| 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 | 50.3 | Low | 53.5 | Low | 224 Ų | 224 | 116.7 Ų | 116.7 | 100% | 1.103 | 62% | 0.62 | S | S | * | * | 0 | -26 | 0 | -95.4 | -179.2 | 175.5 | 0 | 0 | 114.7 | |||||
| 2 | L | 46.4 | Very low | 54.3 | Low | 155 Ų | 155 | 118.5 Ų | 118.5 | 81% | 0.812 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74 | -32.1 | -175.9 | -74.2 | 161.3 | 0 | 0 | 0 | 115.2 | N4 N5 | L2-N4 PolarHBondContact O-N 3.4Å; L2-N5 PolarHBondContact O-N 3.41Å |
| 3 | L | 46.8 | Very low | 55.3 | Low | 148 Ų | 148 | 120.6 Ų | 120.6 | 78% | 0.775 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.6 | -29.4 | -178.5 | -86.3 | 147.8 | 0 | 0 | 0 | 114.5 | S6 L7 | L3-S6 PolarHBondContact O-OG 3.13Å; L3-L7 PolarHBondContact O-N 3.36Å |
| 4 | N | 48.4 | Very low | 55.5 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -33.4 | 177.4 | -94.9 | 3.1 | 0 | 0 | 0 | 112.3 | L2 V8 | L2-N4 PolarHBondContact O-N 3.4Å; N4-V8 VanDerWaalsContact O-CG2 3.23Å; N4-V8 WeakPolarHBondContact O-CG2 3.5Å; N4-V8 PolarHBondContact O-N 3.36Å; N4-V8 VanDerWaalsContact O-N 3.13Å |
| 5 | N | 52.5 | Low | 55.5 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.1 | -30.5 | -178 | -83.9 | -18.8 | 0 | 0 | 0 | 112.9 | L2 K9 | L2-N5 PolarHBondContact O-N 3.41Å; N5-K9 WeakPolarHBondContact O-CB 3.3Å; N5-K9 WeakPolarHBondContact O-CG 3.43Å; N5-K9 PolarHBondContact O-N 3.32Å; N5-K9 VanDerWaalsContact O-N 3.17Å |
| 6 | S | 56.4 | Low | 55.9 | Low | 71 Ų | 71 | 114.1 Ų | 114.1 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.5 | -38.7 | 174.8 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | L3 K9 A10 | L3-S6 PolarHBondContact O-OG 3.13Å; S6-K9 PolarHBondContact O-N 3.31Å; S6-A10 WeakPolarHBondContact O-CB 3.5Å; S6-A10 PolarHBondContact O-N 3.21Å |
| 7 | L | 50.9 | Low | 56.3 | Low | 96 Ų | 96 | 113.1 Ų | 113.1 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67 | -42.9 | 178.8 | -156.5 | 85.8 | 0 | 0 | 0 | 111.5 | L3 A10 Q11 | L3-L7 PolarHBondContact O-N 3.36Å; L7-A10 PolarHBondContact O-N 2.98Å; L7-Q11 PolarHBondContact O-N 3.13Å |
| 8 | V | 56.8 | Low | 56.2 | Low | 67 Ų | 67 | 111.2 Ų | 111.2 | 41% | 0.406 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.3 | -38.5 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.7 | N4 Q11 H12 | N4-V8 VanDerWaalsContact O-CG2 3.23Å; N4-V8 WeakPolarHBondContact O-CG2 3.5Å; N4-V8 PolarHBondContact O-N 3.36Å; N4-V8 VanDerWaalsContact O-N 3.13Å; V8-Q11 WeakPolarHBondContact O-CB 3.49Å; V8-Q11 PolarHBondContact O-N 3.1Å; V8-H12 PolarHBondContact O-N 3.04Å |
| 9 | K | 64.2 | Low | 56.3 | Low | 154 Ų | 154 | 112.1 Ų | 112.1 | 67% | 0.67 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -41.3 | 174 | -80.5 | -177.3 | 178 | -175.9 | 0 | 112.4 | N5 S6 Q11 H12 Q13 | N5-K9 WeakPolarHBondContact O-CB 3.3Å; N5-K9 WeakPolarHBondContact O-CG 3.43Å; N5-K9 PolarHBondContact O-N 3.32Å; N5-K9 VanDerWaalsContact O-N 3.17Å; S6-K9 PolarHBondContact O-N 3.31Å; K9-Q11 VanDerWaalsContact C-N 3.31Å; K9-H12 PolarHBondContact O-N 2.84Å; K9-Q13 PolarHBondContact O-N 3.42Å; K9-Q13 VanDerWaalsContact O-N 3.09Å |
