; E14-N16 PolarHBondContact O-N 2.84Å; E14-I17 WeakPolarHBondContact O-CB 3.34Å; E14-I17 PolarHBondContact O-N 3.17Å; E14-L18 PolarHBondContact O-N 3.35Å |
| 15 | M | 58.1 | Low | 64.4 | Low | 147 Ų | 147 | 114.4 Ų | 114.4 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -56.6 | -35 | 175 | -167.7 | 176.3 | -173 | 0 | 0 | 112.8 | E11 E19 | E11-M15 PolarHBondContact O-N 3.46Å; E11-M15 VanDerWaalsContact O-N 3.14Å; M15-E19 PolarHBondContact O-N 2.83Å |
| 16 | N | 68.7 | Low | 66.2 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 45% | 0.449 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.4 | -33.1 | 177.1 | -169.2 | -1.4 | 0 | 0 | 0 | 112 | A13 E14 I20 | A13-N16 WeakPolarHBondContact O-CB 3.43Å; A13-N16 PolarHBondContact O-N 3.2Å; E14-N16 PolarHBondContact O-N 2.84Å; N16-I20 VanDerWaalsContact O-CB 3.28Å; N16-I20 WeakPolarHBondContact O-CB 3.49Å; N16-I20 WeakPolarHBondContact O-CG1 3.41Å; N16-I20 PolarHBondContact O-N 2.87Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.47Å |
| 17 | I | 71.2 | Confident | 67.9 | Low | 100 Ų | 100 | 115.5 Ų | 115.5 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.5 | -36.3 | 178.5 | -69.3 | 164.8 | 0 | 0 | 0 | 111.5 | A13 E14 N21 | A13-I17 WeakPolarHBondContact O-CG1 3.4Å; A13-I17 PolarHBondContact O-N 3.18Å; E14-I17 WeakPolarHBondContact O-CB 3.34Å; E14-I17 PolarHBondContact O-N 3.17Å; I17-N21 WeakPolarHBondContact O-CB 3.45Å; I17-N21 PolarHBondContact O-N 2.97Å; I17-N21 PolarHBondContact O-ND2 3.11Å |
| 18 | L | 74.8 | Confident | 69.8 | Low | 125 Ų | 125 | 113.7 Ų | 113.7 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.8 | -49.1 | 175.6 | -74 | 168.6 | 0 | 0 | 0 | 111.6 | E14 I20 N21 E22 | E14-L18 PolarHBondContact O-N 3.35Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.25Å; L18-N21 WeakPolarHBondContact O-CA 3.32Å; L18-N21 WeakPolarHBondContact O-CB 3.4Å; L18-N21 PolarHBondContact O-N 3.27Å; L18-E22 PolarHBondContact O-N 3.47Å |
| 19 | E | 75.1 | Confident | 71.7 | Confident | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.5 | -38.5 | 176.9 | -170.3 | 177.5 | -170.7 | 0 | 0 | 112.2 | M15 T23 | M15-E19 PolarHBondContact O-N 2.83Å; E19-T23 WeakPolarHBondContact O-CG2 3.25Å; E19-T23 PolarHBondContact O-N 3.4Å; E19-T23 VanDerWaalsContact O-N 3.07Å; E19-T23 PolarHBondContact O-OG1 2.69Å |
| 20 | I | 77.5 | Confident | 73.4 | Confident | 75 Ų | 75 | 105.2 Ų | 105.2 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 171.1 | -74.9 | 170.8 | 0 | 0 | 0 | 111.5 | N16 L18 T23 L24 | N16-I20 VanDerWaalsContact O-CB 3.28Å; N16-I20 WeakPolarHBondContact O-CB 3.49Å; N16-I20 WeakPolarHBondContact O-CG1 3.41Å; N16-I20 PolarHBondContact O-N 2.87Å; N16-I20 WeakPolarHBondContact OD1-CD1 3.47Å; L18-I20 VanDerWaalsContact C-N 3.3Å; L18-I20 PolarHBondContact O-N 3.25Å; I20-T23 WeakPolarHBondContact CA-OG1 3.42Å; I20-T23 PolarHBondContact O-N 3.03Å; I20-T23 PolarHBondContact O-OG1 2.95Å; I20-L24 HydrophobicContact CG2-CD1 3.52Å; I20-L24 HydrophobicContact CG2-CG 4.08Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.98Å |
| 21 | N | 79 | Confident | 74.8 | Confident | 72 Ų | 72 | 107.1 Ų | 107.1 | 39% | 0.385 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 178.8 | -86.7 | -69.3 | 0 | 0 | 0 | 112.6 | I17 L18 T23 R25 | I17-N21 WeakPolarHBondContact O-CB 3.45Å; I17-N21 PolarHBondContact O-N 2.97Å; I17-N21 PolarHBondContact O-ND2 3.11Å; L18-N21 WeakPolarHBondContact O-CA 3.32Å; L18-N21 WeakPolarHBondContact O-CB 3.4Å; L18-N21 PolarHBondContact O-N 3.27Å; N21-T23 VanDerWaalsContact C-N 3.34Å; N21-R25 WeakPolarHBondContact O-CB 3.38Å; N21-R25 VanDerWaalsContact O-CG 3.31Å; N21-R25 WeakPolarHBondContact O-CG 3.43Å; N21-R25 PolarHBondContact O-N 3.43Å |
| 22 | E | 81.2 | Confident | 76.6 | Confident | 149 Ų | 149 | 105.4 Ų | 105.4 | 70% | 0.696 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 174.1 | -70.1 | -164.5 | 133.7 | 0 | 0 | 112.1 | L18 P26 | L18-E22 PolarHBondContact O-N 3.47Å; E22-P26 WeakPolarHBondContact O-CD 3.39Å; E22-P26 WeakPolarHBondContact O-CG 3.34Å |
| 23 | T | 83.5 | Confident | 78.3 | Confident | 76 Ų | 76 | 101.1 Ų | 101.1 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -79.3 | -29.2 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | E19 I20 N21 Q27 | E19-T23 WeakPolarHBondContact O-CG2 3.25Å; E19-T23 PolarHBondContact O-N 3.4Å; E19-T23 VanDerWaalsContact O-N 3.07Å; E19-T23 PolarHBondContact O-OG1 2.69Å; I20-T23 WeakPolarHBondContact CA-OG1 3.42Å; I20-T23 PolarHBondContact O-N 3.03Å; I20-T23 PolarHBondContact O-OG1 2.95Å; N21-T23 VanDerWaalsContact C-N 3.34Å; T23-Q27 WeakPolarHBondContact O-CG 3.38Å; T23-Q27 PolarHBondContact O-NE2 3.38Å |
| 24 | L | 81.1 | Confident | 79.7 | Confident | 88 Ų | 88 | 102.2 Ų | 102.2 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -80.7 | -32.3 | 177.8 | -74 | 179.3 | 0 | 0 | 0 | 113.9 | I20 Q27 L28 | I20-L24 HydrophobicContact CG2-CD1 3.52Å; I20-L24 HydrophobicContact CG2-CG 4.08Å; I20-L24 WeakPolarHBondContact O-CB 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.24Å; I20-L24 PolarHBondContact O-N 2.98Å; L24-Q27 PolarHBondContact O-N 2.87Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 PolarHBondContact O-N 2.93Å |
| 25 | R | 82.7 | Confident | 81.2 | Confident | 188 Ų | 188 | 104 Ų | 104 | 71% | 0.709 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.2 | -48.4 | -179.4 | -81.4 | 175.4 | 178.9 | -159.4 | 1.5 | 112.8 | N21 L28 A29 | N21-R25 WeakPolarHBondContact O-CB 3.38Å; N21-R25 VanDerWaalsContact O-CG 3.31Å; N21-R25 WeakPolarHBondContact O-CG 3.43Å; N21-R25 PolarHBondContact O-N 3.43Å; R25-L28 PolarHBondContact O-N 3.46Å; R25-A29 PolarHBondContact O-N 3.05Å; R25-A29 VanDerWaalsContact O-N 3.08Å |
| 26 | P | 86.2 | Confident | 82.6 | Confident | 83 Ų | 83 | 102.6 Ų | 102.6 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174.5 | -23.4 | 34.5 | 0 | 0 | 0 | 113 | E22 L28 A29 E30 | E22-P26 WeakPolarHBondContact O-CD 3.39Å; E22-P26 WeakPolarHBondContact O-CG 3.34Å; P26-L28 VanDerWaalsContact C-N 3.32Å; P26-L28 PolarHBondContact O-N 2.91Å; P26-A29 WeakPolarHBondContact O-CB 3.46Å; P26-A29 PolarHBondContact O-N 2.9Å; P26-A29 VanDerWaalsContact O-N 3.14Å; P26-E30 PolarHBondContact O-N 2.85Å |
| 27 | Q | 85.6 | Confident | 83.5 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 177.7 | -70.9 | 179.1 | 71 | 0 | 0 | 111.7 | T23 L24 A29 E30 K31 | T23-Q27 WeakPolarHBondContact O-CG 3.38Å; T23-Q27 PolarHBondContact O-NE2 3.38Å; L24-Q27 PolarHBondContact O-N 2.87Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; Q27-E30 PolarHBondContact O-N 3.3Å; Q27-K31 WeakPolarHBondContact O-CB 3.36Å; Q27-K31 VanDerWaalsContact O-CG 3.23Å; Q27-K31 WeakPolarHBondContact O-CG 3.33Å; Q27-K31 PolarHBondContact O-N 3.2Å |
| 28 | L | 87 | Confident | 84.3 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 174.9 | -178.5 | 60.6 | 0 | 0 | 0 | 111.8 | L24 R25 P26 K32 | L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 PolarHBondContact O-N 2.93Å; R25-L28 PolarHBondContact O-N 3.46Å; P26-L28 VanDerWaalsContact C-N 3.32Å; P26-L28 PolarHBondContact O-N 2.91Å; L28-K32 HydrophobicContact CD1-CD 4.41Å; L28-K32 HydrophobicContact CD1-CG 4.46Å; L28-K32 HydrophobicContact CG-CD 4.2Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.24Å; L28-K32 WeakPolarHBondContact O-CG 3.4Å; L28-K32 PolarHBondContact O-N 2.82Å |
| 29 | A | 87.5 | Confident | 84.9 | Confident | 55 Ų | 55 | 102 Ų | 102 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R25 P26 Q27 K32 Q33 | R25-A29 PolarHBondContact O-N 3.05Å; R25-A29 VanDerWaalsContact O-N 3.08Å; P26-A29 WeakPolarHBondContact O-CB 3.46Å; P26-A29 PolarHBondContact O-N 2.9Å; P26-A29 VanDerWaalsContact O-N 3.14Å; Q27-A29 VanDerWaalsContact C-N 3.35Å; A29-K32 PolarHBondContact O-N 2.85Å; A29-Q33 PolarHBondContact O-N 3.26Å |
| 30 | E | 91.6 | Very high | 85.3 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -49.1 | 175.2 | -166.1 | -149.5 | 174.8 | 0 | 0 | 111.1 | P26 Q27 K32 Q33 Q34 | P26-E30 PolarHBondContact O-N 2.85Å; Q27-E30 PolarHBondContact O-N 3.3Å; E30-K32 PolarHBondContact O-N 3.44Å; E30-Q33 CarbonylContact O-C 3.6Å; E30-Q33 PolarHBondContact O-N 3.33Å; E30-Q33 VanDerWaalsContact O-N 3.08Å; E30-Q34 WeakPolarHBondContact O-CG 3.43Å; E30-Q34 PolarHBondContact O-N 3.21Å; E30-Q34 PolarHBondContact OE1-NE2 3.06Å |
| 31 | K | 86.4 | Confident | 85.7 | Confident | 114 Ų | 114 | 104.5 Ų | 104.5 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 178.6 | -65.4 | -68.3 | 157.9 | -163 | 0 | 112.3 | Q27 Q33 Q34 F35 | Q27-K31 WeakPolarHBondContact O-CB 3.36Å; Q27-K31 VanDerWaalsContact O-CG 3.23Å; Q27-K31 WeakPolarHBondContact O-CG 3.33Å; Q27-K31 PolarHBondContact O-N 3.2Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q33 PolarHBondContact O-N 3.16Å; K31-Q34 PolarHBondContact O-N 3.31Å; K31-F35 WeakPolarHBondContact O-CB 3.47Å; K31-F35 PolarHBondContact O-N 3.46Å |
| 32 | K | 88.5 | Confident | 85.8 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 170.5 | -77.6 | 170 | 178.3 | 176.9 | 0 | 111.7 | L28 A29 E30 R36 | L28-K32 HydrophobicContact CD1-CD 4.41Å; L28-K32 HydrophobicContact CD1-CG 4.46Å; L28-K32 HydrophobicContact CG-CD 4.2Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.24Å; L28-K32 WeakPolarHBondContact O-CG 3.4Å; L28-K32 PolarHBondContact O-N 2.82Å; A29-K32 PolarHBondContact O-N 2.85Å; E30-K32 PolarHBondContact O-N 3.44Å; K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.87Å; K32-R36 VanDerWaalsContact O-N 3.09Å |
| 33 | Q | 89.3 | Confident | 85.8 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.6 | -41.7 | 175 | -169.9 | 61.8 | 35.1 | 0 | 0 | 112.5 | A29 E30 K31 F35 R36 N37 | A29-Q33 PolarHBondContact O-N 3.26Å; E30-Q33 CarbonylContact O-C 3.6Å; E30-Q33 PolarHBondContact O-N 3.33Å; E30-Q33 VanDerWaalsContact O-N 3.08Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q33 PolarHBondContact O-N 3.16Å; Q33-F35 VanDerWaalsContact C-N 3.27Å; Q33-F35 PolarHBondContact O-N 3.35Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.22Å; Q33-N37 PolarHBondContact NE2-OD1 3.48Å; Q33-N37 WeakPolarHBondContact O-CB 3.38Å; Q33-N37 PolarHBondContact O-N 3.39Å; Q33-N37 PolarHBondContact O-OD1 3.45Å |
| 34 | Q | 84.5 | Confident | 85.9 | Confident | 80 Ų | 80 | 104.5 Ų | 104.5 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 174.4 | -72.3 | 178.7 | -0.2 | 0 | 0 | 111.3 | E30 K31 N37 L38 | E30-Q34 WeakPolarHBondContact O-CG 3.43Å; E30-Q34 PolarHBondContact O-N 3.21Å; E30-Q34 PolarHBondContact OE1-NE2 3.06Å; K31-Q34 PolarHBondContact O-N 3.31Å; Q34-N37 PolarHBondContact O-N 3.41Å; Q34-L38 VanDerWaalsContact O-CB 3.29Å; Q34-L38 WeakPolarHBondContact O-CB 3.23Å; Q34-L38 PolarHBondContact O-N 2.92Å |
| 35 | F | 86.3 | Confident | 85.9 | Confident | 139 Ų | 139 | 105.1 Ų | 105.1 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 174.7 | -174.9 | -100.9 | 0 | 0 | 0 | 112.7 | K31 Q33 L38 K39 | K31-F35 WeakPolarHBondContact O-CB 3.47Å; K31-F35 PolarHBondContact O-N 3.46Å; Q33-F35 VanDerWaalsContact C-N 3.27Å; Q33-F35 PolarHBondContact O-N 3.35Å; F35-L38 PolarHBondContact O-N 3Å; F35-K39 WeakPolarHBondContact O-CB 3.29Å; F35-K39 PolarHBondContact O-N 3.31Å |
| 36 | R | 87.6 | Confident | 85.8 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.1 | -53.3 | 172 | -75 | -174.2 | -72.4 | -101.9 | 7 | 111.4 | K32 Q33 L38 K39 E40 | K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 2.87Å; K32-R36 VanDerWaalsContact O-N 3.09Å; Q33-R36 PolarHBondContact O-N 3.35Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.22Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 PolarHBondContact O-N 2.94Å; R36-K39 WeakPolarHBondContact O-CB 3.46Å; R36-K39 PolarHBondContact O-N 3.01Å; R36-K39 VanDerWaalsContact O-N 3.11Å; R36-E40 WeakPolarHBondContact O-CG 3.48Å; R36-E40 PolarHBondContact O-N 3.33Å |
| 37 | N | 87 | Confident | 85.5 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 34% | 0.337 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -37.2 | 178.9 | -65.4 | 0.4 | 0 | 0 | 0 | 112.2 | Q33 Q34 K41 | Q33-N37 PolarHBondContact NE2-OD1 3.48Å; Q33-N37 WeakPolarHBondContact O-CB 3.38Å; Q33-N37 PolarHBondContact O-N 3.39Å; Q33-N37 PolarHBondContact O-OD1 3.45Å; Q34-N37 PolarHBondContact O-N 3.41Å; N37-K41 WeakPolarHBondContact O-CB 3.49Å; N37-K41 VanDerWaalsContact O-CG 3.24Å; N37-K41 WeakPolarHBondContact O-CG 3.3Å; N37-K41 PolarHBondContact O-N 3.15Å |
| 38 | L | 86.9 | Confident | 85.4 | Confident | 118 Ų | 118 | 98.2 Ų | 98.2 | 62% | 0.618 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.7 | -38.2 | 177.7 | -171.7 | 66.2 | 0 | 0 | 0 | 112 | Q34 F35 R36 K41 C42 | Q34-L38 VanDerWaalsContact O-CB 3.29Å; Q34-L38 WeakPolarHBondContact O-CB 3.23Å; Q34-L38 PolarHBondContact O-N 2.92Å; F35-L38 PolarHBondContact O-N 3Å; R36-L38 VanDerWaalsContact C-N 3.26Å; R36-L38 PolarHBondContact O-N 2.94Å; L38-K41 PolarHBondContact O-N 3.39Å; L38-C42 VanDerWaalsContact O-CB 3.28Å; L38-C42 WeakPolarHBondContact O-CB 3.47Å; L38-C42 PolarHBondContact O-N 3.15Å |
| 39 | K | 87.6 | Confident | 85.1 | Confident | 117 Ų | 117 | 95.3 Ų | 95.3 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.6 | -178 | 171.9 | 177.1 | 176.6 | 0 | 111 | F35 R36 C42 F43 | F35-K39 WeakPolarHBondContact O-CB 3.29Å; F35-K39 PolarHBondContact O-N 3.31Å; R36-K39 WeakPolarHBondContact O-CB 3.46Å; R36-K39 PolarHBondContact O-N 3.01Å; R36-K39 VanDerWaalsContact O-N 3.11Å; K39-C42 WeakPolarHBondContact O-CB 3.28Å; K39-C42 PolarHBondContact O-N 3.28Å; K39-F43 HydrophobicContact CD-CE2 4.29Å; K39-F43 HydrophobicContact CG-CD2 4.06Å; K39-F43 HydrophobicContact CG-CE2 3.66Å; K39-F43 VanDerWaalsContact O-CD2 3.23Å; K39-F43 WeakPolarHBondContact O-CD2 3.37Å; K39-F43 PolarHBondContact O-N 3.44Å |
| 40 | E | 83.9 | Confident | 84.7 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 173.4 | -71.7 | 167.6 | -167.8 | 0 | 0 | 112 | R36 C42 F43 L44 | R36-E40 WeakPolarHBondContact O-CG 3.48Å; R36-E40 PolarHBondContact O-N 3.33Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 2.7Å; E40-F43 PolarHBondContact O-N 2.8Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.39Å |
| 41 | K | 85.4 | Confident | 83.9 | Confident | 137 Ų | 137 | 93.9 Ų | 93.9 | 60% | 0.596 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.2 | -36.7 | 175.8 | -75.8 | 173.8 | -179.6 | -176.2 | 0 | 112.9 | N37 L38 T45 | N37-K41 WeakPolarHBondContact O-CB 3.49Å; N37-K41 VanDerWaalsContact O-CG 3.24Å; N37-K41 WeakPolarHBondContact O-CG 3.3Å; N37-K41 PolarHBondContact O-N 3.15Å; L38-K41 PolarHBondContact O-N 3.39Å; K41-T45 WeakPolarHBondContact O-CB 3.49Å; K41-T45 PolarHBondContact O-N 3.25Å; K41-T45 PolarHBondContact O-OG1 2.87Å |
| 42 | C | 81.5 | Confident | 83.4 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 175 | -169 | 0 | 0 | 0 | 0 | 111 | L38 K39 E40 L44 T45 Q46 | L38-C42 VanDerWaalsContact O-CB 3.28Å; L38-C42 WeakPolarHBondContact O-CB 3.47Å; L38-C42 PolarHBondContact O-N 3.15Å; K39-C42 WeakPolarHBondContact O-CB 3.28Å; K39-C42 PolarHBondContact O-N 3.28Å; E40-C42 VanDerWaalsContact C-N 3.29Å; E40-C42 PolarHBondContact O-N 2.7Å; C42-L44 PolarHBondContact O-N 3.28Å; C42-T45 PolarHBondContact O-N 3.08Å; C42-Q46 WeakPolarHBondContact O-CG 3.46Å; C42-Q46 PolarHBondContact O-N 2.9Å |
| 43 | F | 82.5 | Confident | 82.6 | Confident | 121 Ų | 121 | 90.1 Ų | 90.1 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.4 | -74.4 | -54.4 | 0 | 0 | 0 | 112.7 | K39 E40 T45 Q46 L47 | K39-F43 HydrophobicContact CD-CE2 4.29Å; K39-F43 HydrophobicContact CG-CD2 4.06Å; K39-F43 HydrophobicContact CG-CE2 3.66Å; K39-F43 VanDerWaalsContact O-CD2 3.23Å; K39-F43 WeakPolarHBondContact O-CD2 3.37Å; K39-F43 PolarHBondContact O-N 3.44Å; E40-F43 PolarHBondContact O-N 2.8Å; F43-T45 VanDerWaalsContact C-N 3.29Å; F43-T45 PolarHBondContact O-N 3.44Å; F43-Q46 PolarHBondContact O-N 3.49Å; F43-L47 VanDerWaalsContact O-CB 3.25Å; F43-L47 WeakPolarHBondContact O-CB 3.42Å; F43-L47 PolarHBondContact O-N 2.79Å |
| 44 | L | 83.9 | Confident | 81.4 | Confident | 116 Ų | 116 | 88.8 Ų | 88.8 | 61% | 0.607 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.2 | -37.4 | 175.7 | -70.6 | 169.3 | 0 | 0 | 0 | 112.1 | E40 C42 A48 | E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.39Å; C42-L44 PolarHBondContact O-N 3.28Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.42Å; L44-A48 PolarHBondContact O-N 3.23Å |
| 45 | T | 82 | Confident | 80.3 | Confident | 101 Ų | 101 | 90.2 Ų | 90.2 | 62% | 0.62 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71 | -41.3 | 177 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | K41 C42 F43 A48 G49 | K41-T45 WeakPolarHBondContact O-CB 3.49Å; K41-T45 PolarHBondContact O-N 3.25Å; K41-T45 PolarHBondContact O-OG1 2.87Å; C42-T45 PolarHBondContact O-N 3.08Å; F43-T45 VanDerWaalsContact C-N 3.29Å; F43-T45 PolarHBondContact O-N 3.44Å; T45-A48 PolarHBondContact O-N 2.91Å; T45-G49 PolarHBondContact O-N 3.37Å |
| 46 | Q | 79.9 | Confident | 79.4 | Confident | 119 Ų | 119 | 92 Ų | 92 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 174.2 | -71.4 | 177.4 | 4.8 | 0 | 0 | 111.5 | C42 F43 G49 F50 | C42-Q46 WeakPolarHBondContact O-CG 3.46Å; C42-Q46 PolarHBondContact O-N 2.9Å; F43-Q46 PolarHBondContact O-N 3.49Å; Q46-G49 PolarHBondContact O-N 2.88Å; Q46-F50 WeakPolarHBondContact O-CB 3.4Å; Q46-F50 PolarHBondContact O-N 3.37Å |
| 47 | L | 81.3 | Confident | 78.2 | Confident | 50 Ų | 50 | 93.5 Ų | 93.5 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 175.1 | -175.1 | 68.8 | 0 | 0 | 0 | 111 | F43 G49 F50 L51 M70 | F43-L47 VanDerWaalsContact O-CB 3.25Å; F43-L47 WeakPolarHBondContact O-CB 3.42Å; F43-L47 PolarHBondContact O-N 2.79Å; L47-G49 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 3.26Å; L47-F50 PolarHBondContact O-N 2.94Å; L47-L51 HydrophobicContact CD1-CD1 4.32Å; L47-L51 HydrophobicContact CD1-CG 4.5Å; L47-L51 HydrophobicContact CG-CD1 3.9Å; L47-L51 HydrophobicContact CG-CG 4.46Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 3.32Å; L47-M70 HydrophobicContact CD1-CE 3.93Å; L47-M70 HydrophobicContact CD1-SD 3.74Å; L47-M70 HydrophobicContact CD2-CE 4.47Å |
| 48 | A | 82.6 | Confident | 76.7 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 47% | 0.471 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L44 T45 L51 A52 | L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.42Å; L44-A48 PolarHBondContact O-N 3.23Å; T45-A48 PolarHBondContact O-N 2.91Å; A48-L51 PolarHBondContact O-N 3.2Å; A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.34Å |
| 49 | G | 81.3 | Confident | 75.5 | Confident | 34 Ų | 34 | 99.3 Ų | 99.3 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T45 Q46 L47 N53 | T45-G49 PolarHBondContact O-N 3.37Å; Q46-G49 PolarHBondContact O-N 2.88Å; L47-G49 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 3.26Å; G49-N53 WeakPolarHBondContact O-CB 3.47Å; G49-N53 VanDerWaalsContact O-CG 3.31Å; G49-N53 PolarHBondContact O-N 2.9Å; G49-N53 VanDerWaalsContact O-N 3.1Å; G49-N53 PolarHBondContact O-ND2 3.16Å |
| 50 | F | 78.3 | Confident | 74.4 | Confident | 102 Ų | 102 | 101.2 Ų | 101.2 | 45% | 0.447 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -49 | 174.6 | 179.9 | -97.9 | 0 | 0 | 0 | 111.3 | Q46 L47 A52 N53 Q54 L66 | Q46-F50 WeakPolarHBondContact O-CB 3.4Å; Q46-F50 PolarHBondContact O-N 3.37Å; L47-F50 PolarHBondContact O-N 2.94Å; F50-A52 PolarHBondContact O-N 3Å; F50-N53 PolarHBondContact O-N 3.21Å; F50-N53 VanDerWaalsContact O-N 3.16Å; F50-Q54 HydrophobicContact CD1-CG 4.08Å; F50-Q54 HydrophobicContact CE1-CG 3.78Å; F50-Q54 HydrophobicContact CE2-CG 4.31Å; F50-Q54 HydrophobicContact CG-CG 4.48Å; F50-Q54 HydrophobicContact CZ-CG 3.92Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.27Å; F50-Q54 WeakPolarHBondContact O-CG 3.48Å; F50-Q54 PolarHBondContact O-N 3.11Å; F50-L66 HydrophobicContact CE1-CD2 3.81Å |
| 51 | L | 75.9 | Confident | 73.7 | Confident | 22 Ų | 22 | 100.3 Ų | 100.3 | 12% | 0.115 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 178.2 | -70.1 | 168.7 | 0 | 0 | 0 | 112 | L47 A48 N53 Q54 Q55 C63 I67 | L47-L51 HydrophobicContact CD1-CD1 4.32Å; L47-L51 HydrophobicContact CD1-CG 4.5Å; L47-L51 HydrophobicContact CG-CD1 3.9Å; L47-L51 HydrophobicContact CG-CG 4.46Å; L47-L51 WeakPolarHBondContact O-CB 3.43Å; L47-L51 VanDerWaalsContact O-CG 3.25Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 3.32Å; A48-L51 PolarHBondContact O-N 3.2Å; L51-N53 VanDerWaalsContact C-N 3.26Å; L51-N53 PolarHBondContact O-N 3.48Å; L51-Q54 PolarHBondContact O-N 2.84Å; L51-Q55 WeakPolarHBondContact O-CB 3.46Å; L51-Q55 WeakPolarHBondContact O-CG 3.23Å; L51-Q55 PolarHBondContact O-N 3.45Å; L51-C63 HydrophobicContact CD2-CB 4.1Å; L51-I67 HydrophobicContact CD1-CD1 3.82Å; L51-I67 HydrophobicContact CD1-CG1 3.86Å; L51-I67 HydrophobicContact CD2-CD1 3.94Å; L51-I67 HydrophobicContact CD2-CG1 3.92Å |
| 52 | A | 75 | Confident | 72.9 | Confident | 42 Ų | 42 | 99.7 Ų | 99.7 | 35% | 0.347 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -29.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A48 F50 K56 | A48-A52 VanDerWaalsContact O-CB 3.24Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.34Å; F50-A52 PolarHBondContact O-N 3Å; A52-K56 WeakPolarHBondContact O-CG 2.9Å |