| 10 | A | 60.7 | Low | 56.5 | Low | 50 Ų | 50 | 112 Ų | 112 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S6 L7 Q13 Q14 | S6-A10 WeakPolarHBondContact O-CB 3.5Å; S6-A10 PolarHBondContact O-N 3.21Å; L7-A10 PolarHBondContact O-N 2.98Å; A10-Q13 PolarHBondContact O-N 3.06Å; A10-Q14 PolarHBondContact O-N 3.49Å |
| 11 | Q | 55.5 | Low | 56.5 | Low | 87 Ų | 87 | 115 Ų | 115 | 41% | 0.407 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.7 | -47.8 | 173.7 | -84.2 | -169.9 | -37.6 | 0 | 0 | 112.5 | L7 V8 K9 Q13 Q14 V15 | L7-Q11 PolarHBondContact O-N 3.13Å; V8-Q11 WeakPolarHBondContact O-CB 3.49Å; V8-Q11 PolarHBondContact O-N 3.1Å; K9-Q11 VanDerWaalsContact C-N 3.31Å; Q11-Q13 VanDerWaalsContact C-N 3.3Å; Q11-Q13 PolarHBondContact O-N 3.35Å; Q11-Q14 PolarHBondContact O-N 3.34Å; Q11-V15 WeakPolarHBondContact O-CG2 3.4Å; Q11-V15 PolarHBondContact O-N 3.35Å |
| 12 | H | 63 | Low | 56.7 | Low | 138 Ų | 138 | 107.2 Ų | 107.2 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.9 | -36.9 | 178.4 | -87.6 | -44.4 | 0 | 0 | 0 | 112.7 | V8 K9 A16 | V8-H12 PolarHBondContact O-N 3.04Å; K9-H12 PolarHBondContact O-N 2.84Å; H12-A16 WeakPolarHBondContact O-CB 3.39Å; H12-A16 PolarHBondContact O-N 3.27Å; H12-A16 VanDerWaalsContact O-N 3.08Å |
| 13 | Q | 67.2 | Low | 57.2 | Low | 146 Ų | 146 | 102.2 Ų | 102.2 | 68% | 0.682 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -40 | 175.6 | -77.8 | -178.5 | -31 | 0 | 0 | 112.6 | K9 A10 Q11 L17 | K9-Q13 PolarHBondContact O-N 3.42Å; K9-Q13 VanDerWaalsContact O-N 3.09Å; A10-Q13 PolarHBondContact O-N 3.06Å; Q11-Q13 VanDerWaalsContact C-N 3.3Å; Q11-Q13 PolarHBondContact O-N 3.35Å; Q13-L17 WeakPolarHBondContact O-CB 3.43Å; Q13-L17 PolarHBondContact O-N 3.11Å; Q13-L17 VanDerWaalsContact O-N 3.1Å |
| 14 | Q | 57.6 | Low | 57.7 | Low | 137 Ų | 137 | 100.5 Ų | 100.5 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -39.8 | 177.2 | -78.8 | -161.8 | -17.6 | 0 | 0 | 112.7 | A10 Q11 L17 V18 | A10-Q14 PolarHBondContact O-N 3.49Å; Q11-Q14 PolarHBondContact O-N 3.34Å; Q14-L17 PolarHBondContact O-N 3.18Å; Q14-V18 VanDerWaalsContact O-CG2 3.31Å; Q14-V18 WeakPolarHBondContact O-CG2 3.33Å; Q14-V18 PolarHBondContact O-N 3.33Å; Q14-V18 VanDerWaalsContact O-N 3.09Å |
| 15 | V | 56.3 | Low | 57.9 | Low | 76 Ų | 76 | 99.3 Ų | 99.3 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | Q11 L17 V18 E19 | Q11-V15 WeakPolarHBondContact O-CG2 3.4Å; Q11-V15 PolarHBondContact O-N 3.35Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.37Å; V15-V18 PolarHBondContact O-N 3.14Å; V15-E19 HydrophobicContact CG1-CG 4.42Å; V15-E19 WeakPolarHBondContact O-CG 3.48Å; V15-E19 PolarHBondContact O-N 3.49Å |
| 16 | A | 62 | Low | 57.9 | Low | 44 Ų | 44 | 99.6 Ų | 99.6 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -36 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H12 N20 | H12-A16 WeakPolarHBondContact O-CB 3.39Å; H12-A16 PolarHBondContact O-N 3.27Å; H12-A16 VanDerWaalsContact O-N 3.08Å; A16-N20 WeakPolarHBondContact O-CB 3.2Å; A16-N20 PolarHBondContact O-N 2.82Å; A16-N20 PolarHBondContact O-ND2 2.9Å |