| 53 | N | 71.3 | Confident | 72.4 | Confident | 104 Ų | 104 | 97.2 Ų | 97.2 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -79.1 | -33.5 | 173.2 | -75.2 | -34.5 | 0 | 0 | 0 | 112.6 | G49 F50 L51 K56 | G49-N53 WeakPolarHBondContact O-CB 3.47Å; G49-N53 VanDerWaalsContact O-CG 3.31Å; G49-N53 PolarHBondContact O-N 2.9Å; G49-N53 VanDerWaalsContact O-N 3.1Å; G49-N53 PolarHBondContact O-ND2 3.16Å; F50-N53 PolarHBondContact O-N 3.21Å; F50-N53 VanDerWaalsContact O-N 3.16Å; L51-N53 VanDerWaalsContact C-N 3.26Å; L51-N53 PolarHBondContact O-N 3.48Å; N53-K56 PolarHBondContact O-N 3.49Å |
| 54 | Q | 64.8 | Low | 72.3 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 24% | 0.243 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -74.7 | -37.5 | 175.4 | -67 | -71.2 | 26.7 | 0 | 0 | 112.5 | F50 L51 K56 K57 Y58 C63 | F50-Q54 HydrophobicContact CD1-CG 4.08Å; F50-Q54 HydrophobicContact CE1-CG 3.78Å; F50-Q54 HydrophobicContact CE2-CG 4.31Å; F50-Q54 HydrophobicContact CG-CG 4.48Å; F50-Q54 HydrophobicContact CZ-CG 3.92Å; F50-Q54 VanDerWaalsContact CZ-NE2 3.27Å; F50-Q54 WeakPolarHBondContact O-CG 3.48Å; F50-Q54 PolarHBondContact O-N 3.11Å; L51-Q54 PolarHBondContact O-N 2.84Å; Q54-K56 PolarHBondContact O-N 2.61Å; Q54-K57 WeakPolarHBondContact O-CA 3.43Å; Q54-K57 PolarHBondContact O-N 3.44Å; Q54-Y58 PolarHBondContact O-N 3.2Å; Q54-C63 VanDerWaalsContact CB-SG 3.56Å |
| 55 | Q | 62 | Low | 72.2 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.5 | -26.9 | 171.5 | -77.2 | 178.5 | -10.2 | 0 | 0 | 113 | L51 K57 | L51-Q55 WeakPolarHBondContact O-CB 3.46Å; L51-Q55 WeakPolarHBondContact O-CG 3.23Å; L51-Q55 PolarHBondContact O-N 3.45Å; Q55-K57 VanDerWaalsContact C-N 3.32Å |
| 56 | K | 66 | Low | 72.4 | Confident | 177 Ų | 177 | 93 Ų | 93 | 77% | 0.77 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -3.6 | 173.5 | -71.5 | 174.9 | -178.5 | 175.8 | 0 | 113.9 | A52 N53 Q54 | A52-K56 WeakPolarHBondContact O-CG 2.9Å; N53-K56 PolarHBondContact O-N 3.49Å; Q54-K56 PolarHBondContact O-N 2.61Å |
| 57 | K | 62.8 | Low | 72.7 | Confident | 149 Ų | 149 | 90.5 Ų | 90.5 | 65% | 0.648 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | -33.9 | -166.1 | -161.6 | -177.8 | 179.9 | -173.6 | 0 | 114.6 | Q54 Q55 | Q54-K57 WeakPolarHBondContact O-CA 3.43Å; Q54-K57 PolarHBondContact O-N 3.44Å; Q55-K57 VanDerWaalsContact C-N 3.32Å |
| 58 | Y | 55.6 | Low | 73 | Confident | 128 Ų | 128 | 94.9 Ų | 94.9 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -135 | 167.4 | -178.1 | -75.4 | -84.3 | 0 | 0 | 0 | 111.8 | Q54 | Q54-Y58 PolarHBondContact O-N 3.2Š|
| 59 | K | 62.5 | Low | 73.2 | Confident | 174 Ų | 174 | 98.1 Ų | 98.1 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | trans | -66.2 | 141.3 | -179.4 | -74.5 | -179.3 | 176.5 | 177.8 | 0 | 110.7 | E61 E62 | K59-E61 PolarHBondContact O-N 3.26Å; K59-E62 PolarHBondContact O-N 2.89Å | ||
| 60 | Y | 63 | Low | 73.4 | Confident | 157 Ų | 157 | 100.4 Ų | 100.4 | 62% | 0.616 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -44.4 | -35.5 | -178 | -175.6 | -101.7 | 0 | 0 | 0 | 115.1 | E62 C63 K64 | Y60-E62 PolarHBondContact O-N 3.46Å; Y60-C63 WeakPolarHBondContact O-CB 3.45Å; Y60-C63 PolarHBondContact O-N 3.26Å; Y60-K64 HydrophobicContact CE1-CD 4.41Å; Y60-K64 PolarHBondContact O-N 3.14Å; Y60-K64 VanDerWaalsContact O-N 3.11Å |
| 61 | E | 69.4 | Low | 73.9 | Confident | 94 Ų | 94 | 100.6 Ų | 100.6 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | -173.4 | -136.3 | 63.5 | -173.9 | 0 | 0 | 113.9 | K59 C63 K64 D65 | K59-E61 PolarHBondContact O-N 3.26Å; E61-C63 VanDerWaalsContact C-N 3.3Å; E61-C63 PolarHBondContact O-N 2.95Å; E61-K64 WeakPolarHBondContact O-CB 3.19Å; E61-K64 PolarHBondContact O-N 2.96Å; E61-K64 WeakPolarHBondContact OE1-CD 3.38Å; E61-K64 IonicContact OE1-NZ 2.63Å; E61-K64 PolarHBondContact OE1-NZ 3.14Å; E61-K64 IonicContact OE2-NZ 3.8Å; E61-D65 PolarHBondContact O-N 3.42Å |
| 62 | E | 69.9 | Low | 74.6 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.8 | -34.4 | 177.3 | -70.1 | 169.6 | -156.9 | 0 | 0 | 111.7 | K59 Y60 L66 | K59-E62 PolarHBondContact O-N 2.89Å; Y60-E62 PolarHBondContact O-N 3.46Å; E62-L66 WeakPolarHBondContact O-CB 3.33Å; E62-L66 PolarHBondContact O-N 2.86Å; E62-L66 VanDerWaalsContact O-N 3.15Å |
| 63 | C | 69.8 | Low | 75 | Confident | 8 Ų | 8 | 108.4 Ų | 108.4 | 5% | 0.054 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 174 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | L51 Q54 Y60 E61 L66 I67 | L51-C63 HydrophobicContact CD2-CB 4.1Å; Q54-C63 VanDerWaalsContact CB-SG 3.56Å; Y60-C63 WeakPolarHBondContact O-CB 3.45Å; Y60-C63 PolarHBondContact O-N 3.26Å; E61-C63 VanDerWaalsContact C-N 3.3Å; E61-C63 PolarHBondContact O-N 2.95Å; C63-L66 PolarHBondContact O-N 3.16Å; C63-I67 WeakPolarHBondContact O-CD1 3.26Å; C63-I67 VanDerWaalsContact O-CG1 3.24Å; C63-I67 WeakPolarHBondContact O-CG1 3.5Å; C63-I67 PolarHBondContact O-N 3.41Å |
| 64 | K | 80.3 | Confident | 75.7 | Confident | 103 Ų | 103 | 108 Ų | 108 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 179 | 175.4 | -172.3 | 174.2 | -173 | 0 | 111.8 | Y60 E61 I67 K68 | Y60-K64 HydrophobicContact CE1-CD 4.41Å; Y60-K64 PolarHBondContact O-N 3.14Å; Y60-K64 VanDerWaalsContact O-N 3.11Å; E61-K64 WeakPolarHBondContact O-CB 3.19Å; E61-K64 PolarHBondContact O-N 2.96Å; E61-K64 WeakPolarHBondContact OE1-CD 3.38Å; E61-K64 IonicContact OE1-NZ 2.63Å; E61-K64 PolarHBondContact OE1-NZ 3.14Å; E61-K64 IonicContact OE2-NZ 3.8Å; K64-I67 PolarHBondContact O-N 3.41Å; K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 3.31Å |
| 65 | D | 82.9 | Confident | 76.8 | Confident | 85 Ų | 85 | 114.2 Ų | 114.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.1 | -34.3 | 176.3 | -78.9 | -37.9 | 0 | 0 | 0 | 112.7 | E61 K68 F69 | E61-D65 PolarHBondContact O-N 3.42Å; D65-K68 PolarHBondContact O-N 3.08Å; D65-K68 IonicContact OD1-NZ 3.72Å; D65-F69 WeakPolarHBondContact O-CB 3.46Å; D65-F69 PolarHBondContact O-N 3.34Å |
| 66 | L | 85.4 | Confident | 78 | Confident | 63 Ų | 63 | 113.7 Ų | 113.7 | 33% | 0.33 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 171.3 | 178.7 | 61.5 | 0 | 0 | 0 | 112.1 | F50 E62 C63 K68 F69 M70 | F50-L66 HydrophobicContact CE1-CD2 3.81Å; E62-L66 WeakPolarHBondContact O-CB 3.33Å; E62-L66 PolarHBondContact O-N 2.86Å; E62-L66 VanDerWaalsContact O-N 3.15Å; C63-L66 PolarHBondContact O-N 3.16Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 2.86Å; L66-F69 PolarHBondContact O-N 2.84Å; L66-M70 HydrophobicContact CD1-CG 4.29Å; L66-M70 HydrophobicContact CD1-SD 4.29Å; L66-M70 HydrophobicContact CG-SD 4.35Å; L66-M70 WeakPolarHBondContact O-CG 3.28Å; L66-M70 PolarHBondContact O-N 2.84Å |
| 67 | I | 86 | Confident | 78.9 | Confident | 66 Ų | 66 | 111.9 Ų | 111.9 | 34% | 0.338 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.6 | -68.9 | 161.5 | 0 | 0 | 0 | 110.4 | L51 C63 K64 F69 M70 L71 | L51-I67 HydrophobicContact CD1-CD1 3.82Å; L51-I67 HydrophobicContact CD1-CG1 3.86Å; L51-I67 HydrophobicContact CD2-CD1 3.94Å; L51-I67 HydrophobicContact CD2-CG1 3.92Å; C63-I67 WeakPolarHBondContact O-CD1 3.26Å; C63-I67 VanDerWaalsContact O-CG1 3.24Å; C63-I67 WeakPolarHBondContact O-CG1 3.5Å; C63-I67 PolarHBondContact O-N 3.41Å; K64-I67 PolarHBondContact O-N 3.41Å; I67-F69 VanDerWaalsContact C-N 3.35Å; I67-F69 PolarHBondContact O-N 3.38Å; I67-M70 PolarHBondContact O-N 2.86Å; I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CG 4.34Å; I67-L71 WeakPolarHBondContact O-CB 3.14Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.49Å |
| 68 | K | 88.4 | Confident | 80.2 | Confident | 142 Ų | 142 | 110.2 Ų | 110.2 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 178.8 | -178.1 | -177.6 | 172.9 | -168.8 | 0 | 112.7 | K64 D65 L66 R72 | K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 3.31Å; D65-K68 PolarHBondContact O-N 3.08Å; D65-K68 IonicContact OD1-NZ 3.72Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 2.86Å; K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 2.96Å; K68-R72 VanDerWaalsContact O-N 3.15Å |
| 69 | F | 85.9 | Confident | 81.9 | Confident | 125 Ų | 125 | 110 Ų | 110 | 55% | 0.548 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -49.8 | 173.4 | 177.8 | -113.2 | 0 | 0 | 0 | 111.4 | D65 L66 I67 L71 R72 N73 | D65-F69 WeakPolarHBondContact O-CB 3.46Å; D65-F69 PolarHBondContact O-N 3.34Å; L66-F69 PolarHBondContact O-N 2.84Å; I67-F69 VanDerWaalsContact C-N 3.35Å; I67-F69 PolarHBondContact O-N 3.38Å; F69-L71 PolarHBondContact O-N 3.09Å; F69-R72 WeakPolarHBondContact O-CB 3.34Å; F69-R72 PolarHBondContact O-N 3.3Å; F69-R72 VanDerWaalsContact O-N 3.14Å; F69-N73 WeakPolarHBondContact CE1-ND2 3.46Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.5Å; F69-N73 PolarHBondContact O-N 3.05Å; F69-N73 PolarHBondContact O-OD1 3.22Å |
| 70 | M | 87 | Confident | 83.4 | Confident | 82 Ų | 82 | 108.3 Ų | 108.3 | 40% | 0.404 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.9 | -69.6 | -175.6 | 70 | 0 | 0 | 112.5 | L47 L66 I67 R72 N73 E74 | L47-M70 HydrophobicContact CD1-CE 3.93Å; L47-M70 HydrophobicContact CD1-SD 3.74Å; L47-M70 HydrophobicContact CD2-CE 4.47Å; L66-M70 HydrophobicContact CD1-CG 4.29Å; L66-M70 HydrophobicContact CD1-SD 4.29Å; L66-M70 HydrophobicContact CG-SD 4.35Å; L66-M70 WeakPolarHBondContact O-CG 3.28Å; L66-M70 PolarHBondContact O-N 2.84Å; I67-M70 PolarHBondContact O-N 2.86Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.14Å; M70-N73 PolarHBondContact O-N 2.94Å; M70-E74 WeakPolarHBondContact O-CB 3.28Å; M70-E74 PolarHBondContact O-N 3.1Å |
| 71 | L | 88.8 | Confident | 84.9 | Confident | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -30.9 | 176 | -72.1 | 172.1 | 0 | 0 | 0 | 113.3 | I67 F69 R75 | I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CG 4.34Å; I67-L71 WeakPolarHBondContact O-CB 3.14Å; I67-L71 WeakPolarHBondContact O-CG 3.19Å; I67-L71 PolarHBondContact O-N 3.49Å; F69-L71 PolarHBondContact O-N 3.09Å; L71-R75 PolarHBondContact O-N 3.06Å |
| 72 | R | 89.9 | Confident | 86.1 | Confident | 171 Ų | 171 | 107.1 Ų | 107.1 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.6 | -48.4 | 171.7 | 171.5 | 174.6 | -77.3 | -153.8 | -5.3 | 110.5 | K68 F69 M70 E74 R75 Q76 | K68-R72 WeakPolarHBondContact O-CB 3.45Å; K68-R72 PolarHBondContact O-N 2.96Å; K68-R72 VanDerWaalsContact O-N 3.15Å; F69-R72 WeakPolarHBondContact O-CB 3.34Å; F69-R72 PolarHBondContact O-N 3.3Å; F69-R72 VanDerWaalsContact O-N 3.14Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.14Å; R72-E74 PolarHBondContact O-N 3.2Å; R72-R75 WeakPolarHBondContact O-CB 3.48Å; R72-R75 PolarHBondContact O-N 3.39Å; R72-Q76 HydrophobicContact CG-CG 4.47Å; R72-Q76 WeakPolarHBondContact O-CG 3.35Å; R72-Q76 PolarHBondContact O-N 3.41Å |
| 73 | N | 83.2 | Confident | 87.2 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 31% | 0.305 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | -177.7 | -59.3 | -2.8 | 0 | 0 | 0 | 111.6 | F69 M70 R75 Q76 F77 | F69-N73 WeakPolarHBondContact CE1-ND2 3.46Å; F69-N73 WeakPolarHBondContact CZ-ND2 3.5Å; F69-N73 PolarHBondContact O-N 3.05Å; F69-N73 PolarHBondContact O-OD1 3.22Å; M70-N73 PolarHBondContact O-N 2.94Å; N73-R75 VanDerWaalsContact C-N 3.3Å; N73-R75 PolarHBondContact O-N 3.08Å; N73-Q76 PolarHBondContact O-N 3.42Å; N73-F77 WeakPolarHBondContact O-CB 3.35Å; N73-F77 PolarHBondContact O-N 2.9Å |
| 74 | E | 86.8 | Confident | 88.5 | Confident | 97 Ų | 97 | 107.3 Ų | 107.3 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 175.7 | -164.1 | -162.3 | 134.1 | 0 | 0 | 112 | M70 R72 K78 | M70-E74 WeakPolarHBondContact O-CB 3.28Å; M70-E74 PolarHBondContact O-N 3.1Å; R72-E74 PolarHBondContact O-N 3.2Å; E74-K78 WeakPolarHBondContact O-CD 3.28Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.21Å; E74-K78 PolarHBondContact O-N 2.88Å; E74-K78 WeakPolarHBondContact OE1-CE 3.2Å; E74-K78 IonicContact OE1-NZ 3.16Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å |
| 75 | R | 86.6 | Confident | 89.2 | Confident | 181 Ų | 181 | 107.2 Ų | 107.2 | 68% | 0.683 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -49.9 | 171.1 | -176.2 | -173 | -61.1 | -162.8 | -2.9 | 111.1 | L71 R72 N73 F77 K78 E79 | L71-R75 PolarHBondContact O-N 3.06Å; R72-R75 WeakPolarHBondContact O-CB 3.48Å; R72-R75 PolarHBondContact O-N 3.39Å; N73-R75 VanDerWaalsContact C-N 3.3Å; N73-R75 PolarHBondContact O-N 3.08Å; R75-F77 VanDerWaalsContact C-N 3.34Å; R75-F77 PolarHBondContact O-N 3.24Å; R75-K78 WeakPolarHBondContact O-CB 3.45Å; R75-K78 PolarHBondContact O-N 3.22Å; R75-K78 VanDerWaalsContact O-N 3.08Å; R75-E79 WeakPolarHBondContact O-CB 3.39Å; R75-E79 PolarHBondContact O-N 3.03Å |
| 76 | Q | 87.8 | Confident | 89.9 | Confident | 100 Ų | 100 | 109.1 Ų | 109.1 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | -178 | -71 | 178.5 | -71.4 | 0 | 0 | 112 | R72 N73 K78 E79 E80 | R72-Q76 HydrophobicContact CG-CG 4.47Å; R72-Q76 WeakPolarHBondContact O-CG 3.35Å; R72-Q76 PolarHBondContact O-N 3.41Å; N73-Q76 PolarHBondContact O-N 3.42Å; Q76-K78 VanDerWaalsContact C-N 3.31Å; Q76-K78 PolarHBondContact O-N 2.9Å; Q76-E79 WeakPolarHBondContact O-CB 3.15Å; Q76-E79 PolarHBondContact O-N 2.89Å; Q76-E80 VanDerWaalsContact O-CB 3.28Å; Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.47Å |
| 77 | F | 85.9 | Confident | 90.4 | Very high | 139 Ų | 139 | 110.7 Ų | 110.7 | 61% | 0.61 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -36.1 | 174.2 | 176.6 | -104.9 | 0 | 0 | 0 | 113 | N73 R75 K81 | N73-F77 WeakPolarHBondContact O-CB 3.35Å; N73-F77 PolarHBondContact O-N 2.9Å; R75-F77 VanDerWaalsContact C-N 3.34Å; R75-F77 PolarHBondContact O-N 3.24Å; F77-K81 VanDerWaalsContact O-CB 3.26Å; F77-K81 WeakPolarHBondContact O-CB 3.47Å; F77-K81 PolarHBondContact O-N 3.4Å; F77-K81 VanDerWaalsContact O-N 3.1Å |
| 78 | K | 90 | Very high | 90.9 | Very high | 113 Ų | 113 | 112 Ų | 112 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 174.4 | -74 | 168.6 | 174.4 | 174.6 | 0 | 111.9 | E74 R75 Q76 L82 | E74-K78 WeakPolarHBondContact O-CD 3.28Å; E74-K78 VanDerWaalsContact O-CG 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.21Å; E74-K78 PolarHBondContact O-N 2.88Å; E74-K78 WeakPolarHBondContact OE1-CE 3.2Å; E74-K78 IonicContact OE1-NZ 3.16Å; E74-K78 PolarHBondContact OE1-NZ 2.82Å; R75-K78 WeakPolarHBondContact O-CB 3.45Å; R75-K78 PolarHBondContact O-N 3.22Å; R75-K78 VanDerWaalsContact O-N 3.08Å; Q76-K78 VanDerWaalsContact C-N 3.31Å; Q76-K78 PolarHBondContact O-N 2.9Å; K78-L82 WeakPolarHBondContact O-CB 3.22Å; K78-L82 VanDerWaalsContact O-CG 3.28Å; K78-L82 WeakPolarHBondContact O-CG 3.21Å; K78-L82 PolarHBondContact O-N 2.95Å |
| 79 | E | 91.5 | Very high | 91.2 | Very high | 124 Ų | 124 | 107.9 Ų | 107.9 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -47.2 | 178.4 | -171.3 | 171.9 | 179 | 0 | 0 | 111.7 | R75 Q76 L82 A83 | R75-E79 WeakPolarHBondContact O-CB 3.39Å; R75-E79 PolarHBondContact O-N 3.03Å; Q76-E79 WeakPolarHBondContact O-CB 3.15Å; Q76-E79 PolarHBondContact O-N 2.89Å; E79-L82 PolarHBondContact O-N 3.25Å; E79-A83 PolarHBondContact O-N 3.38Å |
| 80 | E | 92.2 | Very high | 91.8 | Very high | 138 Ų | 138 | 105.4 Ų | 105.4 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -45.7 | 173.1 | -179 | 176.3 | -156.9 | 0 | 0 | 111.8 | Q76 L82 A83 E84 | Q76-E80 VanDerWaalsContact O-CB 3.28Å; Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.47Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.14Å; E80-A83 PolarHBondContact O-N 3.41Å; E80-E84 PolarHBondContact O-N 2.84Å |
| 81 | K | 95.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 106.2 Ų | 106.2 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 175.3 | -175.3 | -177.6 | 175.9 | -171.5 | 0 | 112.4 | F77 Q85 | F77-K81 VanDerWaalsContact O-CB 3.26Å; F77-K81 WeakPolarHBondContact O-CB 3.47Å; F77-K81 PolarHBondContact O-N 3.4Å; F77-K81 VanDerWaalsContact O-N 3.1Å; K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 2.93Å |
| 82 | L | 94 | Very high | 92.6 | Very high | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -37.1 | 176.4 | -74.8 | 168.9 | 0 | 0 | 0 | 111.8 | K78 E79 E80 Q85 L86 | K78-L82 WeakPolarHBondContact O-CB 3.22Å; K78-L82 VanDerWaalsContact O-CG 3.28Å; K78-L82 WeakPolarHBondContact O-CG 3.21Å; K78-L82 PolarHBondContact O-N 2.95Å; E79-L82 PolarHBondContact O-N 3.25Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-L82 PolarHBondContact O-N 3.14Å; L82-Q85 PolarHBondContact O-N 3.44Å; L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 2.95Å |
| 83 | A | 94.6 | Very high | 92.9 | Very high | 56 Ų | 56 | 106 Ų | 106 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E79 E80 L86 K87 | E79-A83 PolarHBondContact O-N 3.38Å; E80-A83 PolarHBondContact O-N 3.41Å; A83-L86 PolarHBondContact O-N 3.5Å; A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.22Å |
| 84 | E | 95.6 | Very high | 93.6 | Very high | 79 Ų | 79 | 108.9 Ų | 108.9 | 37% | 0.369 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -35.4 | 176.6 | -176.2 | 55.6 | -153.2 | 0 | 0 | 111.9 | E80 K87 Q88 | E80-E84 PolarHBondContact O-N 2.84Å; E84-K87 PolarHBondContact O-N 2.88Å; E84-K87 IonicContact OE1-NZ 3.04Å; E84-K87 PolarHBondContact OE1-NZ 3.37Å; E84-K87 IonicContact OE2-NZ 3.79Å; E84-K87 PolarHBondContact OE2-NZ 3.07Å; E84-Q88 VanDerWaalsContact O-CG 3.29Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-N 3.23Å; E84-Q88 PolarHBondContact OE1-NE2 3.47Å |
| 85 | Q | 96.4 | Very high | 94.1 | Very high | 102 Ų | 102 | 110.5 Ų | 110.5 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 171.5 | -72.8 | -172.5 | -76.6 | 0 | 0 | 112.8 | K81 L82 A89 | K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 2.93Å; L82-Q85 PolarHBondContact O-N 3.44Å; Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 3.34Å |
| 86 | L | 96.4 | Very high | 94.6 | Very high | 124 Ų | 124 | 108 Ų | 108 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 174.8 | -77.5 | 167.8 | 0 | 0 | 0 | 111.9 | L82 A83 A89 E90 | L82-L86 WeakPolarHBondContact O-CB 3.35Å; L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 2.95Å; A83-L86 PolarHBondContact O-N 3.5Å; L86-A89 PolarHBondContact O-N 2.91Å; L86-E90 PolarHBondContact O-N 2.88Å |
| 87 | K | 96.7 | Very high | 95 | Very high | 96 Ų | 96 | 108 Ų | 108 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 173.9 | 171.1 | 170.4 | 152.3 | -75.1 | 0 | 111.4 | A83 E84 A89 E90 E91 | A83-K87 WeakPolarHBondContact O-CB 3.31Å; A83-K87 PolarHBondContact O-N 3.22Å; E84-K87 PolarHBondContact O-N 2.88Å; E84-K87 IonicContact OE1-NZ 3.04Å; E84-K87 PolarHBondContact OE1-NZ 3.37Å; E84-K87 IonicContact OE2-NZ 3.79Å; E84-K87 PolarHBondContact OE2-NZ 3.07Å; K87-A89 VanDerWaalsContact C-N 3.31Å; K87-A89 PolarHBondContact O-N 2.96Å; K87-E90 PolarHBondContact O-N 3.24Å; K87-E91 WeakPolarHBondContact CE-OE1 3.29Å; K87-E91 VanDerWaalsContact CG-OE1 3.3Å; K87-E91 WeakPolarHBondContact CG-OE1 3.35Å; K87-E91 IonicContact NZ-OE1 3.15Å; K87-E91 PolarHBondContact NZ-OE1 3.21Å; K87-E91 WeakPolarHBondContact O-CG 3.39Å; K87-E91 PolarHBondContact O-N 2.85Å |
| 88 | Q | 96.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 106.2 Ų | 106.2 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -37 | 176.2 | -70.2 | 168.9 | 12.8 | 0 | 0 | 112.4 | E84 L92 | E84-Q88 VanDerWaalsContact O-CG 3.29Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-N 3.23Å; E84-Q88 PolarHBondContact OE1-NE2 3.47Å; Q88-L92 WeakPolarHBondContact O-CB 3.35Å; Q88-L92 VanDerWaalsContact O-CG 3.3Å; Q88-L92 WeakPolarHBondContact O-CG 3.46Å; Q88-L92 PolarHBondContact O-N 2.97Å |
| 89 | A | 95.6 | Very high | 96 | Very high | 56 Ų | 56 | 102.7 Ų | 102.7 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -37.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q85 L86 K87 R93 | Q85-A89 WeakPolarHBondContact O-CB 3.44Å; Q85-A89 PolarHBondContact O-N 3.34Å; L86-A89 PolarHBondContact O-N 2.91Å; K87-A89 VanDerWaalsContact C-N 3.31Å; K87-A89 PolarHBondContact O-N 2.96Å; A89-R93 WeakPolarHBondContact O-CB 3.34Å; A89-R93 PolarHBondContact O-N 3.03Å |
| 90 | E | 96.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 100 Ų | 100 | 35% | 0.346 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.6 | -37.4 | 176.2 | -175.5 | 58.8 | -149.2 | 0 | 0 | 111.9 | L86 K87 R93 Q94 | L86-E90 PolarHBondContact O-N 2.88Å; K87-E90 PolarHBondContact O-N 3.24Å; E90-R93 VanDerWaalsContact CD-NH1 3.25Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 3.39Å; E90-R93 IonicContact OE1-CZ 3.96Å; E90-R93 IonicContact OE1-NH1 2.78Å; E90-R93 PolarHBondContact OE1-NH1 3.3Å; E90-R93 WeakPolarHBondContact OE2-CD 3.34Å; E90-R93 IonicContact OE2-CZ 3.49Å; E90-R93 IonicContact OE2-NE 2.61Å; E90-R93 IonicContact OE2-NH1 2.95Å; E90-R93 PolarHBondContact OE2-NH1 3.37Å; E90-Q94 WeakPolarHBondContact O-CG 3.34Å; E90-Q94 PolarHBondContact O-N 2.89Å; E90-Q94 PolarHBondContact OE1-NE2 2.68Å |
| 91 | E | 96.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 95.4 Ų | 95.4 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 170.8 | -73.5 | 169.9 | -166.7 | 0 | 0 | 111.2 | K87 R93 Q94 Y95 | K87-E91 WeakPolarHBondContact CE-OE1 3.29Å; K87-E91 VanDerWaalsContact CG-OE1 3.3Å; K87-E91 WeakPolarHBondContact CG-OE1 3.35Å; K87-E91 IonicContact NZ-OE1 3.15Å; K87-E91 PolarHBondContact NZ-OE1 3.21Å; K87-E91 WeakPolarHBondContact O-CG 3.39Å; K87-E91 PolarHBondContact O-N 2.85Å; E91-R93 VanDerWaalsContact C-N 3.35Å; E91-R93 PolarHBondContact O-N 3.31Å; E91-Q94 PolarHBondContact O-N 3.07Å; E91-Y95 PolarHBondContact O-N 3.04Å |