| 17 | L | 61.7 | Low | 57.7 | Low | 97 Ų | 97 | 101 Ų | 101 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -32.4 | 179.1 | -155.8 | 145.2 | 0 | 0 | 0 | 112 | Q13 Q14 V15 R21 | Q13-L17 WeakPolarHBondContact O-CB 3.43Å; Q13-L17 PolarHBondContact O-N 3.11Å; Q13-L17 VanDerWaalsContact O-N 3.1Å; Q14-L17 PolarHBondContact O-N 3.18Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.37Å; L17-R21 WeakPolarHBondContact O-CG 3.34Å; L17-R21 PolarHBondContact O-N 3.49Å |
| 18 | V | 55.5 | Low | 57.8 | Low | 79 Ų | 79 | 101 Ų | 101 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.9 | -40.6 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | Q14 V15 R21 A22 | Q14-V18 VanDerWaalsContact O-CG2 3.31Å; Q14-V18 WeakPolarHBondContact O-CG2 3.33Å; Q14-V18 PolarHBondContact O-N 3.33Å; Q14-V18 VanDerWaalsContact O-N 3.09Å; V15-V18 PolarHBondContact O-N 3.14Å; V18-R21 PolarHBondContact O-N 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.4Å; V18-A22 PolarHBondContact O-N 2.87Å |
| 19 | E | 57.7 | Low | 57.3 | Low | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 176.2 | -75.1 | 179.9 | 163.6 | 0 | 0 | 112 | V15 R21 A22 A23 | V15-E19 HydrophobicContact CG1-CG 4.42Å; V15-E19 WeakPolarHBondContact O-CG 3.48Å; V15-E19 PolarHBondContact O-N 3.49Å; E19-R21 PolarHBondContact O-N 3.17Å; E19-A22 PolarHBondContact O-N 3.05Å; E19-A23 PolarHBondContact O-N 2.8Å |
| 20 | N | 60.6 | Low | 56.5 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 176.3 | -75.8 | -19.1 | 0 | 0 | 0 | 112.3 | A16 A22 A23 D24 | A16-N20 WeakPolarHBondContact O-CB 3.2Å; A16-N20 PolarHBondContact O-N 2.82Å; A16-N20 PolarHBondContact O-ND2 2.9Å; N20-A22 VanDerWaalsContact C-N 3.34Å; N20-A23 PolarHBondContact O-N 3.48Å; N20-D24 PolarHBondContact O-N 3.29Å |
| 21 | R | 57.1 | Low | 56.1 | Low | 177 Ų | 177 | 104.1 Ų | 104.1 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.3 | -32.9 | 175.3 | -79.4 | -176.7 | 176.8 | -178.6 | 1.1 | 112.9 | L17 V18 E19 L25 | L17-R21 WeakPolarHBondContact O-CG 3.34Å; L17-R21 PolarHBondContact O-N 3.49Å; V18-R21 PolarHBondContact O-N 3.24Å; E19-R21 PolarHBondContact O-N 3.17Å; R21-L25 WeakPolarHBondContact O-CB 3.44Å; R21-L25 PolarHBondContact O-N 3.14Å; R21-L25 VanDerWaalsContact O-N 3.11Å |
| 22 | A | 53.5 | Low | 55.6 | Low | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.9 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V18 E19 N20 L25 H26 | V18-A22 WeakPolarHBondContact O-CB 3.4Å; V18-A22 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 3.05Å; N20-A22 VanDerWaalsContact C-N 3.34Å; A22-L25 PolarHBondContact O-N 2.91Å; A22-H26 WeakPolarHBondContact O-CB 3.3Å; A22-H26 PolarHBondContact O-N 3.21Å |
| 23 | A | 56.6 | Low | 54.5 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.3 | -46.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E19 N20 L25 H26 D27 | E19-A23 PolarHBondContact O-N 2.8Å; N20-A23 PolarHBondContact O-N 3.48Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L25 PolarHBondContact O-N 3.23Å; A23-H26 PolarHBondContact O-N 3.42Å; A23-H26 VanDerWaalsContact O-N 3.1Å; A23-D27 PolarHBondContact O-N 3.4Å |