| 92 | L | 96.9 | Very high | 96.6 | Very high | 114 Ų | 114 | 95 Ų | 95 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.6 | -36.9 | 174.2 | -74.6 | 169.9 | 0 | 0 | 0 | 112.8 | Q88 Y95 K96 | Q88-L92 WeakPolarHBondContact O-CB 3.35Å; Q88-L92 VanDerWaalsContact O-CG 3.3Å; Q88-L92 WeakPolarHBondContact O-CG 3.46Å; Q88-L92 PolarHBondContact O-N 2.97Å; L92-Y95 PolarHBondContact O-N 2.98Å; L92-K96 WeakPolarHBondContact O-CB 3.4Å; L92-K96 PolarHBondContact O-N 2.78Å |
| 93 | R | 96.8 | Very high | 96.8 | Very high | 158 Ų | 158 | 94.4 Ų | 94.4 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 175.1 | 178.8 | -177.6 | 169.8 | -125.1 | -3.4 | 111.5 | A89 E90 E91 K96 V97 | A89-R93 WeakPolarHBondContact O-CB 3.34Å; A89-R93 PolarHBondContact O-N 3.03Å; E90-R93 VanDerWaalsContact CD-NH1 3.25Å; E90-R93 WeakPolarHBondContact O-CB 3.48Å; E90-R93 PolarHBondContact O-N 3.39Å; E90-R93 IonicContact OE1-CZ 3.96Å; E90-R93 IonicContact OE1-NH1 2.78Å; E90-R93 PolarHBondContact OE1-NH1 3.3Å; E90-R93 WeakPolarHBondContact OE2-CD 3.34Å; E90-R93 IonicContact OE2-CZ 3.49Å; E90-R93 IonicContact OE2-NE 2.61Å; E90-R93 IonicContact OE2-NH1 2.95Å; E90-R93 PolarHBondContact OE2-NH1 3.37Å; E91-R93 VanDerWaalsContact C-N 3.35Å; E91-R93 PolarHBondContact O-N 3.31Å; R93-K96 PolarHBondContact O-N 2.98Å; R93-V97 WeakPolarHBondContact O-CG2 3.42Å; R93-V97 PolarHBondContact O-N 3.01Å; R93-V97 VanDerWaalsContact O-N 3.14Å |
| 94 | Q | 97.1 | Very high | 96.9 | Very high | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.8 | -71 | 171.8 | 23.6 | 0 | 0 | 111.4 | E90 E91 K96 V97 L98 | E90-Q94 WeakPolarHBondContact O-CG 3.34Å; E90-Q94 PolarHBondContact O-N 2.89Å; E90-Q94 PolarHBondContact OE1-NE2 2.68Å; E91-Q94 PolarHBondContact O-N 3.07Å; Q94-K96 VanDerWaalsContact C-N 3.35Å; Q94-K96 PolarHBondContact O-N 3.21Å; Q94-V97 PolarHBondContact O-N 2.93Å; Q94-L98 PolarHBondContact O-N 3.31Å |
| 95 | Y | 96.6 | Very high | 97 | Very high | 131 Ų | 131 | 102 Ų | 102 | 51% | 0.514 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 174.4 | -176.6 | -106.8 | 0 | 0 | 0 | 112 | E91 L92 V97 L98 V99 | E91-Y95 PolarHBondContact O-N 3.04Å; L92-Y95 PolarHBondContact O-N 2.98Å; Y95-V97 VanDerWaalsContact C-N 3.31Å; Y95-V97 PolarHBondContact O-N 3.37Å; Y95-L98 WeakPolarHBondContact O-CB 3.27Å; Y95-L98 PolarHBondContact O-N 3Å; Y95-L98 VanDerWaalsContact O-N 3.1Å; Y95-V99 HydrophobicContact CD1-CG2 4.01Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.56Å; Y95-V99 HydrophobicContact CE2-CG2 4.04Å; Y95-V99 HydrophobicContact CG-CG2 4.43Å; Y95-V99 WeakPolarHBondContact O-CG2 3.2Å; Y95-V99 PolarHBondContact O-N 3.42Å |
| 96 | K | 97.4 | Very high | 97 | Very high | 129 Ų | 129 | 100.8 Ų | 100.8 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.7 | -36.7 | 176.1 | -177.7 | 167.4 | -177.2 | 170 | 0 | 113.2 | L92 R93 Q94 H100 | L92-K96 WeakPolarHBondContact O-CB 3.4Å; L92-K96 PolarHBondContact O-N 2.78Å; R93-K96 PolarHBondContact O-N 2.98Å; Q94-K96 VanDerWaalsContact C-N 3.35Å; Q94-K96 PolarHBondContact O-N 3.21Å; K96-H100 WeakPolarHBondContact CE-NE2 3.21Å; K96-H100 WeakPolarHBondContact O-CB 3.49Å; K96-H100 PolarHBondContact O-CD2 3Å; K96-H100 VanDerWaalsContact O-CD2 3.26Å; K96-H100 PolarHBondContact O-N 2.93Å; K96-H100 VanDerWaalsContact O-N 3.08Å |
| 97 | V | 97.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 98.8 Ų | 98.8 | 60% | 0.6 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 174 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | R93 Q94 Y95 H100 S101 | R93-V97 WeakPolarHBondContact O-CG2 3.42Å; R93-V97 PolarHBondContact O-N 3.01Å; R93-V97 VanDerWaalsContact O-N 3.14Å; Q94-V97 PolarHBondContact O-N 2.93Å; Y95-V97 VanDerWaalsContact C-N 3.31Å; Y95-V97 PolarHBondContact O-N 3.37Å; V97-H100 PolarHBondContact O-N 3.41Å; V97-S101 PolarHBondContact O-N 3.21Å; V97-S101 PolarHBondContact O-OG 3.34Å |
| 98 | L | 97.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 99.2 Ų | 99.2 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 177.6 | -178.5 | 62.8 | 0 | 0 | 0 | 112.1 | Q94 Y95 H100 S101 Q102 | Q94-L98 PolarHBondContact O-N 3.31Å; Y95-L98 WeakPolarHBondContact O-CB 3.27Å; Y95-L98 PolarHBondContact O-N 3Å; Y95-L98 VanDerWaalsContact O-N 3.1Å; L98-H100 PolarHBondContact O-N 3.14Å; L98-S101 WeakPolarHBondContact CA-OG 3.29Å; L98-S101 PolarHBondContact O-N 3.31Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-S101 PolarHBondContact O-OG 2.81Å; L98-Q102 PolarHBondContact O-N 2.77Å |
| 99 | V | 97.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 99.3 Ų | 99.3 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.5 | -49 | 175.3 | 174 | 0 | 0 | 0 | 0 | 110.3 | Y95 S101 Q102 E103 | Y95-V99 HydrophobicContact CD1-CG2 4.01Å; Y95-V99 HydrophobicContact CD2-CG2 4.45Å; Y95-V99 HydrophobicContact CE1-CG2 3.56Å; Y95-V99 HydrophobicContact CE2-CG2 4.04Å; Y95-V99 HydrophobicContact CG-CG2 4.43Å; Y95-V99 WeakPolarHBondContact O-CG2 3.2Å; Y95-V99 PolarHBondContact O-N 3.42Å; V99-S101 VanDerWaalsContact C-N 3.26Å; V99-S101 PolarHBondContact O-N 2.88Å; V99-Q102 PolarHBondContact O-N 3.42Å; V99-E103 HydrophobicContact CG1-CG 4.25Å; V99-E103 WeakPolarHBondContact O-CG 3.47Å; V99-E103 PolarHBondContact O-N 2.96Å |
| 100 | H | 97.4 | Very high | 97.1 | Very high | 67 Ų | 67 | 104.9 Ų | 104.9 | 31% | 0.31 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -20.3 | 176.9 | -71.9 | -36.1 | 0 | 0 | 0 | 114.8 | K96 V97 L98 E103 R104 | K96-H100 WeakPolarHBondContact CE-NE2 3.21Å; K96-H100 WeakPolarHBondContact O-CB 3.49Å; K96-H100 PolarHBondContact O-CD2 3Å; K96-H100 VanDerWaalsContact O-CD2 3.26Å; K96-H100 PolarHBondContact O-N 2.93Å; K96-H100 VanDerWaalsContact O-N 3.08Å; V97-H100 PolarHBondContact O-N 3.41Å; L98-H100 PolarHBondContact O-N 3.14Å; H100-E103 WeakPolarHBondContact CA-OE2 3.44Å; H100-E103 IonicContact CE1-OE2 3.75Å; H100-E103 IonicContact CG-OE2 3.66Å; H100-E103 IonicContact ND1-OE1 3.94Å; H100-E103 IonicContact ND1-OE2 2.93Å; H100-E103 PolarHBondContact ND1-OE2 3.19Å; H100-R104 VanDerWaalsContact O-CD 3.23Å; H100-R104 WeakPolarHBondContact O-CD 3.46Å; H100-R104 VanDerWaalsContact O-CG 3.25Å; H100-R104 WeakPolarHBondContact O-CG 3.45Å; H100-R104 PolarHBondContact O-NE 2.98Å |
| 101 | S | 96.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 106.8 Ų | 106.8 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.3 | -44.5 | 166.3 | 43.9 | 0 | 0 | 0 | 0 | 112 | V97 L98 V99 E103 R104 E105 | V97-S101 PolarHBondContact O-N 3.21Å; V97-S101 PolarHBondContact O-OG 3.34Å; L98-S101 WeakPolarHBondContact CA-OG 3.29Å; L98-S101 PolarHBondContact O-N 3.31Å; L98-S101 VanDerWaalsContact O-N 3.1Å; L98-S101 PolarHBondContact O-OG 2.81Å; V99-S101 VanDerWaalsContact C-N 3.26Å; V99-S101 PolarHBondContact O-N 2.88Å; S101-E103 PolarHBondContact O-N 3.44Å; S101-R104 WeakPolarHBondContact O-CB 3.43Å; S101-R104 PolarHBondContact O-N 2.77Å; S101-R104 VanDerWaalsContact O-N 3.15Å; S101-E105 PolarHBondContact O-N 3.22Å; S101-E105 VanDerWaalsContact O-N 3.09Å |
| 102 | Q | 98.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | -179.1 | -169.9 | 174.8 | -2.5 | 0 | 0 | 112.1 | L98 V99 R104 E105 L106 | L98-Q102 PolarHBondContact O-N 2.77Å; V99-Q102 PolarHBondContact O-N 3.42Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 2.68Å; Q102-E105 PolarHBondContact O-N 3.01Å; Q102-L106 HydrophobicContact CG-CD1 4.26Å; Q102-L106 WeakPolarHBondContact O-CB 3.35Å; Q102-L106 VanDerWaalsContact O-CG 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.35Å; Q102-L106 PolarHBondContact O-N 2.79Å |
| 103 | E | 97.2 | Very high | 97 | Very high | 92 Ų | 92 | 106.2 Ų | 106.2 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56 | -40.6 | 171.6 | -74.4 | 169.8 | 173 | 0 | 0 | 112.5 | V99 H100 S101 T107 | V99-E103 HydrophobicContact CG1-CG 4.25Å; V99-E103 WeakPolarHBondContact O-CG 3.47Å; V99-E103 PolarHBondContact O-N 2.96Å; H100-E103 WeakPolarHBondContact CA-OE2 3.44Å; H100-E103 IonicContact CE1-OE2 3.75Å; H100-E103 IonicContact CG-OE2 3.66Å; H100-E103 IonicContact ND1-OE1 3.94Å; H100-E103 IonicContact ND1-OE2 2.93Å; H100-E103 PolarHBondContact ND1-OE2 3.19Å; S101-E103 PolarHBondContact O-N 3.44Å; E103-T107 WeakPolarHBondContact O-CB 3.31Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 2.85Å |
| 104 | R | 97.5 | Very high | 97 | Very high | 162 Ų | 162 | 106.3 Ų | 106.3 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.6 | -42 | 178.4 | -66.9 | 167 | -168.7 | 161.6 | 6 | 111.5 | H100 S101 Q102 T107 Q108 | H100-R104 VanDerWaalsContact O-CD 3.23Å; H100-R104 WeakPolarHBondContact O-CD 3.46Å; H100-R104 VanDerWaalsContact O-CG 3.25Å; H100-R104 WeakPolarHBondContact O-CG 3.45Å; H100-R104 PolarHBondContact O-NE 2.98Å; S101-R104 WeakPolarHBondContact O-CB 3.43Å; S101-R104 PolarHBondContact O-N 2.77Å; S101-R104 VanDerWaalsContact O-N 3.15Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 2.68Å; R104-T107 WeakPolarHBondContact O-CB 3.45Å; R104-T107 PolarHBondContact O-N 3.47Å; R104-Q108 WeakPolarHBondContact O-CG 3.02Å; R104-Q108 PolarHBondContact O-N 3.02Å |
| 105 | E | 98.1 | Very high | 97 | Very high | 131 Ų | 131 | 106.4 Ų | 106.4 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 176.2 | -70.5 | 179.7 | -167.3 | 0 | 0 | 111.5 | S101 Q102 T107 Q108 L109 | S101-E105 PolarHBondContact O-N 3.22Å; S101-E105 VanDerWaalsContact O-N 3.09Å; Q102-E105 PolarHBondContact O-N 3.01Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 2.79Å; E105-Q108 PolarHBondContact O-N 3.23Å; E105-L109 WeakPolarHBondContact O-CB 3.32Å; E105-L109 PolarHBondContact O-N 2.73Å |
| 106 | L | 96.8 | Very high | 97 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 172.8 | -72.1 | 171.7 | 0 | 0 | 0 | 112.2 | Q102 L109 R110 | Q102-L106 HydrophobicContact CG-CD1 4.26Å; Q102-L106 WeakPolarHBondContact O-CB 3.35Å; Q102-L106 VanDerWaalsContact O-CG 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.35Å; Q102-L106 PolarHBondContact O-N 2.79Å; L106-L109 PolarHBondContact O-N 2.93Å; L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CD 3.3Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.18Å; L106-R110 PolarHBondContact O-N 3.03Å |
| 107 | T | 96.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 98 Ų | 98 | 51% | 0.509 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | E103 R104 E105 L109 R110 E111 | E103-T107 WeakPolarHBondContact O-CB 3.31Å; E103-T107 PolarHBondContact O-N 3.16Å; E103-T107 PolarHBondContact O-OG1 2.85Å; R104-T107 WeakPolarHBondContact O-CB 3.45Å; R104-T107 PolarHBondContact O-N 3.47Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 2.79Å; T107-L109 VanDerWaalsContact C-N 3.3Å; T107-L109 PolarHBondContact O-N 2.82Å; T107-R110 PolarHBondContact O-N 3.27Å; T107-E111 WeakPolarHBondContact O-CB 3.43Å; T107-E111 PolarHBondContact O-N 3.24Å |
| 108 | Q | 97.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 96 Ų | 96 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -32.7 | 174.9 | -69.7 | 175.8 | 16.5 | 0 | 0 | 112.9 | R104 E105 K112 | R104-Q108 WeakPolarHBondContact O-CG 3.02Å; R104-Q108 PolarHBondContact O-N 3.02Å; E105-Q108 PolarHBondContact O-N 3.23Å; Q108-K112 WeakPolarHBondContact O-CG 3.45Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-K112 VanDerWaalsContact O-N 3.07Å |
| 109 | L | 96.6 | Very high | 96.8 | Very high | 96 Ų | 96 | 94.2 Ų | 94.2 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.1 | -43.4 | 174.8 | -175.9 | 61 | 0 | 0 | 0 | 111.5 | E105 L106 T107 E111 K112 L113 | E105-L109 WeakPolarHBondContact O-CB 3.32Å; E105-L109 PolarHBondContact O-N 2.73Å; L106-L109 PolarHBondContact O-N 2.93Å; T107-L109 VanDerWaalsContact C-N 3.3Å; T107-L109 PolarHBondContact O-N 2.82Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 2.99Å; L109-K112 PolarHBondContact O-N 3.17Å; L109-L113 HydrophobicContact CG-CD1 4.24Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.95Å |
| 110 | R | 95.3 | Very high | 96.7 | Very high | 172 Ų | 172 | 93 Ų | 93 | 65% | 0.649 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.2 | -36 | 173.9 | -75.3 | 166 | 170.1 | 173.9 | -5.6 | 112.2 | L106 T107 R114 | L106-R110 WeakPolarHBondContact O-CB 3.48Å; L106-R110 WeakPolarHBondContact O-CD 3.3Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.18Å; L106-R110 PolarHBondContact O-N 3.03Å; T107-R110 PolarHBondContact O-N 3.27Å; R110-R114 PolarHBondContact O-N 3.1Å; R110-R114 VanDerWaalsContact O-N 3.14Å |
| 111 | E | 96.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 94.2 Ų | 94.2 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.8 | -53.1 | 173 | -173.8 | 167.3 | -133 | 0 | 0 | 111.3 | T107 L109 L113 R114 E115 | T107-E111 WeakPolarHBondContact O-CB 3.43Å; T107-E111 PolarHBondContact O-N 3.24Å; L109-E111 VanDerWaalsContact C-N 3.28Å; L109-E111 PolarHBondContact O-N 2.99Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.49Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.33Å; E111-R114 VanDerWaalsContact O-CB 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.2Å; E111-R114 PolarHBondContact O-N 3.43Å; E111-E115 PolarHBondContact O-N 2.73Å |
| 112 | K | 96.8 | Very high | 96.7 | Very high | 126 Ų | 126 | 94.7 Ų | 94.7 | 55% | 0.548 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 177.3 | -73 | 167.9 | -177.8 | 167.6 | 0 | 113.9 | Q108 L109 R114 G116 | Q108-K112 WeakPolarHBondContact O-CG 3.45Å; Q108-K112 PolarHBondContact O-N 3.44Å; Q108-K112 VanDerWaalsContact O-N 3.07Å; L109-K112 PolarHBondContact O-N 3.17Å; K112-R114 VanDerWaalsContact C-N 3.33Å; K112-G116 PolarHBondContact O-N 3.26Å |
| 113 | L | 95.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 93.3 Ų | 93.3 | 39% | 0.393 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.9 | -35 | 172.8 | -73.3 | 169.5 | 0 | 0 | 0 | 111.8 | L109 E111 R117 L162 | L109-L113 HydrophobicContact CG-CD1 4.24Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.95Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 3.49Å; L113-R117 VanDerWaalsContact O-CB 3.32Å; L113-R117 WeakPolarHBondContact O-CB 3.48Å; L113-R117 PolarHBondContact O-N 3.45Å; L113-L162 HydrophobicContact CD2-CD2 3.73Å |
| 114 | R | 95.8 | Very high | 96.4 | Very high | 159 Ų | 159 | 91.4 Ų | 91.4 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.3 | -49.9 | 173.1 | -169.6 | -174.5 | -57.4 | -166.3 | 0.2 | 111.2 | R110 E111 K112 G116 R117 D118 | R110-R114 PolarHBondContact O-N 3.1Å; R110-R114 VanDerWaalsContact O-N 3.14Å; E111-R114 CarbonylContact O-C 3.59Å; E111-R114 WeakPolarHBondContact O-CA 3.33Å; E111-R114 VanDerWaalsContact O-CB 3.26Å; E111-R114 WeakPolarHBondContact O-CB 3.2Å; E111-R114 PolarHBondContact O-N 3.43Å; K112-R114 VanDerWaalsContact C-N 3.33Å; R114-G116 VanDerWaalsContact C-N 3.3Å; R114-G116 PolarHBondContact O-N 3.07Å; R114-R117 WeakPolarHBondContact O-CB 3.3Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 VanDerWaalsContact O-CG 3.29Å; R114-D118 PolarHBondContact O-N 3.31Å |
| 115 | E | 96.9 | Very high | 96.2 | Very high | 120 Ų | 120 | 88.4 Ų | 88.4 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -53.4 | -47 | 174 | -66.3 | 179.1 | 140.6 | 0 | 0 | 111.6 | E111 D118 A119 | E111-E115 PolarHBondContact O-N 2.73Å; E115-D118 PolarHBondContact O-N 2.92Å; E115-A119 VanDerWaalsContact O-CB 3.28Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 2.92Å |
| 116 | G | 96.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 88.3 Ų | 88.3 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K112 R114 S120 | K112-G116 PolarHBondContact O-N 3.26Å; R114-G116 VanDerWaalsContact C-N 3.3Å; R114-G116 PolarHBondContact O-N 3.07Å; G116-S120 VanDerWaalsContact O-CB 3.3Å; G116-S120 WeakPolarHBondContact O-CB 3.34Å; G116-S120 PolarHBondContact O-N 3.08Å; G116-S120 PolarHBondContact O-OG 3.43Å |
| 117 | R | 96.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 86 Ų | 86 | 22% | 0.219 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 174.6 | -171.3 | -163.4 | -54.2 | 171.5 | -1.6 | 111.2 | L113 R114 S120 R121 V159 L162 | L113-R117 VanDerWaalsContact O-CB 3.32Å; L113-R117 WeakPolarHBondContact O-CB 3.48Å; L113-R117 PolarHBondContact O-N 3.45Å; R114-R117 WeakPolarHBondContact O-CB 3.3Å; R114-R117 PolarHBondContact O-N 2.85Å; R114-R117 VanDerWaalsContact O-N 3.11Å; R117-S120 WeakPolarHBondContact O-CB 3.07Å; R117-S120 PolarHBondContact O-N 2.93Å; R117-R121 PolarHBondContact O-N 3.47Å; R117-V159 HydrophobicContact CG-CG1 4.2Å; R117-L162 HydrophobicContact CB-CB 3.83Å; R117-L162 HydrophobicContact CG-CB 4.18Å; R117-L162 PolarHBondContact NE-O 2.99Å; R117-L162 PolarHBondContact NH2-O 3.2Å |
| 118 | D | 96.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 87 Ų | 87 | 31% | 0.31 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.6 | -41.8 | -177.6 | -66 | -27.7 | 0 | 0 | 0 | 111 | R114 E115 S120 R121 S122 | R114-D118 WeakPolarHBondContact O-CB 3.34Å; R114-D118 VanDerWaalsContact O-CG 3.29Å; R114-D118 PolarHBondContact O-N 3.31Å; E115-D118 PolarHBondContact O-N 2.92Å; D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 PolarHBondContact O-N 2.95Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.14Å; D118-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 IonicContact OD1-CZ 2.71Å; D118-R121 IonicContact OD1-NH1 3.79Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 2.72Å; D118-R121 PolarHBondContact OD1-NH2 3.29Å; D118-S122 PolarHBondContact O-N 2.95Å; D118-S122 PolarHBondContact O-OG 3.04Å |
| 119 | A | 97.1 | Very high | 95.1 | Very high | 63 Ų | 63 | 85.1 Ų | 85.1 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E115 R121 S122 L123 | E115-A119 VanDerWaalsContact O-CB 3.28Å; E115-A119 WeakPolarHBondContact O-CB 3.41Å; E115-A119 PolarHBondContact O-N 2.92Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.46Å; A119-S122 PolarHBondContact O-N 3.49Å; A119-L123 WeakPolarHBondContact O-CB 3.31Å; A119-L123 PolarHBondContact O-N 3.39Å |
| 120 | S | 96 | Very high | 94.7 | Very high | 14 Ų | 14 | 86 Ų | 86 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.3 | -32.6 | 174 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | G116 R117 D118 Y124 | G116-S120 VanDerWaalsContact O-CB 3.3Å; G116-S120 WeakPolarHBondContact O-CB 3.34Å; G116-S120 PolarHBondContact O-N 3.08Å; G116-S120 PolarHBondContact O-OG 3.43Å; R117-S120 WeakPolarHBondContact O-CB 3.07Å; R117-S120 PolarHBondContact O-N 2.93Å; D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 PolarHBondContact O-N 2.95Å; S120-Y124 WeakPolarHBondContact O-CB 3.48Å; S120-Y124 PolarHBondContact O-N 2.89Å |
| 121 | R | 96.1 | Very high | 94 | Very high | 92 Ų | 92 | 80 Ų | 80 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.8 | -48.2 | 174.5 | -163.4 | -167.5 | -56.9 | 101.3 | 11.8 | 111.2 | R117 D118 A119 L123 Y124 E125 V159 | R117-R121 PolarHBondContact O-N 3.47Å; D118-R121 WeakPolarHBondContact O-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.14Å; D118-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 IonicContact OD1-CZ 2.71Å; D118-R121 IonicContact OD1-NH1 3.79Å; D118-R121 PolarHBondContact OD1-NH1 3.18Å; D118-R121 IonicContact OD1-NH2 2.72Å; D118-R121 PolarHBondContact OD1-NH2 3.29Å; A119-R121 VanDerWaalsContact C-N 3.31Å; A119-R121 PolarHBondContact O-N 3.46Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 3.06Å; R121-Y124 WeakPolarHBondContact O-CB 3.35Å; R121-Y124 PolarHBondContact O-N 3.25Å; R121-Y124 VanDerWaalsContact O-N 3.1Å; R121-E125 WeakPolarHBondContact CD-OE1 3.23Å; R121-E125 WeakPolarHBondContact CG-OE1 3.45Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 3.36Å; R121-V159 HydrophobicContact CB-CG2 4.11Å |
| 122 | S | 96.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 78.9 Ų | 78.9 | 37% | 0.371 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 175.1 | -56.9 | 0 | 0 | 0 | 0 | 112.1 | D118 A119 E125 H126 | D118-S122 PolarHBondContact O-N 2.95Å; D118-S122 PolarHBondContact O-OG 3.04Å; A119-S122 PolarHBondContact O-N 3.49Å; S122-E125 PolarHBondContact O-N 3.41Å; S122-H126 WeakPolarHBondContact O-CB 3.25Å; S122-H126 PolarHBondContact O-CD2 2.91Å; S122-H126 VanDerWaalsContact O-CD2 3.22Å; S122-H126 PolarHBondContact O-N 3.46Å |
| 123 | L | 95.9 | Very high | 91.4 | Very high | 85 Ų | 85 | 79 Ų | 79 | 45% | 0.445 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 172.3 | 178.3 | 62 | 0 | 0 | 0 | 111.9 | A119 R121 H126 L127 A155 | A119-L123 WeakPolarHBondContact O-CB 3.31Å; A119-L123 PolarHBondContact O-N 3.39Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 3.06Å; L123-H126 PolarHBondContact O-N 3.43Å; L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CG-CD1 3.88Å; L123-L127 HydrophobicContact CG-CG 4.46Å; L123-L127 WeakPolarHBondContact O-CB 3.5Å; L123-L127 VanDerWaalsContact O-CG 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.49Å; L123-A155 HydrophobicContact CD2-CB 4.31Å; L123-A155 HydrophobicContact CG-CB 4.24Å |
| 124 | Y | 94.5 | Very high | 89.9 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 175.1 | 173.6 | -96 | 0 | 0 | 0 | 111.7 | S120 R121 H126 L127 Q128 C152 A155 Q156 | S120-Y124 WeakPolarHBondContact O-CB 3.48Å; S120-Y124 PolarHBondContact O-N 2.89Å; R121-Y124 WeakPolarHBondContact O-CB 3.35Å; R121-Y124 PolarHBondContact O-N 3.25Å; R121-Y124 VanDerWaalsContact O-N 3.1Å; Y124-H126 PolarHBondContact O-N 3.06Å; Y124-L127 PolarHBondContact O-N 2.84Å; Y124-Q128 VanDerWaalsContact CE1-OE1 3.32Å; Y124-Q128 VanDerWaalsContact O-CB 3.25Å; Y124-Q128 WeakPolarHBondContact O-CB 3.48Å; Y124-Q128 PolarHBondContact O-N 3.01Å; Y124-C152 HydrophobicContact CD2-CB 4.31Å; Y124-C152 WeakPolarHBondContact CD2-O 3.47Å; Y124-C152 HydrophobicContact CE2-CB 4.2Å; Y124-A155 HydrophobicContact CD2-CB 4.5Å; Y124-Q156 HydrophobicContact CD2-CB 3.78Å; Y124-Q156 HydrophobicContact CD2-CG 4.49Å; Y124-Q156 HydrophobicContact CE2-CB 3.77Å; Y124-Q156 HydrophobicContact CE2-CG 4.17Å |
| 125 | E | 93.3 | Very high | 88.2 | Confident | 99 Ų | 99 | 85.8 Ų | 85.8 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 178.8 | -71.3 | 167.4 | -161.5 | 0 | 0 | 112 | R121 S122 Q128 A129 | R121-E125 WeakPolarHBondContact CD-OE1 3.23Å; R121-E125 WeakPolarHBondContact CG-OE1 3.45Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 3.36Å; S122-E125 PolarHBondContact O-N 3.41Å; E125-Q128 PolarHBondContact O-N 3.48Å; E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å |
| 126 | H | 93.9 | Very high | 86.5 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 59% | 0.593 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.7 | -42.7 | 176 | -69.7 | -28 | 0 | 0 | 0 | 112.8 | S122 L123 Y124 A129 L130 | S122-H126 WeakPolarHBondContact O-CB 3.25Å; S122-H126 PolarHBondContact O-CD2 2.91Å; S122-H126 VanDerWaalsContact O-CD2 3.22Å; S122-H126 PolarHBondContact O-N 3.46Å; L123-H126 PolarHBondContact O-N 3.43Å; Y124-H126 PolarHBondContact O-N 3.06Å; H126-A129 PolarHBondContact O-N 2.9Å; H126-L130 WeakPolarHBondContact O-CG 2.97Å; H126-L130 PolarHBondContact O-N 3.1Å; H126-L130 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 91.6 | Very high | 84.9 | Confident | 30 Ų | 30 | 89 Ų | 89 | 16% | 0.157 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67 | -37.4 | 176.1 | -67.5 | 169.9 | 0 | 0 | 0 | 111.5 | L123 Y124 L130 L131 L148 C152 A155 | L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CG 4.05Å; L123-L127 HydrophobicContact CG-CD1 3.88Å; L123-L127 HydrophobicContact CG-CG 4.46Å; L123-L127 WeakPolarHBondContact O-CB 3.5Å; L123-L127 VanDerWaalsContact O-CG 3.25Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.49Å; Y124-L127 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 3.34Å; L127-L131 PolarHBondContact O-N 3.05Å; L127-L131 VanDerWaalsContact O-N 3.1Å; L127-L148 HydrophobicContact CD2-CD2 3.84Å; L127-C152 VanDerWaalsContact C-SG 3.56Å; L127-C152 WeakPolarHBondContact CB-SG 3.41Å; L127-A155 HydrophobicContact CD1-CB 4.4Å |
| 128 | Q | 90.2 | Very high | 83.4 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 174.8 | -171.4 | 176.2 | 29.7 | 0 | 0 | 112 | Y124 E125 L130 L131 | Y124-Q128 VanDerWaalsContact CE1-OE1 3.32Å; Y124-Q128 VanDerWaalsContact O-CB 3.25Å; Y124-Q128 WeakPolarHBondContact O-CB 3.48Å; Y124-Q128 PolarHBondContact O-N 3.01Å; E125-Q128 PolarHBondContact O-N 3.48Å; Q128-L130 VanDerWaalsContact C-N 3.32Å; Q128-L131 PolarHBondContact O-N 3.23Å |
| 129 | A | 89.8 | Confident | 82 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -31 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E125 H126 T132 | E125-A129 WeakPolarHBondContact O-CB 3.4Å; E125-A129 PolarHBondContact O-N 2.86Å; H126-A129 PolarHBondContact O-N 2.9Å; A129-T132 WeakPolarHBondContact O-CG2 3.49Å |
| 130 | L | 87.2 | Confident | 80.4 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.3 | -23.9 | 172.9 | -68.6 | 170.5 | 0 | 0 | 0 | 112.9 | H126 L127 Q128 T132 L148 | H126-L130 WeakPolarHBondContact O-CG 2.97Å; H126-L130 PolarHBondContact O-N 3.1Å; H126-L130 VanDerWaalsContact O-N 3.1Å; L127-L130 PolarHBondContact O-N 3.34Å; Q128-L130 VanDerWaalsContact C-N 3.32Å; L130-T132 PolarHBondContact O-N 3.14Å; L130-T132 VanDerWaalsContact O-N 3.11Å; L130-L148 HydrophobicContact CB-CD1 4.4Å; L130-L148 HydrophobicContact CB-CD2 4.17Å; L130-L148 HydrophobicContact CD1-CD2 4.2Å |
| 131 | L | 81.5 | Confident | 79.2 | Confident | 45 Ų | 45 | 101.9 Ų | 101.9 | 24% | 0.236 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 22.5 | 173.8 | -76 | 176.8 | 0 | 0 | 0 | 114.4 | L127 Q128 Q145 L148 A149 C152 | L127-L131 PolarHBondContact O-N 3.05Å; L127-L131 VanDerWaalsContact O-N 3.1Å; Q128-L131 PolarHBondContact O-N 3.23Å; L131-Q145 HydrophobicContact CD2-CG 4.03Å; L131-L148 HydrophobicContact CD2-CB 3.54Å; L131-L148 HydrophobicContact CG-CB 4.02Å; L131-A149 HydrophobicContact CD1-CB 4.42Å; L131-C152 HydrophobicContact CD1-CB 4.28Å; L131-C152 WeakPolarHBondContact CD1-SG 3.26Å |
| 132 | T | 72.9 | Confident | 78.4 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | trans | -48.3 | 131.7 | 173 | 34.3 | 0 | 0 | 0 | 0 | 111.7 | A129 L130 Y134 | A129-T132 WeakPolarHBondContact O-CG2 3.49Å; L130-T132 PolarHBondContact O-N 3.14Å; L130-T132 VanDerWaalsContact O-N 3.11Å; T132-Y134 PolarHBondContact O-N 3.22Å | ||
| 133 | P | 65.6 | Low | 77.7 | Confident | 128 Ų | 128 | 106.3 Ų | 106.3 | 83% | 0.831 | 55% | 0.552 | S | S | * | * | trans | -79.6 | 46.2 | -173.1 | 34.8 | -38.6 | 0 | 0 | 0 | 112.7 | ||||
| 134 | Y | 63.4 | Low | 77.1 | Confident | 198 Ų | 198 | 107 Ų | 107 | 78% | 0.776 | 56% | 0.555 | S | S | * | * | trans | -76.4 | 131.8 | 170.7 | -161.5 | -83.2 | 0 | 0 | 0 | 108.7 | T132 P136 | T132-Y134 PolarHBondContact O-N 3.22Å; Y134-P136 WeakPolarHBondContact O-CD 3.47Å; Y134-P136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | E | 61 | Low | 76.7 | Confident | 178 Ų | 178 | 108.1 Ų | 108.1 | 83% | 0.832 | 56% | 0.562 | S | S | * | * | trans | -57.3 | 112.7 | -175.4 | -65.7 | -172.5 | 130.4 | 0 | 0 | 111.1 | ||||
| 136 | P | 60.6 | Low | 76.4 | Confident | 67 Ų | 67 | 109.6 Ų | 109.6 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -76 | 132.1 | -178.9 | -13.3 | 29.5 | 0 | 0 | 0 | 110.3 | Y134 | Y134-P136 WeakPolarHBondContact O-CD 3.47Å; Y134-P136 VanDerWaalsContact O-N 3.08Å |
| 137 | D | 62.7 | Low | 76.3 | Confident | 146 Ų | 146 | 109.6 Ų | 109.6 | 78% | 0.781 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 147.4 | 172.3 | -122.1 | -37.4 | 0 | 0 | 0 | 111 | ||
| 138 | K | 66.1 | Low | 76.2 | Confident | 181 Ų | 181 | 110.4 Ų | 110.4 | 79% | 0.787 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 143.9 | -147.4 | -71.5 | 160.6 | -175.8 | 162 | 0 | 115.1 | Q140 | K138-Q140 VanDerWaalsContact C-N 3.27Å; K138-Q140 PolarHBondContact O-N 3.15Å |
| 139 | S | 65.8 | Low | 76.2 | Confident | 86 Ų | 86 | 107 Ų | 107 | 60% | 0.601 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.5 | -54.4 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 117.2 | G141 Q142 | S139-G141 PolarHBondContact O-N 2.68Å; S139-Q142 VanDerWaalsContact O-CB 3.28Å; S139-Q142 WeakPolarHBondContact O-CB 3.49Å; S139-Q142 PolarHBondContact O-N 3.32Å |
| 140 | Q | 64.1 | Low | 76.4 | Confident | 169 Ų | 169 | 108.5 Ų | 108.5 | 79% | 0.79 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.1 | -25.3 | -166.9 | -166.9 | 171 | 3.3 | 0 | 0 | 113.9 | K138 Q142 | K138-Q140 VanDerWaalsContact C-N 3.27Å; K138-Q140 PolarHBondContact O-N 3.15Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å |
| 141 | G | 70.1 | Confident | 76.8 | Confident | 27 Ų | 27 | 104 Ų | 104 | 28% | 0.278 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -77.1 | -13.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S139 Q145 | S139-G141 PolarHBondContact O-N 2.68Å; G141-Q145 WeakPolarHBondContact O-CB 3.35Å; G141-Q145 PolarHBondContact O-N 3.02Å |
| 142 | Q | 78.4 | Confident | 77.3 | Confident | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -80.4 | -45.4 | -166 | -159.8 | 164.8 | -6.5 | 0 | 0 | 112.1 | S139 Q140 L144 Q145 E146 | S139-Q142 VanDerWaalsContact O-CB 3.28Å; S139-Q142 WeakPolarHBondContact O-CB 3.49Å; S139-Q142 PolarHBondContact O-N 3.32Å; Q140-Q142 VanDerWaalsContact C-N 3.3Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.1Å; Q142-Q145 PolarHBondContact O-N 2.98Å; Q142-Q145 VanDerWaalsContact O-N 3.14Å; Q142-E146 PolarHBondContact O-N 3.04Å |
| 143 | D | 83.7 | Confident | 78.4 | Confident | 112 Ų | 112 | 104.6 Ų | 104.6 | 60% | 0.599 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.5 | -40.2 | 172.5 | -60.4 | 16 | 0 | 0 | 0 | 111.5 | E146 Q147 | D143-E146 PolarHBondContact O-N 3.21Å; D143-Q147 WeakPolarHBondContact O-CG 3.39Å; D143-Q147 PolarHBondContact O-N 3.36Å |
| 144 | L | 83.4 | Confident | 79.8 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 175.9 | -85.1 | 162 | 0 | 0 | 0 | 112.2 | Q142 Q147 L148 | Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 3.1Å; L144-Q147 PolarHBondContact O-N 3.48Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 2.91Å |
| 145 | Q | 85.4 | Confident | 81.3 | Confident | 75 Ų | 75 | 93.8 Ų | 93.8 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 175.5 | -169.2 | 176.5 | 19.5 | 0 | 0 | 111.6 | L131 G141 Q142 L148 A149 | L131-Q145 HydrophobicContact CD2-CG 4.03Å; G141-Q145 WeakPolarHBondContact O-CB 3.35Å; G141-Q145 PolarHBondContact O-N 3.02Å; Q142-Q145 PolarHBondContact O-N 2.98Å; Q142-Q145 VanDerWaalsContact O-N 3.14Å; Q145-L148 PolarHBondContact O-N 2.69Å; Q145-A149 WeakPolarHBondContact O-CB 3.4Å; Q145-A149 PolarHBondContact O-N 2.93Å |
| 146 | E | 87.8 | Confident | 82.9 | Confident | 130 Ų | 130 | 89.5 Ų | 89.5 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.1 | -41.3 | 173.9 | -176 | 158.8 | -151.6 | 0 | 0 | 111.8 | Q142 D143 A149 E150 | Q142-E146 PolarHBondContact O-N 3.04Å; D143-E146 PolarHBondContact O-N 3.21Å; E146-A149 PolarHBondContact O-N 3.43Å; E146-E150 WeakPolarHBondContact O-CB 3.23Å; E146-E150 PolarHBondContact O-N 2.94Å |
| 147 | Q | 90 | Very high | 84.6 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 59% | 0.593 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 173.2 | -73.7 | 175.5 | 4.1 | 0 | 0 | 112.8 | D143 L144 E150 G151 | D143-Q147 WeakPolarHBondContact O-CG 3.39Å; D143-Q147 PolarHBondContact O-N 3.36Å; L144-Q147 PolarHBondContact O-N 3.48Å; Q147-E150 PolarHBondContact O-N 2.7Å; Q147-G151 PolarHBondContact O-N 2.84Å |
| 148 | L | 90.2 | Very high | 86.1 | Confident | 47 Ų | 47 | 87 Ų | 87 | 25% | 0.246 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 173.9 | -77.3 | 166.8 | 0 | 0 | 0 | 112 | L127 L130 L131 L144 Q145 G151 C152 | L127-L148 HydrophobicContact CD2-CD2 3.84Å; L130-L148 HydrophobicContact CB-CD1 4.4Å; L130-L148 HydrophobicContact CB-CD2 4.17Å; L130-L148 HydrophobicContact CD1-CD2 4.2Å; L131-L148 HydrophobicContact CD2-CB 3.54Å; L131-L148 HydrophobicContact CG-CB 4.02Å; L144-L148 WeakPolarHBondContact O-CB 3.41Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 2.91Å; Q145-L148 PolarHBondContact O-N 2.69Å; L148-G151 PolarHBondContact O-N 3.27Å; L148-C152 PolarHBondContact O-N 3.39Å; L148-C152 PolarHBondContact O-SG 3.37Å |
| 149 | A | 90.6 | Very high | 87.4 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 26% | 0.264 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L131 Q145 E146 C152 R153 | L131-A149 HydrophobicContact CD1-CB 4.42Å; Q145-A149 WeakPolarHBondContact O-CB 3.4Å; Q145-A149 PolarHBondContact O-N 2.93Å; E146-A149 PolarHBondContact O-N 3.43Å; A149-C152 PolarHBondContact O-N 3.24Å; A149-R153 WeakPolarHBondContact O-CG 3.29Å; A149-R153 PolarHBondContact O-N 3.34Å |
| 150 | E | 93.8 | Very high | 88.7 | Confident | 97 Ų | 97 | 81.5 Ų | 81.5 | 45% | 0.453 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 172.4 | -173.9 | 158.7 | -131.1 | 0 | 0 | 112.1 | E146 Q147 C152 R153 L154 | E146-E150 WeakPolarHBondContact O-CB 3.23Å; E146-E150 PolarHBondContact O-N 2.94Å; Q147-E150 PolarHBondContact O-N 2.7Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.47Å; E150-R153 WeakPolarHBondContact O-CB 3.39Å; E150-R153 PolarHBondContact O-N 2.93Å; E150-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 IonicContact OE1-NH2 2.73Å; E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.38Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 2.91Å |
| 151 | G | 94.5 | Very high | 90 | Very high | 20 Ų | 20 | 80.5 Ų | 80.5 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.1 | -42.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q147 L148 L154 A155 | Q147-G151 PolarHBondContact O-N 2.84Å; L148-G151 PolarHBondContact O-N 3.27Å; G151-L154 PolarHBondContact O-N 3.41Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 2.9Å |
| 152 | C | 92.9 | Very high | 91 | Very high | 11 Ų | 11 | 81.1 Ų | 81.1 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 173.9 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | Y124 L127 L131 L148 A149 E150 L154 A155 Q156 | Y124-C152 HydrophobicContact CD2-CB 4.31Å; Y124-C152 WeakPolarHBondContact CD2-O 3.47Å; Y124-C152 HydrophobicContact CE2-CB 4.2Å; L127-C152 VanDerWaalsContact C-SG 3.56Å; L127-C152 WeakPolarHBondContact CB-SG 3.41Å; L131-C152 HydrophobicContact CD1-CB 4.28Å; L131-C152 WeakPolarHBondContact CD1-SG 3.26Å; L148-C152 PolarHBondContact O-N 3.39Å; L148-C152 PolarHBondContact O-SG 3.37Å; A149-C152 PolarHBondContact O-N 3.24Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.47Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 2.88Å; C152-A155 PolarHBondContact O-N 3.28Å; C152-Q156 VanDerWaalsContact O-CB 3.32Å; C152-Q156 WeakPolarHBondContact O-CB 3.41Å; C152-Q156 PolarHBondContact O-N 3.09Å |
| 153 | R | 95.1 | Very high | 91.5 | Very high | 138 Ų | 138 | 77.5 Ų | 77.5 | 52% | 0.521 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 176.2 | -68.3 | -177.2 | -58.6 | -137.3 | 4.2 | 111.2 | A149 E150 H157 | A149-R153 WeakPolarHBondContact O-CG 3.29Å; A149-R153 PolarHBondContact O-N 3.34Å; E150-R153 WeakPolarHBondContact O-CB 3.39Å; E150-R153 PolarHBondContact O-N 2.93Å; E150-R153 VanDerWaalsContact O-N 3.11Å; E150-R153 IonicContact OE1-NH2 2.73Å; R153-H157 VanDerWaalsContact O-CB 3.24Å; R153-H157 WeakPolarHBondContact O-CB 3.42Å; R153-H157 PolarHBondContact O-N 3.15Å |
| 154 | L | 96.1 | Very high | 91.2 | Very high | 97 Ų | 97 | 76.3 Ų | 76.3 | 51% | 0.508 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.9 | -44.6 | 179.5 | -68.6 | 172.6 | 0 | 0 | 0 | 112.4 | E150 G151 C152 H157 L158 | E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 HydrophobicContact CG-CG 4.38Å; E150-L154 WeakPolarHBondContact O-CG 3.42Å; E150-L154 PolarHBondContact O-N 2.91Å; G151-L154 PolarHBondContact O-N 3.41Å; C152-L154 VanDerWaalsContact C-N 3.29Å; C152-L154 PolarHBondContact O-N 2.88Å; L154-H157 PolarHBondContact O-N 2.95Å; L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.72Å |
| 155 | A | 95.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 79.8 Ų | 79.8 | 2% | 0.017 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L123 Y124 L127 G151 C152 H157 L158 V159 | L123-A155 HydrophobicContact CD2-CB 4.31Å; L123-A155 HydrophobicContact CG-CB 4.24Å; Y124-A155 HydrophobicContact CD2-CB 4.5Å; L127-A155 HydrophobicContact CD1-CB 4.4Å; G151-A155 WeakPolarHBondContact O-CB 3.46Å; G151-A155 PolarHBondContact O-N 2.9Å; C152-A155 PolarHBondContact O-N 3.28Å; A155-H157 PolarHBondContact O-N 2.71Å; A155-L158 WeakPolarHBondContact O-CB 3.36Å; A155-L158 PolarHBondContact O-N 2.89Å; A155-V159 WeakPolarHBondContact O-CG2 3.32Å; A155-V159 PolarHBondContact O-N 3.34Å |
| 156 | Q | 94.1 | Very high | 88.9 | Confident | 89 Ų | 89 | 82.6 Ų | 82.6 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.5 | -167.7 | 172.9 | 19.5 | 0 | 0 | 112.2 | Y124 C152 L158 V159 Q160 | Y124-Q156 HydrophobicContact CD2-CB 3.78Å; Y124-Q156 HydrophobicContact CD2-CG 4.49Å; Y124-Q156 HydrophobicContact CE2-CB 3.77Å; Y124-Q156 HydrophobicContact CE2-CG 4.17Å; C152-Q156 VanDerWaalsContact O-CB 3.32Å; C152-Q156 WeakPolarHBondContact O-CB 3.41Å; C152-Q156 PolarHBondContact O-N 3.09Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; Q156-V159 PolarHBondContact O-N 2.95Å; Q156-Q160 WeakPolarHBondContact O-CG 3.3Å; Q156-Q160 PolarHBondContact O-N 3.29Å |
| 157 | H | 95.2 | Very high | 86.7 | Confident | 81 Ų | 81 | 82.3 Ų | 82.3 | 38% | 0.375 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.2 | -31.5 | 175.4 | 173.4 | -126.9 | 0 | 0 | 0 | 112.6 | R153 L154 A155 Q160 K161 | R153-H157 VanDerWaalsContact O-CB 3.24Å; R153-H157 WeakPolarHBondContact O-CB 3.42Å; R153-H157 PolarHBondContact O-N 3.15Å; L154-H157 PolarHBondContact O-N 2.95Å; A155-H157 PolarHBondContact O-N 2.71Å; H157-Q160 PolarHBondContact O-N 2.91Å; H157-K161 VanDerWaalsContact NE2-CE 3.25Å; H157-K161 WeakPolarHBondContact NE2-CE 3.41Å; H157-K161 WeakPolarHBondContact O-CB 3.28Å; H157-K161 WeakPolarHBondContact O-CG 3.44Å; H157-K161 PolarHBondContact O-N 3.33Å |
| 158 | L | 94.5 | Very high | 84.6 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 42% | 0.419 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 169.5 | -74.8 | 171.6 | 0 | 0 | 0 | 111.9 | L154 A155 Q156 Q160 K161 L162 | L154-L158 WeakPolarHBondContact O-CG 3.48Å; L154-L158 PolarHBondContact O-N 2.72Å; A155-L158 WeakPolarHBondContact O-CB 3.36Å; A155-L158 PolarHBondContact O-N 2.89Å; Q156-L158 VanDerWaalsContact C-N 3.34Å; L158-Q160 VanDerWaalsContact C-N 3.29Å; L158-Q160 PolarHBondContact O-N 3.42Å; L158-K161 PolarHBondContact O-N 2.86Å; L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.11Å |
| 159 | V | 94.4 | Very high | 82.4 | Confident | 29 Ų | 29 | 88.4 Ų | 88.4 | 18% | 0.176 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 172.9 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | R117 R121 A155 Q156 L162 S163 | R117-V159 HydrophobicContact CG-CG1 4.2Å; R121-V159 HydrophobicContact CB-CG2 4.11Å; A155-V159 WeakPolarHBondContact O-CG2 3.32Å; A155-V159 PolarHBondContact O-N 3.34Å; Q156-V159 PolarHBondContact O-N 2.95Å; V159-L162 PolarHBondContact O-N 3.14Å; V159-S163 PolarHBondContact O-N 3.23Å; V159-S163 PolarHBondContact O-OG 2.9Å |
| 160 | Q | 92 | Very high | 80.4 | Confident | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 176.5 | -72.3 | 170.5 | -16.3 | 0 | 0 | 112.8 | Q156 H157 L158 L162 S163 | Q156-Q160 WeakPolarHBondContact O-CG 3.3Å; Q156-Q160 PolarHBondContact O-N 3.29Å; H157-Q160 PolarHBondContact O-N 2.91Å; L158-Q160 VanDerWaalsContact C-N 3.29Å; L158-Q160 PolarHBondContact O-N 3.42Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.07Å; Q160-S163 WeakPolarHBondContact O-CB 3.41Å; Q160-S163 PolarHBondContact O-N 3.18Å |
| 161 | K | 92.6 | Very high | 78.1 | Confident | 147 Ų | 147 | 98.6 Ų | 98.6 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.9 | -17.2 | 178.1 | -79.9 | -171.6 | 163.4 | -173.1 | 0 | 115.1 | H157 L158 | H157-K161 VanDerWaalsContact NE2-CE 3.25Å; H157-K161 WeakPolarHBondContact NE2-CE 3.41Å; H157-K161 WeakPolarHBondContact O-CB 3.28Å; H157-K161 WeakPolarHBondContact O-CG 3.44Å; H157-K161 PolarHBondContact O-N 3.33Å; L158-K161 PolarHBondContact O-N 2.86Å |
| 162 | L | 91.4 | Very high | 76 | Confident | 41 Ų | 41 | 106.3 Ų | 106.3 | 22% | 0.215 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -103.2 | -6.1 | 177.4 | -63.9 | 173.2 | 0 | 0 | 0 | 112.5 | L113 R117 L158 V159 Q160 | L113-L162 HydrophobicContact CD2-CD2 3.73Å; R117-L162 HydrophobicContact CB-CB 3.83Å; R117-L162 HydrophobicContact CG-CB 4.18Å; R117-L162 PolarHBondContact NE-O 2.99Å; R117-L162 PolarHBondContact NH2-O 3.2Å; L158-L162 WeakPolarHBondContact O-CB 3.38Å; L158-L162 VanDerWaalsContact O-CG 3.26Å; L158-L162 WeakPolarHBondContact O-CG 3.4Å; L158-L162 PolarHBondContact O-N 3.11Å; V159-L162 PolarHBondContact O-N 3.14Å; Q160-L162 VanDerWaalsContact C-N 3.3Å; Q160-L162 PolarHBondContact O-N 3.07Å |
| 163 | S | 88.3 | Confident | 73.5 | Confident | 50 Ų | 50 | 113.1 Ų | 113.1 | 35% | 0.35 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -58 | 161.5 | 160.2 | -73.7 | 0 | 0 | 0 | 0 | 110.8 | V159 Q160 | V159-S163 PolarHBondContact O-N 3.23Å; V159-S163 PolarHBondContact O-OG 2.9Å; Q160-S163 WeakPolarHBondContact O-CB 3.41Å; Q160-S163 PolarHBondContact O-N 3.18Å |
| 164 | P | 76.8 | Confident | 71.2 | Confident | 87 Ų | 87 | 112.8 Ų | 112.8 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.7 | 158.4 | -9.6 | 27.9 | 0 | 0 | 0 | 107.7 | N166 | P164-N166 PolarHBondContact O-N 3.49Š|
| 165 | E | 67.5 | Low | 68.5 | Low | 173 Ų | 173 | 116.6 Ų | 116.6 | 81% | 0.808 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 135.8 | 159.5 | -159.1 | 128.9 | -147.8 | 0 | 0 | 106.4 | D167 | E165-D167 PolarHBondContact O-N 3.2Š|
| 166 | N | 52.9 | Low | 65.8 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | trans | -81.4 | 69.6 | -177.2 | -114.6 | 65.4 | 0 | 0 | 0 | 108.5 | P164 E168 | P164-N166 PolarHBondContact O-N 3.49Å; N166-E168 PolarHBondContact O-N 2.78Å | ||
| 167 | D | 41.4 | Very low | 63.3 | Low | 123 Ų | 123 | 127.2 Ų | 127.2 | 66% | 0.658 | 65% | 0.65 | S | S | * | * | trans | -63.4 | 108.1 | 158.6 | -62.7 | -48.9 | 0 | 0 | 0 | 106.4 | E165 D169 | E165-D167 PolarHBondContact O-N 3.2Å; D167-D169 PolarHBondContact O-N 3.45Å | ||
| 168 | E | 46 | Very low | 60.7 | Low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | trans | -77.7 | 55.6 | 170.9 | -70.2 | -171.5 | 165.9 | 0 | 0 | 109.8 | N166 | N166-E168 PolarHBondContact O-N 2.78Š| ||
| 169 | D | 45.4 | Very low | 58.1 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | trans | -77.3 | 121.9 | 164.5 | -75.5 | -34.1 | 0 | 0 | 0 | 107.9 | D167 D171 | D167-D169 PolarHBondContact O-N 3.45Å; D169-D171 VanDerWaalsContact C-N 3.31Å; D169-D171 PolarHBondContact O-N 2.97Å | ||