| 24 | D | 57.6 | Low | 53.5 | Low | 111 Ų | 111 | 100.8 Ų | 100.8 | 59% | 0.594 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.5 | -41.4 | 174.5 | -88.9 | -17.9 | 0 | 0 | 0 | 111.6 | N20 H26 D27 T28 | N20-D24 PolarHBondContact O-N 3.29Å; D24-H26 VanDerWaalsContact C-N 3.32Å; D24-H26 PolarHBondContact O-N 2.83Å; D24-D27 PolarHBondContact O-N 3.41Å; D24-T28 WeakPolarHBondContact O-CB 3.32Å; D24-T28 PolarHBondContact O-N 2.98Å; D24-T28 PolarHBondContact O-OG1 3.46Å |
| 25 | L | 52.6 | Low | 52.9 | Low | 97 Ų | 97 | 104.5 Ų | 104.5 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.6 | -35.2 | 177.8 | -142.1 | 81.2 | 0 | 0 | 0 | 111.9 | R21 A22 A23 V29 | R21-L25 WeakPolarHBondContact O-CB 3.44Å; R21-L25 PolarHBondContact O-N 3.14Å; R21-L25 VanDerWaalsContact O-N 3.11Å; A22-L25 PolarHBondContact O-N 2.91Å; A23-L25 VanDerWaalsContact C-N 3.29Å; A23-L25 PolarHBondContact O-N 3.23Å; L25-V29 WeakPolarHBondContact O-CG2 3.29Å; L25-V29 PolarHBondContact O-N 2.82Å |
| 26 | H | 52 | Low | 52.1 | Low | 117 Ų | 117 | 109.4 Ų | 109.4 | 54% | 0.542 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -71.8 | -38.2 | 178.7 | -164.7 | -84.1 | 0 | 0 | 0 | 112 | A22 A23 D24 V29 M30 | A22-H26 WeakPolarHBondContact O-CB 3.3Å; A22-H26 PolarHBondContact O-N 3.21Å; A23-H26 PolarHBondContact O-N 3.42Å; A23-H26 VanDerWaalsContact O-N 3.1Å; D24-H26 VanDerWaalsContact C-N 3.32Å; D24-H26 PolarHBondContact O-N 2.83Å; H26-V29 PolarHBondContact O-N 3.48Å; H26-M30 PolarHBondContact O-N 3.26Å; H26-M30 VanDerWaalsContact O-N 3.16Å |
| 27 | D | 52.6 | Low | 51.2 | Low | 101 Ų | 101 | 110.5 Ų | 110.5 | 54% | 0.54 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74.5 | -31.3 | 176.2 | -79.6 | -13 | 0 | 0 | 0 | 112.7 | A23 D24 V29 M30 T31 | A23-D27 PolarHBondContact O-N 3.4Å; D24-D27 PolarHBondContact O-N 3.41Å; D27-V29 VanDerWaalsContact C-N 3.25Å; D27-V29 PolarHBondContact O-N 3.25Å; D27-M30 PolarHBondContact O-N 2.93Å; D27-T31 PolarHBondContact O-N 3.48Å; D27-T31 PolarHBondContact O-OG1 3.27Å |
| 28 | T | 52.7 | Low | 50.6 | Low | 95 Ų | 95 | 111.4 Ų | 111.4 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.3 | -30.5 | 172.2 | -47.2 | 0 | 0 | 0 | 0 | 111.5 | D24 | D24-T28 WeakPolarHBondContact O-CB 3.32Å; D24-T28 PolarHBondContact O-N 2.98Å; D24-T28 PolarHBondContact O-OG1 3.46Å |
| 29 | V | 47.7 | Very low | 50.1 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -78.6 | -31.8 | 177 | 170.8 | 0 | 0 | 0 | 0 | 112.2 | L25 H26 D27 | L25-V29 WeakPolarHBondContact O-CG2 3.29Å; L25-V29 PolarHBondContact O-N 2.82Å; H26-V29 PolarHBondContact O-N 3.48Å; D27-V29 VanDerWaalsContact C-N 3.25Å; D27-V29 PolarHBondContact O-N 3.25Å |
| 30 | M | 47.4 | Very low | 49.3 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 70% | 0.704 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.2 | -18.2 | -179.8 | -80.3 | -81.1 | -166.9 | 0 | 0 | 114.4 | H26 D27 | H26-M30 PolarHBondContact O-N 3.26Å; H26-M30 VanDerWaalsContact O-N 3.16Å; D27-M30 PolarHBondContact O-N 2.93Å |
| 31 | T | 52.3 | Low | 48.5 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -98.2 | -6.4 | -175.8 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | D27 N33 | D27-T31 PolarHBondContact O-N 3.48Å; D27-T31 PolarHBondContact O-OG1 3.27Å; T31-N33 PolarHBondContact O-N 2.85Å; T31-N33 VanDerWaalsContact O-N 3.12Å |
| 32 | S | 43.7 | Very low | 47.8 | Very low | 69 Ų | 69 | 112.6 Ų | 112.6 | 48% | 0.483 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -87.6 | 73.8 | -180 | 171.6 | 0 | 0 | 0 | 0 | 112.4 | G34 | S32-G34 PolarHBondContact O-N 2.84Š|
| 33 | N | 40.1 | Very low | 47.2 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 28.9 | 76.4 | 147.9 | -69 | -31 | 0 | 0 | 0 | 118.2 | T31 R35 | T31-N33 PolarHBondContact O-N 2.85Å; T31-N33 VanDerWaalsContact O-N 3.12Å; N33-R35 WeakPolarHBondContact O-CG 3.47Å; N33-R35 PolarHBondContact O-N 3.48Å |
| 34 | G | 46.7 | Very low | 46.5 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 96% | 0.959 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.7 | 21.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | S32 | S32-G34 PolarHBondContact O-N 2.84Š|
| 35 | R | 45.3 | Very low | 45.6 | Very low | 214 Ų | 214 | 113 Ų | 113 | 81% | 0.808 | 61% | 0.613 | S | S | * | * | trans | -113.9 | 136.4 | -179.4 | -76 | -178 | 177.9 | -178.2 | 0.3 | 108.3 | N33 L37 | N33-R35 WeakPolarHBondContact O-CG 3.47Å; N33-R35 PolarHBondContact O-N 3.48Å; R35-L37 WeakPolarHBondContact O-CD1 3.34Å; R35-L37 PolarHBondContact O-N 3.37Å | ||
| 36 | L | 38.1 | Very low | 45 | Very low | 179 Ų | 179 | 117.5 Ų | 117.5 | 94% | 0.937 | 62% | 0.623 | S | S | * | * | trans | -46.9 | 107.3 | 174 | -95.5 | 75.8 | 0 | 0 | 0 | 109.8 | ||||
| 37 | L | 44.7 | Very low | 44.2 | Very low | 68 Ų | 68 | 117.1 Ų | 117.1 | 36% | 0.356 | 62% | 0.623 | S | S | . | * | trans | -74 | 130 | 169.5 | -90.3 | 83 | 0 | 0 | 0 | 108.8 | R35 E41 | R35-L37 WeakPolarHBondContact O-CD1 3.34Å; R35-L37 PolarHBondContact O-N 3.37Å; L37-E41 HydrophobicContact CB-CB 4.47Å; L37-E41 WeakPolarHBondContact CB-OE2 3.37Å; L37-E41 HydrophobicContact CD2-CB 4.05Å; L37-E41 WeakPolarHBondContact CD2-OE2 3.5Å; L37-E41 WeakPolarHBondContact CG-OE2 3.3Å | ||
| 38 | D | 47.4 | Very low | 43.5 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 62% | 0.62 | 62% | 0.618 | S | S | * | * | trans | -55.2 | 148.2 | -179 | -87 | -50.2 | 0 | 0 | 0 | 112 | L40 E41 | D38-L40 PolarHBondContact O-N 2.88Å; D38-E41 PolarHBondContact O-N 2.93Å | ||
| 39 | P | 45.8 | Very low | 42.9 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -12.5 | 179.5 | 21.7 | -31.5 | 0 | 0 | 0 | 114.1 | ||