| 170 | E | 47.7 | Very low | 55.3 | Low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -76.1 | 77.2 | -176.9 | -68.7 | -172.9 | 144.7 | 0 | 0 | 111.6 | E172 | E170-E172 PolarHBondContact O-N 2.77Š| ||
| 171 | D | 45.5 | Very low | 53.1 | Low | 155 Ų | 155 | 145.1 Ų | 145.1 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -65.8 | 77.3 | 164.3 | -82.3 | -19.4 | 0 | 0 | 0 | 110.1 | D169 D173 | D169-D171 VanDerWaalsContact C-N 3.31Å; D169-D171 PolarHBondContact O-N 2.97Å; D171-D173 PolarHBondContact O-N 3.32Å | ||
| 172 | E | 50.8 | Low | 50.4 | Low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -69.8 | 66.8 | 166.6 | -88.5 | -144.8 | 167.8 | 0 | 0 | 111.4 | E170 | E170-E172 PolarHBondContact O-N 2.77Š| ||
| 173 | D | 40.9 | Very low | 47.6 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -121.9 | 51.8 | 168.8 | -115.8 | -28.1 | 0 | 0 | 0 | 110.8 | D171 Q175 | D171-D173 PolarHBondContact O-N 3.32Å; D173-Q175 PolarHBondContact O-N 2.94Å | ||
| 174 | V | 46.2 | Very low | 44.8 | Very low | 131 Ų | 131 | 155.2 Ų | 155.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 94.2 | 175 | -180 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 175 | Q | 40.3 | Very low | 42.8 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | -149.7 | 135.7 | 124.6 | -59.1 | -160.6 | 5.8 | 0 | 0 | 107.2 | D173 | D173-Q175 PolarHBondContact O-N 2.94Š| |||
| 176 | V | 38.4 | Very low | 41 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | cis | -142.7 | 147.4 | 40 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 177 | E | 41.6 | Very low | 40.2 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -75.3 | 133.7 | 167.4 | -63.7 | -170.6 | 134.9 | 0 | 0 | 111.8 | ||||
| 178 | E | 40.7 | Very low | 39.7 | Very low | 194 Ų | 194 | 152.5 Ų | 152.5 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 168.8 | 147.8 | 137.6 | -91.4 | -159.3 | 110.9 | 0 | 0 | 109.3 | ||||
| 179 | A | 39 | Very low | 39.2 | Very low | 83 Ų | 83 | 155.8 Ų | 155.8 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | cis | -166.3 | 94.6 | -23.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 180 | E | 36.9 | Very low | 38.5 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | -147 | 78.4 | 167.4 | -149.7 | 166.3 | -145.9 | 0 | 0 | 113.5 | ||||
| 181 | K | 43.7 | Very low | 37.5 | Very low | 211 Ų | 211 | 157.7 Ų | 157.7 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -138 | 61 | 170.1 | -89.6 | -168.5 | 177.1 | 173.6 | 0 | 112.3 | ||||
| 182 | V | 36.9 | Very low | 36.7 | Very low | 126 Ų | 126 | 159.3 Ų | 159.3 | 76% | 0.764 | 84% | 0.836 | S | S | * | * | trans | -140.1 | 117.2 | 163.2 | -174.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 183 | L | 33.6 | Very low | 36 | Very low | 163 Ų | 163 | 160.7 Ų | 160.7 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | 150 | 56.3 | 157.4 | -85.5 | 169.5 | 0 | 0 | 0 | 107.8 | ||||
| 184 | E | 28.8 | Very low | 35.5 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | 72.7 | 100.9 | 83.7 | -168.2 | 164.8 | -146.2 | 0 | 0 | 112.5 | S186 | E184-S186 PolarHBondContact O-N 2.87Š| |||
| 185 | S | 35.4 | Very low | 34.8 | Very low | 118 Ų | 118 | 160.3 Ų | 160.3 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -69.7 | 104.2 | -177.2 | 41.8 | 0 | 0 | 0 | 0 | 112.8 | A187 | S185-A187 PolarHBondContact O-N 3.48Š| ||
| 186 | S | 29 | Very low | 34.5 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -86.4 | 84.5 | 171.3 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | E184 | E184-S186 PolarHBondContact O-N 2.87Š| ||
| 187 | A | 35 | Very low | 34.5 | Very low | 90 Ų | 90 | 163.9 Ų | 163.9 | 74% | 0.744 | 84% | 0.844 | S | S | * | * | trans | -98.4 | 119.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S185 | S185-A187 PolarHBondContact O-N 3.48Š| ||
| 188 | P | 32.2 | Very low | 34 | Very low | 133 Ų | 133 | 164 Ų | 164 | 86% | 0.864 | 84% | 0.844 | S | S | * | * | trans | -86.6 | 120.1 | 173.3 | 28.1 | -22.7 | 0 | 0 | 0 | 111.1 | ||||
| 189 | R | 35.5 | Very low | 33.5 | Very low | 244 Ų | 244 | 161.2 Ų | 161.2 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -122.1 | 114.9 | 171 | -129.2 | -168.5 | -172.7 | -157.5 | 4.7 | 108.6 | ||||
| 190 | E | 29.8 | Very low | 33.8 | Very low | 180 Ų | 180 | 162 Ų | 162 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | 174.4 | 160.6 | 131.9 | -96.2 | -150.4 | 128.1 | 0 | 0 | 112.4 | ||||
| 191 | M | 26.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 161.1 Ų | 161.1 | 86% | 0.862 | 84% | 0.835 | S | S | * | * | trans | 65.1 | 139.9 | -177.3 | -59.8 | -162.9 | 176 | 0 | 0 | 115.1 | ||||
| 192 | Q | 29.8 | Very low | 32.9 | Very low | 189 Ų | 189 | 158 Ų | 158 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | cis | -123.6 | 176.2 | 9.4 | -68.4 | -179.5 | -4.6 | 0 | 0 | 112.7 | ||||
| 193 | K | 34.4 | Very low | 33.1 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -136.2 | 108.8 | -178.8 | -173.8 | -172.5 | -176.9 | -173.3 | 0 | 111.1 | ||||
| 194 | A | 31.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 157.2 Ų | 157.2 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -154.6 | 115.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 195 | E | 32.6 | Very low | 33.4 | Very low | 182 Ų | 182 | 157.8 Ų | 157.8 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | 79.8 | 103.1 | 64.4 | -165.8 | 163.5 | -118.4 | 0 | 0 | 112.2 | |||||
| 196 | E | 32 | Very low | 33.2 | Very low | 177 Ų | 177 | 160.7 Ų | 160.7 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | trans | 34.8 | 126.8 | 164.2 | -62.5 | -171.3 | 152.1 | 0 | 0 | 121.7 | ||||
| 197 | K | 38.7 | Very low | 33.4 | Very low | 209 Ų | 209 | 160 Ų | 160 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | -156.2 | 147.5 | 103.3 | -108.8 | 164.8 | -170.5 | 176.8 | 0 | 114.3 | |||||
| 198 | E | 32.5 | Very low | 33.2 | Very low | 183 Ų | 183 | 160 Ų | 160 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -70.8 | 148.6 | 168.2 | -57.5 | 169.2 | 103.5 | 0 | 0 | 111.4 | ||||
| 199 | V | 29.6 | Very low | 33.2 | Very low | 137 Ų | 137 | 160.8 Ų | 160.8 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | -165 | 137.9 | 110.6 | 144.1 | 0 | 0 | 0 | 0 | 108 | |||||
| 200 | P | 45.3 | Very low | 32.9 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | -95.8 | -166.1 | -176.7 | 40.3 | -37.8 | 0 | 0 | 0 | 113 | ||||
| 201 | E | 31.3 | Very low | 33.2 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | 78.5 | 137.6 | 179 | -59.6 | 167.2 | -178.9 | 0 | 0 | 112.8 | ||||
| 202 | D | 30.1 | Very low | 33.3 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | cis | -148.9 | 169 | 27.5 | -146.2 | -17.5 | 0 | 0 | 0 | 115.1 | ||||
| 203 | S | 41.5 | Very low | 33.5 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 66.5 | 120.7 | 164.9 | 54 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 204 | L | 35.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -94.3 | 159.5 | 160.4 | -66.9 | 161.8 | 0 | 0 | 0 | 110.7 | ||||
| 205 | E | 33 | Very low | 34 | Very low | 173 Ų | 173 | 153.3 Ų | 153.3 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | 166.1 | 116.4 | 140.5 | -144.9 | 80 | 173.1 | 0 | 0 | 104.6 | ||||
| 206 | E | 31.7 | Very low | 33.9 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | cis | 67.4 | 150.2 | 43.9 | -138.2 | -178.4 | 154.3 | 0 | 0 | 115.5 | ||||
| 207 | C | 33.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | 64.6 | 109.2 | -176.7 | -56.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 208 | A | 30.4 | Very low | 33.6 | Very low | 89 Ų | 89 | 145 Ų | 145 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | cis | 86 | 130.5 | 28.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 209 | I | 31.3 | Very low | 33.5 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 88.4 | 109 | 144.7 | -72.9 | 165.4 | 0 | 0 | 0 | 121 | ||||
| 210 | T | 31 | Very low | 33.7 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 78 | 135.9 | 143.5 | 54.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 211 | Y | 34.2 | Very low | 33 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 13.3 | 137.8 | 136 | -78.2 | -96.2 | 0 | 0 | 0 | 120.9 | ||||
| 212 | S | 29.6 | Very low | 33.4 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | -159.9 | 143.5 | 125.6 | -85.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 213 | N | 33.9 | Very low | 33.9 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -84.7 | 152.6 | 163.2 | -83.4 | -28.9 | 0 | 0 | 0 | 110.1 | ||||
| 214 | S | 35.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -146.3 | 114.7 | 161.1 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | H | 40.1 | Very low | 33.2 | Very low | 204 Ų | 204 | 146 Ų | 146 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | -87.3 | 141.6 | 166.2 | -98.9 | -72.8 | 0 | 0 | 0 | 111.1 | ||||
| 216 | G | 30.3 | Very low | 33 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -147.2 | 157.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 217 | S | 36.9 | Very low | 32.9 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -139.2 | 168.9 | -162.6 | -167.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 218 | Y | 29 | Very low | 32.7 | Very low | 212 Ų | 212 | 148.3 Ų | 148.3 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | 72.6 | 145.8 | 179.5 | -71 | -102.7 | 0 | 0 | 0 | 117.5 | ||||
| 219 | D | 29.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 68% | 0.684 | 79% | 0.792 | S | S | * | * | cis | -169.5 | 163.2 | -23.8 | -179.7 | 39.4 | 0 | 0 | 0 | 110.8 | ||||
| 220 | S | 33.6 | Very low | 32.8 | Very low | 75 Ų | 75 | 148 Ų | 148 | 52% | 0.524 | 78% | 0.778 | S | S | . | * | trans | 80 | 116.9 | 147 | -95 | 0 | 0 | 0 | 0 | 123 | ||||
| 221 | N | 32.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 84.9 | 130 | 141.2 | -60.8 | -49.9 | 0 | 0 | 0 | 122.4 | ||||
| 222 | Q | 39.1 | Very low | 32.7 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 172.1 | 162.6 | -63 | -170.7 | 2.7 | 0 | 0 | 111.9 | H224 | Q222-H224 PolarHBondContact OE1-CE1 3.42Å; Q222-H224 PolarHBondContact OE1-ND1 3.1Å | ||
| 223 | P | 40.4 | Very low | 32.9 | Very low | 128 Ų | 128 | 153.1 Ų | 153.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | -138 | 150.9 | 109 | 37.8 | -28.6 | 0 | 0 | 0 | 115.3 | |||||
| 224 | H | 33.1 | Very low | 32.8 | Very low | 156 Ų | 156 | 153 Ų | 153 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -71.7 | 149.4 | 169.9 | -49.7 | -59.8 | 0 | 0 | 0 | 113 | Q222 | Q222-H224 PolarHBondContact OE1-CE1 3.42Å; Q222-H224 PolarHBondContact OE1-ND1 3.1Å | ||
| 225 | R | 29.7 | Very low | 32.9 | Very low | 254 Ų | 254 | 154.8 Ų | 154.8 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | -166.6 | 161 | 127.8 | -106.7 | 161.8 | -171.3 | -159 | 0.8 | 113.1 | |||||
| 226 | K | 28.2 | Very low | 32.6 | Very low | 200 Ų | 200 | 152 Ų | 152 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -94.4 | 158.3 | -172.5 | -54.9 | 170.5 | 178.4 | 179.6 | 0 | 111.3 | ||||
| 227 | T | 29.3 | Very low | 32.7 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | -175.7 | 132.1 | 123.2 | -74.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 228 | K | 29.6 | Very low | 32.8 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -39 | 150.3 | 167.5 | 174.1 | -174.9 | -179.6 | -177.7 | 0 | 119.3 | T230 | K228-T230 HydrophobicContact CD-CG2 4.33Å; K228-T230 HydrophobicContact CG-CG2 4.05Å | ||
| 229 | I | 31.9 | Very low | 32.6 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -174.4 | 99.6 | 139.1 | -94.2 | 148.7 | 0 | 0 | 0 | 106.4 | ||||
| 230 | T | 31.5 | Very low | 32.8 | Very low | 78 Ų | 78 | 152.5 Ų | 152.5 | 48% | 0.479 | 78% | 0.779 | S | S | . | * | 63.4 | 120.8 | 84.8 | 57.7 | 0 | 0 | 0 | 0 | 116.5 | K228 | K228-T230 HydrophobicContact CD-CG2 4.33Å; K228-T230 HydrophobicContact CG-CG2 4.05Å | |||
| 231 | F | 30.5 | Very low | 32.7 | Very low | 207 Ų | 207 | 156.5 Ų | 156.5 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -136.9 | 151.9 | 144.4 | -142.8 | -90.2 | 0 | 0 | 0 | 109 | ||||
| 232 | E | 31.7 | Very low | 32.4 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -99.9 | 150.7 | -163.9 | -124.5 | 80.5 | 145.5 | 0 | 0 | 112.8 | ||||
| 233 | E | 35.6 | Very low | 32 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -112.9 | 120.3 | 166.4 | -175.9 | 173.8 | -143.6 | 0 | 0 | 108 | ||||
| 234 | D | 31.6 | Very low | 31.6 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -119.7 | 155.6 | -179 | -167.4 | 20 | 0 | 0 | 0 | 111.3 | ||||
| 235 | K | 36.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | -126.7 | 129.4 | -150.4 | -176.3 | -165.8 | 175.6 | -157.4 | 0 | 111.9 | D237 | K235-D237 IonicContact NZ-OD2 3.67Š| ||
| 236 | V | 35.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -136.4 | 136.1 | 172.2 | -86.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 237 | D | 31.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 65% | 0.647 | 79% | 0.785 | S | S | * | * | trans | -102.3 | 141.1 | -170.9 | -79.8 | -69.9 | 0 | 0 | 0 | 113.4 | K235 | K235-D237 IonicContact NZ-OD2 3.67Š| ||
| 238 | S | 38 | Very low | 32 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 33.1 | 129 | 141.4 | -55.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 239 | T | 26.6 | Very low | 32 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -145.7 | 153.8 | 148.3 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 240 | L | 32.2 | Very low | 31.9 | Very low | 152 Ų | 152 | 145 Ų | 145 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -96.8 | 174.9 | -165.1 | -166.1 | 74.1 | 0 | 0 | 0 | 113.7 | ||||
| 241 | I | 31.3 | Very low | 31.9 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | 91.7 | 132.4 | 163.8 | -50.4 | 159.3 | 0 | 0 | 0 | 114.2 | ||||
| 242 | G | 26.7 | Very low | 31.8 | Very low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | cis | 160.8 | 167.3 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 243 | S | 31.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | 71.3 | 133.6 | 167.5 | -55.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 244 | S | 31.3 | Very low | 31.6 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 148.7 | 158.4 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 245 | S | 34.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -140.8 | 110.4 | -165 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 246 | H | 29.4 | Very low | 31.7 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 65% | 0.648 | 78% | 0.783 | S | S | * | * | 45.4 | 119.2 | 127.9 | -174.1 | -78.7 | 0 | 0 | 0 | 121.3 | E248 | H246-E248 IonicContact CE1-OE1 3.94Å; H246-E248 IonicContact CE1-OE2 3.99Å; H246-E248 PolarHBondContact CE1-OE2 3.37Å; H246-E248 IonicContact ND1-OE2 3.91Å; H246-E248 IonicContact NE2-OE1 3.16Å; H246-E248 IonicContact NE2-OE2 3.65Å | |||
| 247 | V | 29.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -140.4 | 140.4 | 137.7 | 174.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 248 | E | 34.8 | Very low | 32 | Very low | 117 Ų | 117 | 140 Ų | 140 | 55% | 0.547 | 78% | 0.782 | S | S | . | * | trans | -74.6 | 170.6 | 178.5 | -52.9 | 101.8 | 136.2 | 0 | 0 | 114 | H246 | H246-E248 IonicContact CE1-OE1 3.94Å; H246-E248 IonicContact CE1-OE2 3.99Å; H246-E248 PolarHBondContact CE1-OE2 3.37Å; H246-E248 IonicContact ND1-OE2 3.91Å; H246-E248 IonicContact NE2-OE1 3.16Å; H246-E248 IonicContact NE2-OE2 3.65Å | ||
| 249 | W | 29.9 | Very low | 31.6 | Very low | 258 Ų | 258 | 142.1 Ų | 142.1 | 98% | 0.977 | 79% | 0.785 | S | S | * | * | -148.3 | 144.2 | 109.7 | -105.9 | 31.9 | 0 | 0 | 0 | 108.9 | |||||
| 250 | E | 30.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -111 | -166.6 | -176.5 | -61.4 | -167.3 | 123.1 | 0 | 0 | 111.9 | ||||
| 251 | D | 29.5 | Very low | 31.7 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | 84.5 | 125.8 | 165 | -141.5 | 45.7 | 0 | 0 | 0 | 116.1 | ||||
| 252 | A | 28.4 | Very low | 31.8 | Very low | 72 Ų | 72 | 140 Ų | 140 | 60% | 0.595 | 77% | 0.772 | S | S | * | * | cis | -146 | 159.2 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 253 | V | 33 | Very low | 32.1 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -116.5 | 131 | 166.5 | 173.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 254 | H | 31 | Very low | 32.6 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -133.2 | 98.5 | 167.8 | -92 | -53.3 | 0 | 0 | 0 | 113.7 | ||||
| 255 | I | 31.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 148.2 Ų | 148.2 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | 59.6 | 112.3 | 131.2 | -58.7 | 172.8 | 0 | 0 | 0 | 118 | ||||
| 256 | I | 40.3 | Very low | 33.2 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 155.2 | 154.9 | -25.8 | 177.9 | 0 | 0 | 0 | 108.9 | ||||
| 257 | P | 43.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | -140.8 | 169.9 | 109 | 38.4 | -26.5 | 0 | 0 | 0 | 114.9 | |||||
| 258 | E | 29.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -77.4 | 169.8 | -180 | -58.1 | 133.5 | 125.1 | 0 | 0 | 113.8 | ||||
| 259 | N | 28.6 | Very low | 33.4 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -179.7 | 131.1 | 145.7 | -80.5 | -29.2 | 0 | 0 | 0 | 105.6 | ||||
| 260 | E | 29.8 | Very low | 33.3 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | 109.2 | 143.4 | 32.2 | -171 | 173 | -111.7 | 0 | 0 | 111.2 | ||||
| 261 | S | 31.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | 76.6 | 110.2 | 174.1 | 60.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 262 | D | 33.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | 63.3 | 129.1 | 113.9 | -49.6 | -6.8 | 0 | 0 | 0 | 123.9 | |||||
| 263 | D | 34.1 | Very low | 34.3 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | 29.8 | 136.1 | 129 | -54.6 | -16.6 | 0 | 0 | 0 | 122.3 | |||||
| 264 | E | 40.4 | Very low | 34.7 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | -169 | 162.9 | 102.7 | -98.3 | -68.6 | -166.8 | 0 | 0 | 112 | |||||
| 265 | E | 38.1 | Very low | 34.7 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -81.1 | 172.8 | 171.8 | -62.2 | -170.9 | 149.8 | 0 | 0 | 112.5 | ||||
| 266 | E | 40.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -162.3 | 154.1 | 132.6 | -105.9 | -66.3 | -174.7 | 0 | 0 | 110.6 | ||||
| 267 | E | 33.6 | Very low | 34.4 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | trans | -80.2 | -171.1 | 173.6 | -74.9 | -149.4 | 155.4 | 0 | 0 | 110 | K269 | E267-K269 IonicContact OE2-NZ 2.79Å; E267-K269 PolarHBondContact OE2-NZ 2.93Å | ||
| 268 | E | 33.1 | Very low | 33.7 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | cis | -154.7 | 153.1 | 27.5 | -102 | -154.1 | 119.4 | 0 | 0 | 112.3 | ||||
| 269 | K | 31.5 | Very low | 33.7 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | trans | 39.7 | 130.5 | 136.3 | -41.3 | -83.2 | 147.4 | 34.3 | 0 | 116.8 | E267 | E267-K269 IonicContact OE2-NZ 2.79Å; E267-K269 PolarHBondContact OE2-NZ 2.93Å | ||
| 270 | G | 28.9 | Very low | 33.9 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | 156.3 | -177.3 | 38.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 271 | P | 42.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -126.9 | -164.4 | -134.2 | 36.6 | -20.1 | 0 | 0 | 0 | 115.2 | ||||
| 272 | V | 27.4 | Very low | 33.8 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 107.2 | 113 | 159.3 | -173.7 | 0 | 0 | 0 | 0 | 116.1 | P274 | V272-P274 HydrophobicContact CG1-CG 4.1Š| ||
| 273 | S | 39.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -117.4 | 143.6 | 148.7 | 166.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 274 | P | 41.6 | Very low | 33.6 | Very low | 95 Ų | 95 | 147 Ų | 147 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | trans | -144.7 | 123.3 | 155.4 | 32.4 | -12.2 | 0 | 0 | 0 | 116.1 | V272 | V272-P274 HydrophobicContact CG1-CG 4.1Š| ||
| 275 | R | 29.6 | Very low | 33.2 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | 71 | 144.5 | 130.8 | -64.5 | -178.3 | 169.7 | -176.9 | -4.5 | 122.1 | ||||
| 276 | N | 34.2 | Very low | 33.1 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -73.3 | 162.4 | 157.2 | -62.3 | -70.6 | 0 | 0 | 0 | 112 | ||||
| 277 | L | 32.5 | Very low | 32.6 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | -179.4 | 120.9 | 126.5 | -97.4 | 165.8 | 0 | 0 | 0 | 113.4 | |||||
| 278 | Q | 28.3 | Very low | 32.4 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | 73 | 143.6 | 128.3 | -165.6 | 160.8 | -24.8 | 0 | 0 | 123 | |||||
| 279 | E | 29.5 | Very low | 32.3 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | 63.7 | 144.3 | 167.3 | -79.3 | 150 | -146.4 | 0 | 0 | 117.8 | ||||
| 280 | S | 32.1 | Very low | 32.3 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | cis | -147.6 | -160.3 | -2.4 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 281 | E | 30.2 | Very low | 32.2 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -156.6 | -138.7 | 11.2 | -153 | 80.1 | -98.8 | 0 | 0 | 110.4 | ||||
| 282 | E | 28.7 | Very low | 31.9 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -85.3 | -178.4 | 176.2 | -61 | 163.4 | 142 | 0 | 0 | 112.1 | ||||
| 283 | E | 31.5 | Very low | 31.9 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | cis | -148.9 | -171.1 | 13.7 | -145 | -175.5 | 175.4 | 0 | 0 | 106.5 | ||||