| 40 | L | 41.8 | Very low | 42.4 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -35.7 | 171.9 | -120.3 | 88.9 | 0 | 0 | 0 | 112.9 | D38 Y42 L43 V44 | D38-L40 PolarHBondContact O-N 2.88Å; L40-Y42 VanDerWaalsContact C-N 3.33Å; L40-Y42 PolarHBondContact O-N 3.35Å; L40-L43 VanDerWaalsContact O-CB 3.32Å; L40-L43 WeakPolarHBondContact O-CB 3.34Å; L40-L43 PolarHBondContact O-N 2.91Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L40-V44 PolarHBondContact O-N 2.9Å |
| 41 | E | 42.8 | Very low | 42 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 51% | 0.505 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -19.4 | -177 | -71.7 | -179.4 | 139.6 | 0 | 0 | 112.5 | L37 D38 P45 | L37-E41 HydrophobicContact CB-CB 4.47Å; L37-E41 WeakPolarHBondContact CB-OE2 3.37Å; L37-E41 HydrophobicContact CD2-CB 4.05Å; L37-E41 WeakPolarHBondContact CD2-OE2 3.5Å; L37-E41 WeakPolarHBondContact CG-OE2 3.3Å; D38-E41 PolarHBondContact O-N 2.93Å; E41-P45 WeakPolarHBondContact O-CD 3.41Å; E41-P45 WeakPolarHBondContact O-CG 3.27Å |
| 42 | Y | 42.1 | Very low | 41.9 | Very low | 178 Ų | 178 | 111.4 Ų | 111.4 | 70% | 0.698 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -23 | 165.4 | -100 | -88.8 | 0 | 0 | 0 | 113.1 | L40 R46 | L40-Y42 VanDerWaalsContact C-N 3.33Å; L40-Y42 PolarHBondContact O-N 3.35Å; Y42-R46 WeakPolarHBondContact O-CB 3.46Å |
| 43 | L | 40.9 | Very low | 42.1 | Very low | 87 Ų | 87 | 113 Ų | 113 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -80.1 | -33 | -177.3 | -120.2 | 141.2 | 0 | 0 | 0 | 111.4 | L40 R46 M47 | L40-L43 VanDerWaalsContact O-CB 3.32Å; L40-L43 WeakPolarHBondContact O-CB 3.34Å; L40-L43 PolarHBondContact O-N 2.91Å; L40-L43 VanDerWaalsContact O-N 3.08Å; L43-R46 PolarHBondContact O-N 3.46Å; L43-M47 HydrophobicContact CD2-CE 3.66Å; L43-M47 HydrophobicContact CD2-CG 4.02Å; L43-M47 VanDerWaalsContact O-CB 3.25Å; L43-M47 WeakPolarHBondContact O-CB 3.31Å; L43-M47 WeakPolarHBondContact O-CG 3.3Å; L43-M47 PolarHBondContact O-N 3.41Å |
| 44 | V | 41.5 | Very low | 42.4 | Very low | 79 Ų | 79 | 115 Ų | 115 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.7 | -50 | -179.2 | 177.3 | 0 | 0 | 0 | 0 | 112.6 | L40 R46 M47 L48 | L40-V44 PolarHBondContact O-N 2.9Å; V44-R46 VanDerWaalsContact C-N 3.25Å; V44-R46 PolarHBondContact O-N 3.42Å; V44-M47 PolarHBondContact O-N 3.2Å; V44-L48 HydrophobicContact CG1-CD1 3.6Å; V44-L48 WeakPolarHBondContact O-CB 3.23Å; V44-L48 VanDerWaalsContact O-CD1 3.27Å; V44-L48 WeakPolarHBondContact O-CD1 3.42Å; V44-L48 PolarHBondContact O-N 2.98Å |
| 45 | P | 40.4 | Very low | 42.4 | Very low | 64 Ų | 64 | 112.7 Ų | 112.7 | 42% | 0.416 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -32.4 | 175.2 | -19.7 | 30.6 | 0 | 0 | 0 | 112.3 | E41 L48 S49 | E41-P45 WeakPolarHBondContact O-CD 3.41Å; E41-P45 WeakPolarHBondContact O-CG 3.27Å; P45-L48 PolarHBondContact O-N 3.38Å; P45-S49 WeakPolarHBondContact O-CB 3.35Å; P45-S49 PolarHBondContact O-N 3.23Å |
| 46 | R | 39.5 | Very low | 42.5 | Very low | 190 Ų | 190 | 105 Ų | 105 | 72% | 0.717 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.8 | -37.8 | 179.6 | -149.7 | 169.5 | -172.2 | 160.4 | 0.9 | 111.8 | Y42 L43 V44 S49 S50 | Y42-R46 WeakPolarHBondContact O-CB 3.46Å; L43-R46 PolarHBondContact O-N 3.46Å; V44-R46 VanDerWaalsContact C-N 3.25Å; V44-R46 PolarHBondContact O-N 3.42Å; R46-S49 PolarHBondContact O-N 2.93Å; R46-S49 PolarHBondContact O-OG 2.89Å; R46-S50 PolarHBondContact O-N 3.01Å; R46-S50 PolarHBondContact O-OG 3.29Å |