| 284 | E | 32.8 | Very low | 31.5 | Very low | 130 Ų | 130 | 153.8 Ų | 153.8 | 61% | 0.607 | 77% | 0.772 | S | S | * | * | cis | -157.8 | 165.7 | 4.8 | -174.1 | -114.3 | -125.5 | 0 | 0 | 108.1 | P286 | E284-P286 WeakPolarHBondContact OE2-CD 3.4Å; E284-P286 WeakPolarHBondContact OE2-CG 3.48Å | ||
| 285 | V | 31.3 | Very low | 31.2 | Very low | 118 Ų | 118 | 155.2 Ų | 155.2 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | -143.1 | 129.9 | 167 | 172.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 286 | P | 37.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -82.5 | 123.5 | 165.3 | -11.4 | 30.3 | 0 | 0 | 0 | 110.9 | E284 | E284-P286 WeakPolarHBondContact OE2-CD 3.4Å; E284-P286 WeakPolarHBondContact OE2-CG 3.48Å | ||
| 287 | Q | 29.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -89.5 | -170.8 | 170 | -63.1 | -166.4 | -91.3 | 0 | 0 | 111.8 | ||||
| 288 | E | 29.6 | Very low | 30.7 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | 81.5 | 143.6 | 170.5 | -51.9 | -172.5 | 177.4 | 0 | 0 | 115.8 | ||||
| 289 | S | 31 | Very low | 31 | Very low | 114 Ų | 114 | 148 Ų | 148 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | cis | -130.2 | 145.8 | 10.4 | 48.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 290 | W | 31.5 | Very low | 31 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -88 | 154.1 | 158 | -70.7 | 82.6 | 0 | 0 | 0 | 109.1 | ||||
| 291 | D | 26.1 | Very low | 31.1 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -140.4 | 136.5 | 153.5 | -161.4 | 4.7 | 0 | 0 | 0 | 110.2 | ||||
| 292 | E | 36.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 147 Ų | 147 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -127.7 | 79.3 | -169.1 | 176.1 | 85.4 | -129.1 | 0 | 0 | 108.1 | ||||
| 293 | G | 28.1 | Very low | 31.1 | Very low | 73 Ų | 73 | 146.1 Ų | 146.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -102.2 | 92.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S295 | G293-S295 PolarHBondContact O-N 3.3Š| ||
| 294 | Y | 31 | Very low | 31.2 | Very low | 209 Ų | 209 | 146.3 Ų | 146.3 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | trans | -63.6 | 126.9 | 167.7 | -87.7 | -108.8 | 0 | 0 | 0 | 111.7 | ||||
| 295 | S | 35.3 | Very low | 30.9 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -154.7 | 121.2 | 155.2 | -87.5 | 0 | 0 | 0 | 0 | 113.4 | G293 | G293-S295 PolarHBondContact O-N 3.3Š| ||
| 296 | T | 28.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | -88.5 | 166.4 | 171.8 | -4.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 297 | L | 25.8 | Very low | 30.3 | Very low | 159 Ų | 159 | 149 Ų | 149 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 69.5 | 138.5 | 170.3 | -95.4 | 71.9 | 0 | 0 | 0 | 114.8 | ||||
| 298 | S | 30.3 | Very low | 30.2 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | cis | -151.1 | 162.9 | 20.4 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 299 | I | 34.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 132.2 | 163.3 | -63.1 | 164.4 | 0 | 0 | 0 | 109.5 | ||||
| 300 | P | 30.1 | Very low | 29.9 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -88.2 | 118.8 | 154.6 | 32.2 | -26.4 | 0 | 0 | 0 | 110 | ||||
| 301 | P | 34.9 | Very low | 29.7 | Very low | 101 Ų | 101 | 143 Ų | 143 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | trans | -81.1 | 178.3 | 170 | 35.6 | -35.3 | 0 | 0 | 0 | 111.3 | ||||
| 302 | E | 29 | Very low | 29.8 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | 73.8 | 141.6 | -179.2 | -51.6 | 176.2 | -166.5 | 0 | 0 | 113.4 | ||||
| 303 | M | 29.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | cis | -139.3 | 118.3 | 18.9 | -170.3 | -178.8 | -59.4 | 0 | 0 | 112.1 | ||||
| 304 | L | 33.6 | Very low | 29.5 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 96% | 0.958 | 77% | 0.773 | S | S | * | * | trans | -89.9 | 111.5 | 166.3 | -80.3 | 171 | 0 | 0 | 0 | 109.6 | ||||
| 305 | A | 26.6 | Very low | 29.3 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | -159 | 148.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 306 | S | 27.9 | Very low | 29 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 69.3 | 119 | 178.4 | -150.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 307 | Y | 27.8 | Very low | 29 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | cis | -149.3 | 136.8 | -0.1 | -149.5 | -106.3 | 0 | 0 | 0 | 110.1 | ||||
| 308 | Q | 27.9 | Very low | 29.3 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -103.7 | 177.5 | 171.6 | -88.5 | -168.6 | -12.5 | 0 | 0 | 110.9 | ||||
| 309 | S | 28.3 | Very low | 29.5 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | 89.3 | 130.1 | 178.5 | -148.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 310 | Y | 27.1 | Very low | 29.4 | Very low | 230 Ų | 230 | 148 Ų | 148 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | cis | -104.2 | 132.2 | 30.2 | -93.2 | -108.8 | 0 | 0 | 0 | 117.3 | ||||
| 311 | S | 26.9 | Very low | 29.5 | Very low | 95 Ų | 95 | 151 Ų | 151 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -77.3 | 166.1 | 143.8 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 312 | S | 27.9 | Very low | 29.1 | Very low | 94 Ų | 94 | 150.9 Ų | 150.9 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | -178.6 | 171.7 | 51.3 | -168.4 | 0 | 0 | 0 | 0 | 106 | |||||
| 313 | T | 30.5 | Very low | 29 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | cis | -154.6 | 141.8 | 15.5 | -32.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 314 | F | 26.4 | Very low | 29.2 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | -159.5 | 164.3 | 81.1 | -91.8 | -81.4 | 0 | 0 | 0 | 111.5 | |||||
| 315 | H | 26.5 | Very low | 29.4 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -96.5 | 140.5 | -163.9 | -69.1 | -90.6 | 0 | 0 | 0 | 115.3 | ||||
| 316 | S | 29.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 42.5 | 111.7 | 132.9 | -149.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 317 | L | 28.3 | Very low | 29.7 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -132.3 | 124.1 | 141.9 | -174.1 | 58.1 | 0 | 0 | 0 | 108.7 | ||||
| 318 | E | 32.8 | Very low | 29.8 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -86.2 | 162.4 | 170.3 | -169 | 167.9 | -175.4 | 0 | 0 | 108.9 | ||||
| 319 | E | 34.1 | Very low | 29.7 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 64.5 | 102.3 | -173.9 | -53.8 | -167.4 | 114.8 | 0 | 0 | 117.1 | ||||
| 320 | Q | 31.4 | Very low | 29.8 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -162.4 | 100.1 | 110.1 | -113 | -178.8 | -3.4 | 0 | 0 | 112.9 | V322 | Q320-V322 HydrophobicContact CB-CG2 4.17Å; Q320-V322 HydrophobicContact CG-CG2 4.29Å; Q320-V322 PolarHBondContact O-N 2.99Å | |||
| 321 | Q | 32.6 | Very low | 29.9 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -78.4 | 103.6 | 154.9 | -70.5 | -175.8 | 7.8 | 0 | 0 | 108.2 | C323 | Q321-C323 PolarHBondContact O-N 2.69Š| ||
| 322 | V | 26.4 | Very low | 30 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | trans | -85.3 | 69.9 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | Q320 M324 | Q320-V322 HydrophobicContact CB-CG2 4.17Å; Q320-V322 HydrophobicContact CG-CG2 4.29Å; Q320-V322 PolarHBondContact O-N 2.99Å; V322-M324 HydrophobicContact CG1-CG 3.88Å; V322-M324 PolarHBondContact O-N 2.97Å | ||
| 323 | C | 27.5 | Very low | 29.9 | Very low | 110 Ų | 110 | 158.8 Ų | 158.8 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -80.8 | 88 | 162.9 | -71.1 | 0 | 0 | 0 | 0 | 109 | Q321 A325 | Q321-C323 PolarHBondContact O-N 2.69Å; C323-A325 PolarHBondContact O-N 2.92Å | ||
| 324 | M | 33 | Very low | 29.9 | Very low | 178 Ų | 178 | 160 Ų | 160 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -81.4 | 100.5 | 169.1 | -71.3 | -159.4 | -59.4 | 0 | 0 | 110.4 | V322 | V322-M324 HydrophobicContact CG1-CG 3.88Å; V322-M324 PolarHBondContact O-N 2.97Å | ||
| 325 | A | 36.9 | Very low | 30 | Very low | 83 Ų | 83 | 158 Ų | 158 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | -97.9 | 147.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | C323 | C323-A325 PolarHBondContact O-N 2.92Š| ||
| 326 | V | 29.3 | Very low | 30.1 | Very low | 148 Ų | 148 | 157 Ų | 157 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 106.2 | 160.8 | 179 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 327 | D | 32.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 159.5 Ų | 159.5 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 159 | 171.9 | -73.8 | -78.4 | 0 | 0 | 0 | 112.1 | ||||
| 328 | I | 29.9 | Very low | 30.6 | Very low | 181 Ų | 181 | 159.2 Ų | 159.2 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | trans | 179.9 | 125.2 | 132.8 | -90.8 | 149.2 | 0 | 0 | 0 | 107.2 | ||||
| 329 | G | 25.8 | Very low | 30.5 | Very low | 62 Ų | 62 | 158.3 Ų | 158.3 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | cis | -168.1 | 151.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 330 | R | 30.4 | Very low | 30.4 | Very low | 257 Ų | 257 | 156.1 Ų | 156.1 | 97% | 0.97 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 146.1 | 173.7 | -64.4 | 176.9 | -178.7 | -100.8 | 0.8 | 110.6 | ||||
| 331 | H | 29.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 156.4 Ų | 156.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -122.2 | 122.5 | 160.2 | 61.1 | -91.1 | 0 | 0 | 0 | 111.4 | ||||
| 332 | R | 27.9 | Very low | 30.3 | Very low | 208 Ų | 208 | 156.6 Ų | 156.6 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 42.7 | 122.7 | 161.9 | -57.3 | -175 | -172.2 | -74.3 | -5.9 | 119.8 | D334 | R332-D334 WeakPolarHBondContact CD-OD2 3.48Å; R332-D334 IonicContact NH1-OD2 3.88Å; R332-D334 PolarHBondContact NH1-OD2 3.4Å; R332-D334 VanDerWaalsContact NH1-OD2 3.16Å | ||
| 333 | W | 26.2 | Very low | 30.4 | Very low | 255 Ų | 255 | 156.2 Ų | 156.2 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | trans | -127.4 | 80.1 | 151.1 | -139.1 | 70.2 | 0 | 0 | 0 | 108.3 | Q335 | W333-Q335 PolarHBondContact O-N 2.98Š| ||
| 334 | D | 30.2 | Very low | 30.4 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | trans | -95.7 | 79.4 | -173.6 | -74.7 | -43.7 | 0 | 0 | 0 | 111.4 | R332 | R332-D334 WeakPolarHBondContact CD-OD2 3.48Å; R332-D334 IonicContact NH1-OD2 3.88Å; R332-D334 PolarHBondContact NH1-OD2 3.4Å; R332-D334 VanDerWaalsContact NH1-OD2 3.16Å | ||
| 335 | Q | 29.3 | Very low | 30.3 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 13.1 | 113.2 | 144.5 | -172.5 | 178.6 | 117.1 | 0 | 0 | 118.8 | W333 | W333-Q335 PolarHBondContact O-N 2.98Š| ||
| 336 | V | 28.4 | Very low | 30.1 | Very low | 144 Ų | 144 | 154.6 Ų | 154.6 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 143 | 155.4 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 337 | K | 33.1 | Very low | 30.3 | Very low | 165 Ų | 165 | 159.1 Ų | 159.1 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 150 | -179 | -68.7 | 176.6 | 175.3 | 176.1 | 0 | 111.6 | ||||
| 338 | K | 35.1 | Very low | 30.1 | Very low | 165 Ų | 165 | 160.3 Ų | 160.3 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 62.7 | 170.4 | 157.8 | -78.9 | 169 | 141.4 | -79.6 | 0 | 113.3 | ||||
| 339 | E | 30.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -138.3 | -159.5 | 10.7 | -150.9 | 124.7 | -124.2 | 0 | 0 | 111 | ||||
| 340 | D | 32.3 | Very low | 30.5 | Very low | 132 Ų | 132 | 163 Ų | 163 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -83 | -169.6 | -167.6 | -55.3 | -82.6 | 0 | 0 | 0 | 115.6 | ||||
| 341 | Q | 32.2 | Very low | 30.4 | Very low | 180 Ų | 180 | 157 Ų | 157 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | 88.3 | 111.1 | 173.2 | -61.3 | 159.5 | 8.9 | 0 | 0 | 115 | ||||
| 342 | E | 29.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | 87.3 | 97.7 | 55.6 | -175.7 | -180 | -152.8 | 0 | 0 | 112.7 | |||||
| 343 | A | 29.6 | Very low | 30.5 | Very low | 91 Ų | 91 | 152.7 Ų | 152.7 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -164.7 | 109.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 344 | T | 28.2 | Very low | 30.7 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | trans | 37.2 | 100.8 | 135.5 | -45.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 345 | G | 29.3 | Very low | 30.8 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -97.7 | 159 | 137.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 346 | P | 33.7 | Very low | 30.9 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -109.5 | 120.9 | 161.4 | 32.2 | -22.4 | 0 | 0 | 0 | 111.6 | ||||
| 347 | R | 33.1 | Very low | 31.2 | Very low | 242 Ų | 242 | 150 Ų | 150 | 91% | 0.913 | 76% | 0.761 | S | S | * | * | trans | -95 | 137.7 | 160.9 | -75.3 | 179.7 | 169 | -169.7 | -3.3 | 109.4 | ||||
| 348 | L | 28.6 | Very low | 31.5 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -144.8 | 118.8 | 148 | -69 | -179.4 | 0 | 0 | 0 | 105 | ||||
| 349 | S | 32.2 | Very low | 31.4 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | 72.6 | 138.9 | 62.3 | 86.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 350 | R | 31.9 | Very low | 31.4 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | cis | -173 | 156.8 | 11.4 | 116.1 | -165.4 | -157.1 | 162.1 | 19.6 | 112.4 | ||||
| 351 | E | 28.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | trans | 55.3 | 131.1 | 154.5 | -78.6 | 176.2 | 154.5 | 0 | 0 | 124.8 | ||||
| 352 | L | 28 | Very low | 31.3 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | 88.8 | 133 | 129.3 | -73.2 | 167.8 | 0 | 0 | 0 | 124.4 | |||||
| 353 | L | 31.6 | Very low | 31.2 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 87.3 | 145.4 | 140.9 | -83.9 | 164.1 | 0 | 0 | 0 | 122.6 | ||||
| 354 | D | 30.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -66.1 | 148.7 | 173.6 | -53.7 | -88.7 | 0 | 0 | 0 | 113.1 | ||||
| 355 | E | 30.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | -172.6 | 153.4 | 108 | -104.6 | -156.9 | 152.9 | 0 | 0 | 113.1 | |||||
| 356 | K | 31.5 | Very low | 31.5 | Very low | 155 Ų | 155 | 152.2 Ų | 152.2 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | trans | 55.9 | 107.5 | 151.3 | -68.4 | -177.7 | 176.7 | 77.2 | 0 | 120.3 | ||||
| 357 | E | 34.4 | Very low | 31.2 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 149.4 | 134.5 | -178.7 | 173.3 | -116.2 | 0 | 0 | 111.1 | ||||
| 358 | P | 40.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | -138.5 | 145.5 | 126.5 | 37.2 | -27 | 0 | 0 | 0 | 114.1 | |||||
| 359 | E | 33.2 | Very low | 30.8 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -67.5 | 154.4 | 162 | -53.5 | 173.7 | 114.7 | 0 | 0 | 111.5 | ||||
| 360 | V | 30.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | -175.3 | 156.5 | 128.1 | 141.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 361 | L | 30.1 | Very low | 30.5 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -92 | -180 | -163.1 | -64 | 164.4 | 0 | 0 | 0 | 115.2 | ||||
| 362 | Q | 30.8 | Very low | 30.6 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 101.5 | 104.1 | 161.5 | -58.7 | 178.4 | -6.5 | 0 | 0 | 114.7 | ||||
| 363 | D | 28.2 | Very low | 30.5 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | 85.7 | 119.6 | 41.7 | -169.1 | 34.4 | 0 | 0 | 0 | 113.7 | ||||
| 364 | S | 31.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -158.6 | 125 | 166 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 365 | L | 31.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -91.6 | 130.6 | 179.7 | -75.7 | 156.4 | 0 | 0 | 0 | 111.8 | ||||
| 366 | D | 29.4 | Very low | 30.1 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | -173 | 162.8 | 120.8 | -114.8 | 9.5 | 0 | 0 | 0 | 109 | |||||
| 367 | R | 29.3 | Very low | 30.1 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 163 | 152.9 | -32.2 | -172.9 | -156.2 | -62.7 | -111.9 | -8.7 | 105.9 | ||||
| 368 | C | 26.4 | Very low | 29.8 | Very low | 90 Ų | 90 | 147 Ų | 147 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | trans | 73.6 | 104 | 163.9 | -72.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 369 | Y | 26.6 | Very low | 29.6 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | 39.6 | 128.3 | 126.7 | -53.9 | -71.8 | 0 | 0 | 0 | 121.7 | |||||
| 370 | S | 30.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | -155.6 | 127.7 | 127.8 | -83.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 371 | T | 27.5 | Very low | 29.3 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 125.7 | 168.6 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 372 | P | 29.4 | Very low | 29.2 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 129.8 | 162.7 | 5.5 | 14.1 | 0 | 0 | 0 | 110 | ||
| 373 | S | 27.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 152.6 | 170.5 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 374 | G | 29 | Very low | 29.5 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -138.9 | 135.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 375 | Y | 24.9 | Very low | 29.1 | Very low | 221 Ų | 221 | 146.5 Ų | 146.5 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -93.2 | 175.1 | -178.2 | -102.3 | -107.3 | 0 | 0 | 0 | 112 | ||||
| 376 | L | 30.2 | Very low | 28.9 | Very low | 143 Ų | 143 | 144 Ų | 144 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 78.2 | 137.5 | -173.6 | -71.6 | 67.8 | 0 | 0 | 0 | 113.3 | ||||
| 377 | E | 30.7 | Very low | 28.6 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | -150.4 | 145.1 | 1.1 | -134.1 | 161.4 | -166.1 | 0 | 0 | 111.4 | ||||
| 378 | L | 29.1 | Very low | 28.4 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -112.7 | 121.6 | 173.8 | -78.4 | 171.9 | 0 | 0 | 0 | 109.8 | D380 | L378-D380 PolarHBondContact O-N 3.49Š| ||
| 379 | P | 35.3 | Very low | 28.6 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -85.2 | 93.9 | 167 | 32.5 | -29.9 | 0 | 0 | 0 | 110 | ||||
| 380 | D | 27.1 | Very low | 28.6 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -77.9 | 128.2 | 172.1 | -165.3 | 11 | 0 | 0 | 0 | 110.2 | L378 | L378-D380 PolarHBondContact O-N 3.49Š| ||
| 381 | L | 30.8 | Very low | 28.7 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -153.7 | 120.7 | 177.2 | -128.3 | 132.1 | 0 | 0 | 0 | 111.1 | ||||
| 382 | G | 28.7 | Very low | 28.7 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | -80.3 | 150.4 | -155.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 383 | Q | 28.8 | Very low | 28.8 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -51.1 | 143.5 | 144.7 | -70.8 | -70.2 | -21.6 | 0 | 0 | 109.3 | ||||
| 384 | P | 35.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | -149.8 | 149.9 | 65.9 | 38.7 | -20.1 | 0 | 0 | 0 | 117.4 | |||||
| 385 | Y | 23.9 | Very low | 29.3 | Very low | 228 Ų | 228 | 150.5 Ų | 150.5 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -153.7 | 158.1 | 140.5 | -118.6 | -79.9 | 0 | 0 | 0 | 110.9 | ||||
| 386 | S | 27.2 | Very low | 29.5 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -121.4 | 166 | -176.4 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 387 | S | 23.4 | Very low | 29.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 92.5 | 156.3 | 164 | 81.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 388 | A | 25.2 | Very low | 29.2 | Very low | 91 Ų | 91 | 144.2 Ų | 144.2 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | 78 | 82.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 389 | V | 30.1 | Very low | 29.4 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 20.6 | 126 | 131.1 | -161.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 390 | Y | 26.6 | Very low | 29.1 | Very low | 232 Ų | 232 | 142.5 Ų | 142.5 | 91% | 0.91 | 79% | 0.791 | S | S | * | * | -160.5 | 135.9 | 126.5 | -109.1 | -72.1 | 0 | 0 | 0 | 110.7 | |||||
| 391 | S | 31.1 | Very low | 29.5 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -71 | 138 | 172.5 | -50.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 392 | L | 29.4 | Very low | 29.3 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | trans | -105.5 | 103.1 | 169.9 | -173.2 | 65.6 | 0 | 0 | 0 | 109.3 | ||||
| 393 | E | 30.7 | Very low | 29.7 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -62.1 | 136.2 | 176.6 | -172.4 | 177.1 | -143.2 | 0 | 0 | 111.5 | Q395 | E393-Q395 PolarHBondContact O-N 3.36Š| ||
| 394 | E | 36.5 | Very low | 29.8 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 119.1 | -177.9 | -68 | -164.9 | 127.6 | 0 | 0 | 111.9 | Y396 | E394-Y396 HydrophobicContact CB-CD2 4.2Å; E394-Y396 HydrophobicContact CB-CE2 4.5Å; E394-Y396 WeakPolarHBondContact OE1-CE2 3.26Å; E394-Y396 WeakPolarHBondContact OE2-CE2 3.33Å | ||
| 395 | Q | 30 | Very low | 29.7 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -108.5 | 76.8 | 168.4 | -66.3 | -166.7 | 5.4 | 0 | 0 | 111 | E393 L397 | E393-Q395 PolarHBondContact O-N 3.36Å; Q395-L397 VanDerWaalsContact C-N 3.27Å; Q395-L397 PolarHBondContact O-N 2.98Å | ||
| 396 | Y | 29 | Very low | 30.4 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -64.9 | 81.5 | 168.9 | -89.4 | -78 | 0 | 0 | 0 | 111.5 | E394 G398 | E394-Y396 HydrophobicContact CB-CD2 4.2Å; E394-Y396 HydrophobicContact CB-CE2 4.5Å; E394-Y396 WeakPolarHBondContact OE1-CE2 3.26Å; E394-Y396 WeakPolarHBondContact OE2-CE2 3.33Å; Y396-G398 PolarHBondContact O-N 3.28Å; Y396-G398 VanDerWaalsContact O-N 3.07Å | ||
| 397 | L | 28.7 | Very low | 31 | Very low | 157 Ų | 157 | 148.7 Ų | 148.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -78.9 | 92.3 | 175.1 | -165.6 | 72.3 | 0 | 0 | 0 | 110.6 | Q395 L399 | Q395-L397 VanDerWaalsContact C-N 3.27Å; Q395-L397 PolarHBondContact O-N 2.98Å; L397-L399 PolarHBondContact O-N 2.93Å | ||