| 47 | M | 34.7 | Very low | 43.2 | Very low | 110 Ų | 110 | 100.2 Ų | 100.2 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 169.3 | -75.2 | -82.5 | -172.8 | 0 | 0 | 111.6 | L43 V44 S50 M51 | L43-M47 HydrophobicContact CD2-CE 3.66Å; L43-M47 HydrophobicContact CD2-CG 4.02Å; L43-M47 VanDerWaalsContact O-CB 3.25Å; L43-M47 WeakPolarHBondContact O-CB 3.31Å; L43-M47 WeakPolarHBondContact O-CG 3.3Å; L43-M47 PolarHBondContact O-N 3.41Å; V44-M47 PolarHBondContact O-N 3.2Å; M47-S50 WeakPolarHBondContact CA-OG 3.24Å; M47-S50 PolarHBondContact O-N 3.32Å; M47-S50 PolarHBondContact O-OG 3.21Å; M47-M51 WeakPolarHBondContact O-CB 3.46Å; M47-M51 VanDerWaalsContact O-CG 3.29Å; M47-M51 WeakPolarHBondContact O-CG 3.39Å; M47-M51 PolarHBondContact O-N 2.99Å |
| 48 | L | 38.2 | Very low | 43.6 | Very low | 86 Ų | 86 | 99.3 Ų | 99.3 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 172.1 | -95.7 | 109.9 | 0 | 0 | 0 | 111.7 | V44 P45 M51 N52 | V44-L48 HydrophobicContact CG1-CD1 3.6Å; V44-L48 WeakPolarHBondContact O-CB 3.23Å; V44-L48 VanDerWaalsContact O-CD1 3.27Å; V44-L48 WeakPolarHBondContact O-CD1 3.42Å; V44-L48 PolarHBondContact O-N 2.98Å; P45-L48 PolarHBondContact O-N 3.38Å; L48-M51 PolarHBondContact O-N 3.45Å; L48-N52 VanDerWaalsContact O-CB 3.32Å; L48-N52 WeakPolarHBondContact O-CB 3.49Å; L48-N52 VanDerWaalsContact O-CG 3.25Å; L48-N52 PolarHBondContact O-N 2.93Å; L48-N52 PolarHBondContact O-ND2 3.3Å |
| 49 | S | 40.3 | Very low | 43.8 | Very low | 57 Ų | 57 | 101.1 Ų | 101.1 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 174.6 | 85.7 | 0 | 0 | 0 | 0 | 111.9 | P45 R46 N52 L53 | P45-S49 WeakPolarHBondContact O-CB 3.35Å; P45-S49 PolarHBondContact O-N 3.23Å; R46-S49 PolarHBondContact O-N 2.93Å; R46-S49 PolarHBondContact O-OG 2.89Å; S49-N52 PolarHBondContact O-N 2.98Å; S49-L53 WeakPolarHBondContact O-CB 3.41Å; S49-L53 PolarHBondContact O-N 2.95Å |
| 50 | S | 37.2 | Very low | 44.3 | Very low | 41 Ų | 41 | 100.7 Ų | 100.7 | 29% | 0.287 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.5 | -39.8 | 176.9 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | R46 M47 N52 L53 W54 | R46-S50 PolarHBondContact O-N 3.01Å; R46-S50 PolarHBondContact O-OG 3.29Å; M47-S50 WeakPolarHBondContact CA-OG 3.24Å; M47-S50 PolarHBondContact O-N 3.32Å; M47-S50 PolarHBondContact O-OG 3.21Å; S50-N52 VanDerWaalsContact C-N 3.34Å; S50-N52 PolarHBondContact O-N 3.46Å; S50-L53 CarbonylContact O-C 3.57Å; S50-L53 WeakPolarHBondContact O-CA 3.39Å; S50-L53 WeakPolarHBondContact O-CB 3.49Å; S50-L53 PolarHBondContact O-N 3.46Å; S50-L53 VanDerWaalsContact O-N 3.15Å; S50-W54 PolarHBondContact O-N 3.25Å |