| 398 | G | 27.3 | Very low | 31.6 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -57.5 | 116.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y396 A400 | Y396-G398 PolarHBondContact O-N 3.28Å; Y396-G398 VanDerWaalsContact O-N 3.07Å; G398-A400 PolarHBondContact O-N 3.25Å | ||
| 399 | L | 32.2 | Very low | 32.1 | Very low | 156 Ų | 156 | 154.4 Ų | 154.4 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -79.4 | 82.3 | 174.2 | -70.2 | 173.5 | 0 | 0 | 0 | 111 | L397 L401 | L397-L399 PolarHBondContact O-N 2.93Å; L399-L401 PolarHBondContact O-N 3.43Å | ||
| 400 | A | 29.5 | Very low | 32.2 | Very low | 99 Ų | 99 | 156.6 Ų | 156.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -69.6 | 113.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | G398 D402 | G398-A400 PolarHBondContact O-N 3.25Å; A400-D402 PolarHBondContact O-N 2.94Å | ||
| 401 | L | 34.1 | Very low | 32.7 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -82.6 | 111.5 | 171.7 | -70.9 | 170.3 | 0 | 0 | 0 | 109.2 | L399 V403 | L399-L401 PolarHBondContact O-N 3.43Å; L401-V403 PolarHBondContact O-N 3.47Å | ||
| 402 | D | 27.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 157 Ų | 157 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 115.3 | 176.4 | -168.9 | 20.1 | 0 | 0 | 0 | 109.8 | A400 | A400-D402 PolarHBondContact O-N 2.94Š| ||
| 403 | V | 37.1 | Very low | 33.1 | Very low | 108 Ų | 108 | 157.5 Ų | 157.5 | 66% | 0.655 | 79% | 0.787 | S | S | * | * | trans | -122.6 | 123.3 | -173.6 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | L401 | L401-V403 PolarHBondContact O-N 3.47Š| ||
| 404 | D | 31.9 | Very low | 33.2 | Very low | 138 Ų | 138 | 158.2 Ų | 158.2 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 52.3 | 82.6 | 164.5 | -63.9 | -22.4 | 0 | 0 | 0 | 118.7 | I406 | D404-I406 PolarHBondContact O-N 3.42Š| ||
| 405 | R | 31.8 | Very low | 33.1 | Very low | 248 Ų | 248 | 156.7 Ų | 156.7 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -92.8 | 81.3 | 153.9 | -158.8 | 172.6 | -170.7 | -168.9 | 1.5 | 111.8 | ||||
| 406 | I | 39.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -58.6 | 135.1 | 169.6 | -64.7 | 176 | 0 | 0 | 0 | 109.7 | D404 | D404-I406 PolarHBondContact O-N 3.42Š| ||
| 407 | K | 38.6 | Very low | 33.3 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 74% | 0.735 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 138.4 | 175.5 | -67.2 | -171.8 | 175.4 | -166.8 | 0 | 111.8 | ||||
| 408 | K | 36.7 | Very low | 34.5 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -132.2 | 121.5 | 148.8 | -75.5 | -169.7 | 173.9 | -175.1 | 0 | 108 | ||||
| 409 | D | 36.3 | Very low | 35.3 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -98.5 | 178.8 | 169 | -56.2 | -62.2 | 0 | 0 | 0 | 108.6 | ||||
| 410 | Q | 32.4 | Very low | 35.4 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 76.7 | 140.1 | -168.8 | -53.5 | 177.7 | -93.7 | 0 | 0 | 114 | ||||
| 411 | E | 36.6 | Very low | 35.9 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -143.1 | 168.9 | 6.6 | -143.9 | 146.4 | -125.8 | 0 | 0 | 111.9 | ||||
| 412 | E | 35.7 | Very low | 35.7 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -89.8 | 144.4 | -175.3 | -61.9 | 174.5 | 110.1 | 0 | 0 | 112.6 | ||||
| 413 | E | 34 | Very low | 35.5 | Very low | 184 Ų | 184 | 154 Ų | 154 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | -171.1 | 165.4 | 112.9 | -115.2 | -175.9 | -167.5 | 0 | 0 | 115.2 | |||||
| 414 | E | 32.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -31.9 | 163.2 | 165.4 | -72.5 | -173 | 176.7 | 0 | 0 | 119.2 | ||||
| 415 | D | 33.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 158.2 Ų | 158.2 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | -169.4 | 168.7 | -11.4 | 174.8 | 35 | 0 | 0 | 0 | 109.8 | ||||
| 416 | Q | 34.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 69.4 | 161.8 | 172.9 | -56.4 | -52.7 | -38.2 | 0 | 0 | 119.5 | ||||
| 417 | G | 29.8 | Very low | 34.3 | Very low | 66 Ų | 66 | 154.9 Ų | 154.9 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -119.8 | -154.5 | -156.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 418 | P | 53.6 | Low | 33.9 | Very low | 127 Ų | 127 | 154 Ų | 154 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -87.7 | 175.3 | -152.3 | 38.6 | -41.5 | 0 | 0 | 0 | 114.8 | ||||
| 419 | P | 43.7 | Very low | 33.6 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -144.1 | -178.2 | 23.5 | 43.3 | -22.7 | 0 | 0 | 0 | 119.6 | ||||
| 420 | C | 34.4 | Very low | 33.6 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -52.9 | 173.6 | 166.9 | -46.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 421 | P | 40.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -155.9 | -179.5 | 26.1 | 45.1 | -23.2 | 0 | 0 | 0 | 121 | ||||
| 422 | R | 28.4 | Very low | 33.4 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | trans | 67.8 | 124.8 | 142 | -88.1 | 177.3 | 176 | 169.7 | -0.7 | 123 | ||||
| 423 | L | 24.5 | Very low | 33.3 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | 70.2 | 156.2 | 146.1 | -56.3 | 171.8 | 0 | 0 | 0 | 116.3 | ||||
| 424 | S | 29.4 | Very low | 33.2 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | cis | -154.4 | 147.5 | 6.8 | 55 | 0 | 0 | 0 | 0 | 114 | ||||
| 425 | R | 30.3 | Very low | 33.2 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | 31.7 | 111.6 | 131.4 | -172.2 | -162.5 | -155.3 | 169.5 | 8.2 | 119.8 | ||||
| 426 | E | 27.8 | Very low | 33.2 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -160.4 | 117 | 134.7 | -106.1 | 178.4 | 153.6 | 0 | 0 | 108.1 | ||||
| 427 | L | 28.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 148 Ų | 148 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | 83.9 | 94.3 | 96.2 | -81 | -174.6 | 0 | 0 | 0 | 115.7 | |||||
| 428 | L | 30.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 18.5 | 114.4 | 137.4 | -172.1 | 75.2 | 0 | 0 | 0 | 118.2 | V430 | L428-V430 HydrophobicContact CD1-CG2 4.31Å; L428-V430 HydrophobicContact CG-CG2 4.42Å | ||
| 429 | E | 29.5 | Very low | 32.1 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -124 | 141.8 | 148.4 | -169.9 | 156.6 | -133 | 0 | 0 | 108.8 | ||||
| 430 | V | 36.6 | Very low | 31.7 | Very low | 117 Ų | 117 | 154 Ų | 154 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | trans | -96.1 | 123.7 | -173 | 174 | 0 | 0 | 0 | 0 | 109.6 | L428 | L428-V430 HydrophobicContact CD1-CG2 4.31Å; L428-V430 HydrophobicContact CG-CG2 4.42Å | ||
| 431 | V | 32 | Very low | 31.6 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | trans | -132.5 | 129.1 | 168 | -177.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 432 | E | 31.9 | Very low | 31.1 | Very low | 169 Ų | 169 | 158.5 Ų | 158.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -71.1 | 138.7 | 176.5 | -65 | 172.9 | 106.1 | 0 | 0 | 110.5 | E434 | E432-E434 PolarHBondContact O-N 2.95Å; E432-E434 VanDerWaalsContact O-N 3.16Å | ||
| 433 | P | 35 | Very low | 31.1 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -74.7 | 101.5 | 166.9 | 30.1 | -31.2 | 0 | 0 | 0 | 109.3 | V435 | P433-V435 PolarHBondContact O-N 3.46Š| ||
| 434 | E | 30.9 | Very low | 31.4 | Very low | 182 Ų | 182 | 157.2 Ų | 157.2 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -57.6 | 130.1 | 173.6 | -68.6 | -175.3 | 123.6 | 0 | 0 | 111.1 | E432 L436 | E432-E434 PolarHBondContact O-N 2.95Å; E432-E434 VanDerWaalsContact O-N 3.16Å; E434-L436 PolarHBondContact O-N 2.89Å | ||
| 435 | V | 32.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 158.4 Ų | 158.4 | 75% | 0.745 | 81% | 0.814 | S | S | * | * | trans | -80.5 | 101.7 | -179.6 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | P433 Q437 | P433-V435 PolarHBondContact O-N 3.46Å; V435-Q437 HydrophobicContact CG1-CG 4.03Å; V435-Q437 PolarHBondContact O-N 2.95Å | ||
| 436 | L | 34.9 | Very low | 31.3 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -82.7 | 92.5 | 167.4 | -72.7 | 177.7 | 0 | 0 | 0 | 110.9 | E434 | E434-L436 PolarHBondContact O-N 2.89Š| ||
| 437 | Q | 32.2 | Very low | 31.7 | Very low | 171 Ų | 171 | 151 Ų | 151 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -86.1 | 111.4 | 159.8 | -79.4 | 175.8 | -14.6 | 0 | 0 | 109.8 | V435 | V435-Q437 HydrophobicContact CG1-CG 4.03Å; V435-Q437 PolarHBondContact O-N 2.95Å | ||
| 438 | D | 28.7 | Very low | 31.7 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -174.9 | 150.6 | 137.7 | -109.7 | -22.8 | 0 | 0 | 0 | 109.8 | ||||
| 439 | S | 33.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | cis | -144.3 | 140.2 | 1.2 | 57.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 440 | L | 34.1 | Very low | 31.4 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 93% | 0.927 | 80% | 0.803 | S | S | * | * | trans | -110.4 | 117.4 | 169.4 | -90.4 | 172.5 | 0 | 0 | 0 | 110.3 | ||||
| 441 | D | 31.4 | Very low | 31 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 66% | 0.658 | 80% | 0.803 | S | S | * | * | trans | -158.5 | 142.8 | 166.9 | -141.3 | 65.6 | 0 | 0 | 0 | 109 | ||||
| 442 | R | 31.2 | Very low | 30.9 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 75% | 0.751 | 81% | 0.809 | S | S | * | * | cis | -172.1 | 135.2 | -22.8 | 170.3 | -170.1 | -49.5 | -150.6 | -0.6 | 107.1 | ||||
| 443 | C | 28.1 | Very low | 30.9 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 90% | 0.899 | 81% | 0.808 | S | S | * | * | trans | -172.2 | 93 | 151.1 | -112.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 444 | Y | 30.7 | Very low | 31.5 | Very low | 223 Ų | 223 | 146.4 Ų | 146.4 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -96.1 | 142.4 | 158.1 | -83.5 | -88.2 | 0 | 0 | 0 | 109.4 | ||||
| 445 | S | 28.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -161.7 | 127.4 | 149.4 | -88.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 446 | T | 29 | Very low | 31.2 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -96.4 | 142.7 | -179 | -53.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 447 | P | 37.1 | Very low | 30.8 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -81.5 | 138.8 | -169.7 | 31 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 448 | S | 28 | Very low | 30.8 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -174 | 154.2 | 168.1 | 175.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 449 | S | 26.8 | Very low | 31.1 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | cis | -170.3 | 146.4 | -41.1 | 54.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 450 | C | 25.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | 170.5 | 156 | 163.5 | -101.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 451 | L | 29.3 | Very low | 30.4 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | cis | -167.9 | 124.8 | -42.9 | -138.1 | 173.6 | 0 | 0 | 0 | 108.1 | Q453 | L451-Q453 HydrophobicContact CD2-CG 4.18Š| ||
| 452 | E | 29.9 | Very low | 30.3 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -151.7 | 159.6 | 158.3 | -122.8 | 171.9 | -168.2 | 0 | 0 | 110 | ||||
| 453 | Q | 32.3 | Very low | 30.2 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -140 | 168.9 | -159.6 | -91.2 | -174.5 | -19.1 | 0 | 0 | 110.8 | L451 | L451-Q453 HydrophobicContact CD2-CG 4.18Š| ||
| 454 | P | 47.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | cis | -138.7 | -159.9 | -24.5 | 34 | -11.9 | 0 | 0 | 0 | 113 | ||||
| 455 | D | 27.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | 102.3 | 127.8 | 143.9 | -73.5 | -15 | 0 | 0 | 0 | 124.2 | ||||
| 456 | S | 28.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 87.7 | 111 | 151.3 | 74 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 457 | C | 28.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 67.1 | 109.9 | 134.4 | -59.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 458 | Q | 31.5 | Very low | 30.1 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -53.3 | 164 | 147.1 | -91.6 | -174.6 | 12.7 | 0 | 0 | 113.1 | ||||
| 459 | P | 35.3 | Very low | 30.2 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -151.1 | 156 | 48.8 | 41.8 | -20.7 | 0 | 0 | 0 | 121.6 | ||||
| 460 | Y | 25.1 | Very low | 30.3 | Very low | 218 Ų | 218 | 146.3 Ų | 146.3 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | 24.9 | 133.2 | 125.8 | -140.8 | -92.2 | 0 | 0 | 0 | 121.1 | |||||
| 461 | G | 27.6 | Very low | 30.4 | Very low | 78 Ų | 78 | 148.9 Ų | 148.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 162.8 | 98.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 462 | S | 29 | Very low | 30.3 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -112.6 | 153.7 | 170.2 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 463 | S | 29.3 | Very low | 30.1 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 143.3 | 158 | 54 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 464 | F | 29 | Very low | 29.8 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -93.7 | 151 | 160.4 | -72.4 | -106.6 | 0 | 0 | 0 | 108.3 | ||||
| 465 | Y | 28.9 | Very low | 28.8 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | 173.5 | 166.2 | 106.6 | -101.6 | -75 | 0 | 0 | 0 | 112 | |||||
| 466 | A | 29.3 | Very low | 28.8 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -84.1 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 467 | L | 32.2 | Very low | 28.7 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -154 | 140.9 | 154.9 | -118.7 | 163.4 | 0 | 0 | 0 | 110.7 | ||||
| 468 | E | 32.1 | Very low | 28.9 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -89.1 | -178.8 | 173.8 | -67.5 | -174.2 | 95.1 | 0 | 0 | 112.2 | ||||
| 469 | E | 28.7 | Very low | 28.7 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | 81.4 | 95.5 | 150.2 | -163 | 124.7 | -97 | 0 | 0 | 119 | ||||
| 470 | K | 30.2 | Very low | 28.5 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 68% | 0.683 | 80% | 0.797 | S | S | * | * | 29.4 | 129.4 | 128.8 | -43.5 | 158.1 | -163.1 | 148 | 0 | 117.4 | |||||
| 471 | H | 27.6 | Very low | 29 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | -169.8 | 157.5 | 93.2 | -109.9 | -86.4 | 0 | 0 | 0 | 113.1 | |||||
| 472 | V | 26.9 | Very low | 29.3 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -88.1 | 135.5 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 473 | G | 25.2 | Very low | 29.5 | Very low | 76 Ų | 76 | 150.6 Ų | 150.6 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -165.4 | 124.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | F | 26.1 | Very low | 29.5 | Very low | 193 Ų | 193 | 153.1 Ų | 153.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -98.2 | 160.4 | -174.2 | -104.1 | -89.9 | 0 | 0 | 0 | 113.1 | ||||
| 475 | S | 27.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 124.2 | 155.7 | -56.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 476 | L | 27.7 | Very low | 29.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | -159.8 | 159.1 | 95.6 | -109 | 165.1 | 0 | 0 | 0 | 112.8 | |||||
| 477 | D | 26.6 | Very low | 29.6 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -99.1 | 156.6 | -177.6 | -179.5 | 30.2 | 0 | 0 | 0 | 111 | ||||
| 478 | V | 32.1 | Very low | 29.5 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -142.3 | 87.3 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 479 | G | 27.9 | Very low | 29.4 | Very low | 55 Ų | 55 | 150 Ų | 150 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | trans | -94.2 | 155.1 | 165 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 480 | E | 30.8 | Very low | 29.4 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -171.5 | 135.3 | 143 | -113.5 | 174.5 | -151.5 | 0 | 0 | 111.1 | ||||
| 481 | I | 35.7 | Very low | 29.4 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -175.3 | 126 | 133.2 | -93.7 | 159.3 | 0 | 0 | 0 | 106.6 | ||||
| 482 | E | 33.8 | Very low | 29.9 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -80.4 | 158.8 | -172.2 | -51.7 | 170.8 | 109.5 | 0 | 0 | 113.5 | ||||
| 483 | K | 32.2 | Very low | 30.6 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | -163.6 | 143.5 | 120.6 | -109.2 | 169.9 | -173.8 | -179.6 | 0 | 114.5 | |||||
| 484 | Y | 29.8 | Very low | 30.6 | Very low | 168 Ų | 168 | 148 Ų | 148 | 66% | 0.659 | 77% | 0.766 | S | S | * | * | trans | -43.4 | 158.8 | 172.2 | -41 | -77 | 0 | 0 | 0 | 114.3 | ||||
| 485 | Q | 31.1 | Very low | 31.1 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -161.1 | 129.8 | 28.3 | -141 | 146 | -2.3 | 0 | 0 | 107.8 | ||||
| 486 | E | 28 | Very low | 31.7 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 86 | 150.7 | 80.9 | -160.1 | 170.3 | -142.8 | 0 | 0 | 114.7 | |||||
| 487 | V | 29.5 | Very low | 31.5 | Very low | 124 Ų | 124 | 147 Ų | 147 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 90.6 | 105.2 | 174.9 | -170.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 488 | E | 30.9 | Very low | 31.4 | Very low | 168 Ų | 168 | 148 Ų | 148 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 28.1 | 121.6 | 133.6 | -75.1 | 171.8 | -171 | 0 | 0 | 120.3 | ||||
| 489 | E | 29.2 | Very low | 31 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 98.1 | 105.2 | 72.5 | -85 | -157.5 | 160.2 | 0 | 0 | 114.2 | |||||
| 490 | D | 29.8 | Very low | 31 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 67.5 | 171.7 | 139.8 | -157.5 | 28 | 0 | 0 | 0 | 120.7 | ||||
| 491 | Q | 28.6 | Very low | 30.8 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | 74.5 | 85.9 | 173.9 | -52.3 | -65.5 | -53.6 | 0 | 0 | 117.4 | ||||
| 492 | D | 39.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -81.4 | 120.2 | 148.4 | 179.5 | 23.8 | 0 | 0 | 0 | 108.6 | ||||
| 493 | P | 41.8 | Very low | 30 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | -148.9 | 152.9 | 111.4 | 36.9 | -21.3 | 0 | 0 | 0 | 115.7 | |||||
| 494 | S | 24.8 | Very low | 29.8 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | 121.3 | 110.8 | 141 | -50 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 495 | C | 36.7 | Very low | 29.7 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -61 | 159.4 | 145.4 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 496 | P | 39.7 | Very low | 29.5 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -154.1 | -164.6 | 35.2 | 40.4 | -16.5 | 0 | 0 | 0 | 117.5 | ||||
| 497 | R | 24.1 | Very low | 29.3 | Very low | 219 Ų | 219 | 146.3 Ų | 146.3 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 89.8 | 117.9 | 150.1 | -77.5 | 174.5 | 169.1 | 178.8 | -3.2 | 122.3 | ||||
| 498 | L | 23.3 | Very low | 29.1 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | 61.9 | 118 | 125.3 | -60 | 169.5 | 0 | 0 | 0 | 121.3 | |||||
| 499 | N | 25.1 | Very low | 28.9 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | -160.7 | 165.8 | 110.8 | -143.6 | -24.4 | 0 | 0 | 0 | 112.5 | |||||
| 500 | G | 27.3 | Very low | 28.9 | Very low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | 87.7 | 57.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 501 | V | 26.9 | Very low | 28.8 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | 89.2 | 132.9 | 85.2 | 170.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 502 | L | 25.5 | Very low | 29 | Very low | 167 Ų | 167 | 151.7 Ų | 151.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -106 | 153.2 | -172.3 | -83.2 | 163.5 | 0 | 0 | 0 | 113.5 | ||||
| 503 | M | 25.9 | Very low | 28.3 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -161.2 | 132.1 | 150.3 | -103.1 | -175.5 | 77.1 | 0 | 0 | 105.9 | ||||
| 504 | E | 28.7 | Very low | 27.7 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | cis | -131.8 | 146.1 | -0.4 | -78.2 | 169.4 | 127 | 0 | 0 | 107.8 | ||||
| 505 | V | 26.8 | Very low | 27.9 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | 44 | 114.7 | 88 | -169.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 506 | E | 27.6 | Very low | 27.4 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | cis | -146.5 | 165.9 | 48.2 | -167.5 | 165.1 | -158.9 | 0 | 0 | 113.6 | ||||
| 507 | E | 24.5 | Very low | 26.6 | Very low | 188 Ų | 188 | 158.8 Ų | 158.8 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -89.4 | 123.1 | -175.4 | -71.3 | -173.1 | 106.8 | 0 | 0 | 114.9 | ||||
| 508 | R | 24.1 | Very low | 26.8 | Very low | 239 Ų | 239 | 153.6 Ų | 153.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -3.2 | 122.3 | 137.7 | -177.4 | -162.9 | -139.5 | -177 | 7.5 | 117.2 | ||||
| 509 | E | 27.9 | Very low | 26.8 | Very low | 187 Ų | 187 | 156.9 Ų | 156.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -144.3 | 104.1 | 142 | -128 | 176.3 | -149 | 0 | 0 | 114.6 | ||||
| 510 | V | 28.7 | Very low | 26.8 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | 61.5 | 86.3 | 138.9 | -179.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 511 | L | 28.6 | Very low | 26.8 | Very low | 150 Ų | 150 | 157.5 Ų | 157.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | 175.8 | 143.3 | 105.3 | -97.3 | 169.3 | 0 | 0 | 0 | 113.6 | |||||
| 512 | Q | 31.5 | Very low | 26.7 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 156.2 | 172.3 | -62.7 | 163.7 | -13 | 0 | 0 | 113.6 | ||||
| 513 | D | 25.5 | Very low | 26.7 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | cis | -148.7 | 179.7 | 10.7 | -162.8 | 8.7 | 0 | 0 | 0 | 111.9 | ||||
| 514 | S | 27.5 | Very low | 26.6 | Very low | 91 Ų | 91 | 153.9 Ų | 153.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | 73.4 | 118.7 | 152.7 | 71.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 515 | L | 30.2 | Very low | 26.4 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | 44.8 | 106.2 | 133 | -63.3 | 171.8 | 0 | 0 | 0 | 122.3 | ||||
| 516 | D | 25.5 | Very low | 26.4 | Very low | 128 Ų | 128 | 159.3 Ų | 159.3 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | trans | -151.9 | 143 | 148 | -154.9 | 70.1 | 0 | 0 | 0 | 105.9 | ||||
| 517 | R | 23.6 | Very low | 26.4 | Very low | 196 Ų | 196 | 158.6 Ų | 158.6 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -165 | 155.5 | -12.7 | 168.9 | -176.2 | -51 | -144.7 | -4.6 | 107.6 | ||||
| 518 | C | 28.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 156.1 Ų | 156.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -16.2 | 127.5 | 176.2 | -49.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 519 | Y | 22.4 | Very low | 26.7 | Very low | 226 Ų | 226 | 150.3 Ų | 150.3 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | trans | -152.4 | 139.8 | 140.8 | -93.1 | -62.5 | 0 | 0 | 0 | 113.9 | ||||
| 520 | S | 25.1 | Very low | 26.9 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 50.5 | 122.3 | 146.2 | -55 | 0 | 0 | 0 | 0 | 121.8 | P522 | S520-P522 WeakPolarHBondContact O-CD 3.43Š| ||
| 521 | T | 28.3 | Very low | 27.3 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -52.8 | 130.5 | 156.4 | -38.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 522 | P | 24.1 | Very low | 27.5 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -104.1 | 121.9 | 158.3 | 14.2 | 5.3 | 0 | 0 | 0 | 110.2 | S520 | S520-P522 WeakPolarHBondContact O-CD 3.43Š| ||
| 523 | S | 25.5 | Very low | 27.4 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | -75.7 | 133.9 | 168 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 524 | M | 25.2 | Very low | 27.7 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | trans | -150.8 | 137 | 151.9 | -96 | -100.6 | 62.1 | 0 | 0 | 109.3 | ||||
| 525 | Y | 24.5 | Very low | 27.9 | Very low | 191 Ų | 191 | 157 Ų | 157 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -63.2 | 144.9 | -178.4 | -77.9 | -121.8 | 0 | 0 | 0 | 112.5 | ||||
| 526 | F | 26.1 | Very low | 28 | Very low | 207 Ų | 207 | 160.2 Ų | 160.2 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -141.7 | 154.2 | 138 | -109 | -78.3 | 0 | 0 | 0 | 109.5 | ||||
| 527 | E | 27.3 | Very low | 28.5 | Very low | 173 Ų | 173 | 159.8 Ų | 159.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -87 | 167.5 | -161.4 | -66.5 | 158.9 | 119 | 0 | 0 | 114.2 | ||||
| 528 | L | 27.2 | Very low | 28.7 | Very low | 137 Ų | 137 | 156.6 Ų | 156.6 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | trans | -59.5 | 157.3 | -178 | -68.6 | 161.7 | 0 | 0 | 0 | 112.9 | ||||
| 529 | P | 27.1 | Very low | 29 | Very low | 116 Ų | 116 | 161.1 Ų | 161.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | -131.7 | 141.9 | 93.6 | 35.5 | -26.8 | 0 | 0 | 0 | 114.5 | S531 | P529-S531 PolarHBondContact O-N 3.35Å; P529-S531 VanDerWaalsContact O-N 3.14Å | |||
| 530 | D | 33.7 | Very low | 29.3 | Very low | 140 Ų | 140 | 160.6 Ų | 160.6 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -64.3 | 106.9 | -177.8 | -60.1 | -80.5 | 0 | 0 | 0 | 113.7 | ||||
| 531 | S | 35.6 | Very low | 29.6 | Very low | 87 Ų | 87 | 159.7 Ų | 159.7 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | trans | -159.8 | 152.5 | 157.7 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | P529 | P529-S531 PolarHBondContact O-N 3.35Å; P529-S531 VanDerWaalsContact O-N 3.14Å | ||
| 532 | F | 34.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 161.1 Ų | 161.1 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 68.1 | 42.4 | 168.8 | -57.6 | -77.9 | 0 | 0 | 0 | 120.1 | ||
| 533 | Q | 29.8 | Very low | 30.6 | Very low | 177 Ų | 177 | 163.1 Ų | 163.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -138.1 | 32.7 | 156.8 | -79.7 | -52.5 | -23.6 | 0 | 0 | 116.3 | ||||
| 534 | H | 30.2 | Very low | 31 | Very low | 188 Ų | 188 | 165.1 Ų | 165.1 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -122.9 | 69.7 | 169.9 | -79.5 | -0.7 | 0 | 0 | 0 | 111.8 | ||||
| 535 | Y | 31.4 | Very low | 31.5 | Very low | 233 Ų | 233 | 163.8 Ų | 163.8 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -138.3 | 36.9 | 165.5 | -123.1 | -79.7 | 0 | 0 | 0 | 113.2 | ||
| 536 | R | 33.5 | Very low | 32 | Very low | 241 Ų | 241 | 160.3 Ų | 160.3 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -154.8 | 146.6 | 164.1 | -112.9 | 174.2 | 174.4 | -179.6 | -3.5 | 109.1 | ||
| 537 | S | 34.7 | Very low | 32.5 | Very low | 120 Ų | 120 | 155.8 Ų | 155.8 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | 70.2 | 57.9 | 173.5 | -163.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 538 | V | 28.6 | Very low | 32.7 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -137.3 | 106.5 | 140 | -166.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 539 | F | 35.2 | Very low | 33 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 90% | 0.895 | 74% | 0.739 | S | S | * | * | trans | -144.2 | 35.6 | 175.4 | -117.6 | -67.2 | 0 | 0 | 0 | 111.3 | ||||
| 540 | Y | 28.3 | Very low | 33.5 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -142.1 | 166.1 | 173.3 | -87.5 | -76.9 | 0 | 0 | 0 | 109.8 | ||
| 541 | S | 31.1 | Very low | 33.7 | Very low | 80 Ų | 80 | 147.2 Ų | 147.2 | 56% | 0.559 | 72% | 0.715 | S | S | * | * | trans | 57.4 | 54.7 | 177.8 | 60.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 542 | F | 33.8 | Very low | 33.5 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 74% | 0.737 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -73.4 | -27.2 | 163.9 | -162.1 | -97.2 | 0 | 0 | 0 | 113.2 | E544 H546 | F542-E544 PolarHBondContact O-N 2.94Å; F542-H546 AromaticContact CE1-NE2 3.74Å |
| 543 | E | 39.5 | Very low | 33.8 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -66.8 | -37.8 | -172 | -139.4 | 62 | -151.8 | 0 | 0 | 114.2 | ||
| 544 | E | 34.8 | Very low | 34.1 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -88 | -26.4 | -160.2 | -158.8 | 169.9 | -152.2 | 0 | 0 | 113.8 | F542 H546 I547 | F542-E544 PolarHBondContact O-N 2.94Å; E544-H546 PolarHBondContact O-N 3.1Å; E544-I547 PolarHBondContact O-N 2.99Å |
| 545 | Q | 34.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 136 Ų | 136 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.2 | -23.2 | 179.7 | -64.8 | -165.7 | 4.3 | 0 | 0 | 113.1 | I547 F549 | Q545-I547 VanDerWaalsContact C-N 3.33Å; Q545-I547 PolarHBondContact O-N 3.22Å; Q545-F549 PolarHBondContact O-N 3.49Å; Q545-F549 VanDerWaalsContact O-N 3.1Å |
| 546 | H | 34.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 55% | 0.546 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.2 | -31.5 | 178.9 | -86.8 | -69.8 | 0 | 0 | 0 | 113.3 | F542 E544 A550 | F542-H546 AromaticContact CE1-NE2 3.74Å; E544-H546 PolarHBondContact O-N 3.1Å; H546-A550 WeakPolarHBondContact O-CB 3.38Å; H546-A550 PolarHBondContact O-N 3.36Å |
| 547 | I | 37.1 | Very low | 35 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 57% | 0.574 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.1 | -47.2 | 179.3 | -58.6 | 177.4 | 0 | 0 | 0 | 110.3 | E544 Q545 A550 L551 | E544-I547 PolarHBondContact O-N 2.99Å; Q545-I547 VanDerWaalsContact C-N 3.33Å; Q545-I547 PolarHBondContact O-N 3.22Å; I547-A550 PolarHBondContact O-N 2.92Å; I547-L551 HydrophobicContact CG2-CD1 3.98Å; I547-L551 WeakPolarHBondContact O-CB 3.41Å; I547-L551 WeakPolarHBondContact O-CG 3.25Å; I547-L551 PolarHBondContact O-N 2.83Å |
| 548 | S | 31.7 | Very low | 35.2 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.2 | -40.8 | 177.9 | -75.1 | 0 | 0 | 0 | 0 | 112.8 | Y552 | S548-Y552 VanDerWaalsContact O-CB 3.31Å; S548-Y552 WeakPolarHBondContact O-CB 3.44Å; S548-Y552 PolarHBondContact O-N 3.32Å |
| 549 | F | 34.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 61% | 0.605 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.8 | -37.5 | 177.7 | -102 | -80.5 | 0 | 0 | 0 | 113.2 | Q545 Y552 V553 | Q545-F549 PolarHBondContact O-N 3.49Å; Q545-F549 VanDerWaalsContact O-N 3.1Å; F549-Y552 PolarHBondContact O-N 3.34Å; F549-V553 WeakPolarHBondContact O-CB 3.37Å; F549-V553 VanDerWaalsContact O-CG2 3.31Å; F549-V553 WeakPolarHBondContact O-CG2 3.49Å; F549-V553 PolarHBondContact O-N 3.45Å |
| 550 | A | 37.1 | Very low | 36 | Very low | 47 Ų | 47 | 121.4 Ų | 121.4 | 39% | 0.388 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -59.5 | -54.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H546 I547 Y552 V553 D554 | H546-A550 WeakPolarHBondContact O-CB 3.38Å; H546-A550 PolarHBondContact O-N 3.36Å; I547-A550 PolarHBondContact O-N 2.92Å; A550-Y552 VanDerWaalsContact C-N 3.28Å; A550-Y552 PolarHBondContact O-N 3.24Å; A550-V553 PolarHBondContact O-N 3.24Å; A550-V553 VanDerWaalsContact O-N 3.17Å; A550-D554 WeakPolarHBondContact O-CB 3.39Å; A550-D554 PolarHBondContact O-N 2.94Å |
| 551 | L | 36.8 | Very low | 36.8 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.8 | -33.7 | -179.9 | -68.3 | 173.9 | 0 | 0 | 0 | 113.1 | I547 N555 | I547-L551 HydrophobicContact CG2-CD1 3.98Å; I547-L551 WeakPolarHBondContact O-CB 3.41Å; I547-L551 WeakPolarHBondContact O-CG 3.25Å; I547-L551 PolarHBondContact O-N 2.83Å; L551-N555 WeakPolarHBondContact O-CB 3.42Å; L551-N555 PolarHBondContact O-N 3.25Å |
| 552 | Y | 31.6 | Very low | 37.2 | Very low | 136 Ų | 136 | 113.8 Ų | 113.8 | 53% | 0.533 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.6 | -37.6 | 177 | -166 | -112 | 0 | 0 | 0 | 113.3 | S548 F549 A550 R556 | S548-Y552 VanDerWaalsContact O-CB 3.31Å; S548-Y552 WeakPolarHBondContact O-CB 3.44Å; S548-Y552 PolarHBondContact O-N 3.32Å; F549-Y552 PolarHBondContact O-N 3.34Å; A550-Y552 VanDerWaalsContact C-N 3.28Å; A550-Y552 PolarHBondContact O-N 3.24Å; Y552-R556 WeakPolarHBondContact O-CB 3.32Å; Y552-R556 WeakPolarHBondContact O-CG 3.39Å; Y552-R556 PolarHBondContact O-N 2.91Å; Y552-R556 PolarHBondContact OH-NH2 3.03Å |
| 553 | V | 40.6 | Very low | 37.6 | Very low | 70 Ų | 70 | 109.5 Ų | 109.5 | 42% | 0.424 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.1 | -44.5 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | F549 A550 R556 F557 | F549-V553 WeakPolarHBondContact O-CB 3.37Å; F549-V553 VanDerWaalsContact O-CG2 3.31Å; F549-V553 WeakPolarHBondContact O-CG2 3.49Å; F549-V553 PolarHBondContact O-N 3.45Å; A550-V553 PolarHBondContact O-N 3.24Å; A550-V553 VanDerWaalsContact O-N 3.17Å; V553-R556 PolarHBondContact O-N 3.5Å; V553-F557 HydrophobicContact CG1-CD2 4.42Å; V553-F557 PolarHBondContact O-N 3.35Å |
| 554 | D | 37.4 | Very low | 37.5 | Very low | 94 Ų | 94 | 105 Ų | 105 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178 | -73 | -26.4 | 0 | 0 | 0 | 111.6 | A550 R556 F557 F558 | A550-D554 WeakPolarHBondContact O-CB 3.39Å; A550-D554 PolarHBondContact O-N 2.94Å; D554-R556 VanDerWaalsContact C-N 3.35Å; D554-R556 PolarHBondContact O-N 3.4Å; D554-F557 CarbonylContact O-C 3.55Å; D554-F557 PolarHBondContact O-N 3.39Å; D554-F557 VanDerWaalsContact O-N 3.16Å; D554-F558 WeakPolarHBondContact O-CB 3.24Å; D554-F558 PolarHBondContact O-N 3.22Å |
| 555 | N | 35.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 103.1 Ų | 103.1 | 57% | 0.572 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.7 | -34.5 | 177.4 | -164.5 | -18.7 | 0 | 0 | 0 | 111.7 | L551 T559 | L551-N555 WeakPolarHBondContact O-CB 3.42Å; L551-N555 PolarHBondContact O-N 3.25Å; N555-T559 WeakPolarHBondContact O-CB 3.5Å; N555-T559 WeakPolarHBondContact O-CG2 3.25Å; N555-T559 PolarHBondContact O-N 3.1Å; N555-T559 PolarHBondContact O-OG1 2.88Å |
| 556 | R | 38.1 | Very low | 37.6 | Very low | 139 Ų | 139 | 102.1 Ų | 102.1 | 53% | 0.525 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 168.5 | -78.5 | 178.7 | 177.3 | -119.6 | 8.6 | 112.5 | Y552 V553 D554 T559 L560 | Y552-R556 WeakPolarHBondContact O-CB 3.32Å; Y552-R556 WeakPolarHBondContact O-CG 3.39Å; Y552-R556 PolarHBondContact O-N 2.91Å; Y552-R556 PolarHBondContact OH-NH2 3.03Å; V553-R556 PolarHBondContact O-N 3.5Å; D554-R556 VanDerWaalsContact C-N 3.35Å; D554-R556 PolarHBondContact O-N 3.4Å; R556-T559 WeakPolarHBondContact CA-OG1 3.25Å; R556-T559 PolarHBondContact O-OG1 3.38Å; R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.81Å |
| 557 | F | 39.4 | Very low | 37.7 | Very low | 138 Ų | 138 | 101.6 Ų | 101.6 | 61% | 0.605 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | 177.3 | -117.9 | -87.6 | 0 | 0 | 0 | 111.7 | V553 D554 T561 | V553-F557 HydrophobicContact CG1-CD2 4.42Å; V553-F557 PolarHBondContact O-N 3.35Å; D554-F557 CarbonylContact O-C 3.55Å; D554-F557 PolarHBondContact O-N 3.39Å; D554-F557 VanDerWaalsContact O-N 3.16Å; F557-T561 HydrophobicContact CD1-CG2 4.29Å; F557-T561 WeakPolarHBondContact O-CB 3.4Å; F557-T561 WeakPolarHBondContact O-CG2 3.36Å; F557-T561 PolarHBondContact O-N 3.03Å; F557-T561 PolarHBondContact O-OG1 3.28Å |
| 558 | F | 39.4 | Very low | 37.8 | Very low | 146 Ų | 146 | 100.6 Ų | 100.6 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -48.6 | 173 | -111.5 | -88.8 | 0 | 0 | 0 | 111.5 | D554 L560 T561 V562 | D554-F558 WeakPolarHBondContact O-CB 3.24Å; D554-F558 PolarHBondContact O-N 3.22Å; F558-L560 PolarHBondContact O-N 3.1Å; F558-T561 WeakPolarHBondContact CA-OG1 3.42Å; F558-T561 PolarHBondContact O-N 3.11Å; F558-T561 PolarHBondContact O-OG1 2.93Å; F558-V562 HydrophobicContact CD1-CG2 4.05Å; F558-V562 WeakPolarHBondContact O-CB 3.41Å; F558-V562 WeakPolarHBondContact O-CG2 3.49Å; F558-V562 PolarHBondContact O-N 2.96Å |
| 559 | T | 39.8 | Very low | 38 | Very low | 75 Ų | 75 | 103.9 Ų | 103.9 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 178.7 | 46.2 | 0 | 0 | 0 | 0 | 112.8 | N555 R556 T563 | N555-T559 WeakPolarHBondContact O-CB 3.5Å; N555-T559 WeakPolarHBondContact O-CG2 3.25Å; N555-T559 PolarHBondContact O-N 3.1Å; N555-T559 PolarHBondContact O-OG1 2.88Å; R556-T559 WeakPolarHBondContact CA-OG1 3.25Å; R556-T559 PolarHBondContact O-OG1 3.38Å; T559-T563 WeakPolarHBondContact O-CB 3.35Å; T559-T563 VanDerWaalsContact O-CG2 3.29Å; T559-T563 WeakPolarHBondContact O-CG2 3.45Å; T559-T563 PolarHBondContact O-N 3.39Å; T559-T563 PolarHBondContact O-OG1 3.45Å |
| 560 | L | 41.1 | Very low | 38.3 | Very low | 120 Ų | 120 | 103.8 Ų | 103.8 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.1 | -40.9 | 173.7 | -82 | 164.2 | 0 | 0 | 0 | 113.3 | R556 F558 T563 S564 | R556-L560 WeakPolarHBondContact O-CB 3.48Å; R556-L560 PolarHBondContact O-N 2.81Å; F558-L560 PolarHBondContact O-N 3.1Å; L560-T563 PolarHBondContact O-OG1 3.11Å; L560-S564 WeakPolarHBondContact O-CB 3.36Å; L560-S564 PolarHBondContact O-N 2.94Å |
| 561 | T | 45.2 | Very low | 38.4 | Very low | 63 Ų | 63 | 109.4 Ų | 109.4 | 39% | 0.387 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.8 | -38.6 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | F557 F558 S564 L565 | F557-T561 HydrophobicContact CD1-CG2 4.29Å; F557-T561 WeakPolarHBondContact O-CB 3.4Å; F557-T561 WeakPolarHBondContact O-CG2 3.36Å; F557-T561 PolarHBondContact O-N 3.03Å; F557-T561 PolarHBondContact O-OG1 3.28Å; F558-T561 WeakPolarHBondContact CA-OG1 3.42Å; F558-T561 PolarHBondContact O-N 3.11Å; F558-T561 PolarHBondContact O-OG1 2.93Å; T561-S564 PolarHBondContact O-N 3.36Å; T561-L565 WeakPolarHBondContact O-CB 3.11Å; T561-L565 PolarHBondContact O-N 2.89Å |
| 562 | V | 39.7 | Very low | 38.7 | Very low | 73 Ų | 73 | 106.6 Ų | 106.6 | 44% | 0.442 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.8 | -44.2 | 174.5 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | F558 S564 L565 H566 | F558-V562 HydrophobicContact CD1-CG2 4.05Å; F558-V562 WeakPolarHBondContact O-CB 3.41Å; F558-V562 WeakPolarHBondContact O-CG2 3.49Å; F558-V562 PolarHBondContact O-N 2.96Å; V562-S564 PolarHBondContact O-N 2.86Å; V562-L565 PolarHBondContact O-N 2.83Å; V562-H566 VanDerWaalsContact O-CB 3.27Å; V562-H566 WeakPolarHBondContact O-CB 3.35Å; V562-H566 PolarHBondContact O-N 3.14Å |
| 563 | T | 40.8 | Very low | 39.3 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.6 | -36.4 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | T559 L560 H566 L567 | T559-T563 WeakPolarHBondContact O-CB 3.35Å; T559-T563 VanDerWaalsContact O-CG2 3.29Å; T559-T563 WeakPolarHBondContact O-CG2 3.45Å; T559-T563 PolarHBondContact O-N 3.39Å; T559-T563 PolarHBondContact O-OG1 3.45Å; L560-T563 PolarHBondContact O-OG1 3.11Å; T563-H566 PolarHBondContact O-N 3.46Å; T563-L567 WeakPolarHBondContact O-CB 3.41Å; T563-L567 PolarHBondContact O-N 2.95Å |
| 564 | S | 37.5 | Very low | 39 | Very low | 68 Ų | 68 | 109.6 Ų | 109.6 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.3 | -50 | 172 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | L560 T561 V562 H566 L567 V568 | L560-S564 WeakPolarHBondContact O-CB 3.36Å; L560-S564 PolarHBondContact O-N 2.94Å; T561-S564 PolarHBondContact O-N 3.36Å; V562-S564 PolarHBondContact O-N 2.86Å; S564-H566 VanDerWaalsContact C-N 3.31Å; S564-H566 PolarHBondContact O-N 3.42Å; S564-L567 PolarHBondContact O-N 3.34Å; S564-V568 WeakPolarHBondContact O-CG2 3.45Å; S564-V568 PolarHBondContact O-N 3.4Å |
| 565 | L | 39.1 | Very low | 38.9 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.4 | -39.8 | 175.2 | -88.7 | 158.1 | 0 | 0 | 0 | 112.2 | T561 V562 V568 F569 | T561-L565 WeakPolarHBondContact O-CB 3.11Å; T561-L565 PolarHBondContact O-N 2.89Å; V562-L565 PolarHBondContact O-N 2.83Å; L565-V568 PolarHBondContact O-N 3.03Å; L565-F569 WeakPolarHBondContact O-CB 3.33Å; L565-F569 PolarHBondContact O-N 3.38Å |
| 566 | H | 32.4 | Very low | 39.1 | Very low | 118 Ų | 118 | 114.6 Ų | 114.6 | 55% | 0.546 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71 | -31.6 | 179.5 | -155.6 | -44 | 0 | 0 | 0 | 112.7 | V562 T563 S564 Q570 | V562-H566 VanDerWaalsContact O-CB 3.27Å; V562-H566 WeakPolarHBondContact O-CB 3.35Å; V562-H566 PolarHBondContact O-N 3.14Å; T563-H566 PolarHBondContact O-N 3.46Å; S564-H566 VanDerWaalsContact C-N 3.31Å; S564-H566 PolarHBondContact O-N 3.42Å; H566-Q570 PolarHBondContact O-N 3.32Å; H566-Q570 VanDerWaalsContact O-N 3.14Å |
| 567 | L | 37.3 | Very low | 39 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.9 | -43.4 | 169.9 | -85.5 | 162.6 | 0 | 0 | 0 | 111.9 | T563 S564 F569 Q570 M571 | T563-L567 WeakPolarHBondContact O-CB 3.41Å; T563-L567 PolarHBondContact O-N 2.95Å; S564-L567 PolarHBondContact O-N 3.34Å; L567-F569 VanDerWaalsContact C-N 3.34Å; L567-F569 PolarHBondContact O-N 3.02Å; L567-Q570 PolarHBondContact O-N 2.88Å; L567-M571 WeakPolarHBondContact O-CG 3.28Å; L567-M571 PolarHBondContact O-N 3.09Å |
| 568 | V | 39.4 | Very low | 39 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.3 | -41 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | S564 L565 M571 G572 | S564-V568 WeakPolarHBondContact O-CG2 3.45Å; S564-V568 PolarHBondContact O-N 3.4Å; L565-V568 PolarHBondContact O-N 3.03Å; V568-M571 PolarHBondContact O-N 2.93Å; V568-G572 PolarHBondContact O-N 3.2Å |
| 569 | F | 35.9 | Very low | 39 | Very low | 155 Ų | 155 | 118.5 Ų | 118.5 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.2 | -33.9 | 174.8 | -102.6 | -88.8 | 0 | 0 | 0 | 113.6 | L565 L567 | L565-F569 WeakPolarHBondContact O-CB 3.33Å; L565-F569 PolarHBondContact O-N 3.38Å; L567-F569 VanDerWaalsContact C-N 3.34Å; L567-F569 PolarHBondContact O-N 3.02Å |
| 570 | Q | 39.6 | Very low | 38.9 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.5 | -30.9 | 174 | -81.3 | -172.3 | -25.7 | 0 | 0 | 113.3 | H566 L567 | H566-Q570 PolarHBondContact O-N 3.32Å; H566-Q570 VanDerWaalsContact O-N 3.14Å; L567-Q570 PolarHBondContact O-N 2.88Å |
| 571 | M | 39.9 | Very low | 38.8 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -83.6 | -11.8 | 175.8 | -66.6 | -65.9 | -70.7 | 0 | 0 | 113.5 | L567 V568 | L567-M571 WeakPolarHBondContact O-CG 3.28Å; L567-M571 PolarHBondContact O-N 3.09Å; V568-M571 PolarHBondContact O-N 2.93Å |
| 572 | G | 42.4 | Very low | 38.4 | Very low | 54 Ų | 54 | 124.6 Ų | 124.6 | 56% | 0.557 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -86.7 | -9.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | V568 | V568-G572 PolarHBondContact O-N 3.2Š|
| 573 | V | 44.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -135.8 | 79.1 | -173.8 | -168.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 574 | I | 34 | Very low | 38.1 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 84% | 0.841 | 69% | 0.692 | S | S | * | * | trans | -151.6 | 118.1 | 141.3 | -92.6 | 137.5 | 0 | 0 | 0 | 106.2 | ||||
| 575 | F | 34.5 | Very low | 38.2 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | -86 | 152.3 | 177.6 | -88.5 | -102.3 | 0 | 0 | 0 | 111.3 | ||||
| 576 | P | 40.2 | Very low | 38.1 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | -79.1 | 129.7 | 162.4 | 32.5 | -31.4 | 0 | 0 | 0 | 110.9 | ||||
| 577 | Q | 36.4 | Very low | 38.6 | Very low | 268 Ų | 268 | 141.1 Ų | 141.1 | 100% | 1.252 | 74% | 0.739 | S | S | * | * | trans | -150.3 | 0 | 157.2 | -167.9 | 165.9 | 32 | 0 | 0 | 110.1 |
Retrieved 577 of 577 residues in 274.4 ms
(Link to these results)