| 51 | M | 38.8 | Very low | 44.8 | Very low | 137 Ų | 137 | 100.3 Ų | 100.3 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 172.3 | -77.3 | -165.4 | 142.2 | 0 | 0 | 112.5 | M47 L48 L53 W54 A55 | M47-M51 WeakPolarHBondContact O-CB 3.46Å; M47-M51 VanDerWaalsContact O-CG 3.29Å; M47-M51 WeakPolarHBondContact O-CG 3.39Å; M47-M51 PolarHBondContact O-N 2.99Å; L48-M51 PolarHBondContact O-N 3.45Å; M51-L53 VanDerWaalsContact C-N 3.34Å; M51-W54 PolarHBondContact O-N 3.44Å; M51-A55 VanDerWaalsContact O-CB 3.23Å; M51-A55 WeakPolarHBondContact O-CB 3.38Å; M51-A55 PolarHBondContact O-N 3.44Å |
| 52 | N | 50.4 | Low | 45.3 | Very low | 92 Ų | 92 | 98.8 Ų | 98.8 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | 172.7 | -77.3 | -17.4 | 0 | 0 | 0 | 112 | L48 S49 S50 S56 | L48-N52 VanDerWaalsContact O-CB 3.32Å; L48-N52 WeakPolarHBondContact O-CB 3.49Å; L48-N52 VanDerWaalsContact O-CG 3.25Å; L48-N52 PolarHBondContact O-N 2.93Å; L48-N52 PolarHBondContact O-ND2 3.3Å; S49-N52 PolarHBondContact O-N 2.98Å; S50-N52 VanDerWaalsContact C-N 3.34Å; S50-N52 PolarHBondContact O-N 3.46Å; N52-S56 VanDerWaalsContact O-CB 3.24Å; N52-S56 WeakPolarHBondContact O-CB 3.44Å; N52-S56 PolarHBondContact O-N 2.93Å; N52-S56 PolarHBondContact O-OG 3.37Å |
| 53 | L | 47.8 | Very low | 45.7 | Very low | 102 Ų | 102 | 93.5 Ų | 93.5 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 171 | -100.6 | 149.4 | 0 | 0 | 0 | 112.1 | S49 S50 M51 S56 L57 | S49-L53 WeakPolarHBondContact O-CB 3.41Å; S49-L53 PolarHBondContact O-N 2.95Å; S50-L53 CarbonylContact O-C 3.57Å; S50-L53 WeakPolarHBondContact O-CA 3.39Å; S50-L53 WeakPolarHBondContact O-CB 3.49Å; S50-L53 PolarHBondContact O-N 3.46Å; S50-L53 VanDerWaalsContact O-N 3.15Å; M51-L53 VanDerWaalsContact C-N 3.34Å; L53-S56 WeakPolarHBondContact CA-OG 3.22Å; L53-S56 PolarHBondContact O-OG 3.13Å; L53-L57 VanDerWaalsContact O-CB 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 WeakPolarHBondContact O-CD1 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.06Å; L53-L57 PolarHBondContact O-N 2.89Å |
| 54 | W | 46.7 | Very low | 46.3 | Very low | 181 Ų | 181 | 91.1 Ų | 91.1 | 69% | 0.686 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.8 | -38.8 | 177.1 | -74.3 | 108.4 | 0 | 0 | 0 | 112.4 | S50 M51 L57 A58 | S50-W54 PolarHBondContact O-N 3.25Å; M51-W54 PolarHBondContact O-N 3.44Å; W54-L57 PolarHBondContact O-N 3.35Å; W54-A58 VanDerWaalsContact O-CB 3.27Å; W54-A58 WeakPolarHBondContact O-CB 3.39Å; W54-A58 PolarHBondContact O-N 3.18Å |
| 55 | A | 46.6 | Very low | 46.7 | Very low | 44 Ų | 44 | 92.6 Ų | 92.6 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | M51 L57 A58 W59 | M51-A55 VanDerWaalsContact O-CB 3.23Å; M51-A55 WeakPolarHBondContact O-CB 3.38Å; M51-A55 PolarHBondContact O-N 3.44Å; A55-L57 VanDerWaalsContact C-N 3.35Å; A55-L57 PolarHBondContact O-N 3.37Å; A55-A58 PolarHBondContact O-N 3.15Å; A55-W59 WeakPolarHBondContact O-CB 3.27Å; A55-W59 PolarHBondContact O-N 2.88Å |
| 56 | S | 47.5 | Very low | 47.2 | Very low | 52 Ų | 52 | 95.8 Ų | 95.8 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 175.4 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | N52 L53 W59 I60 | N52-S56 VanDerWaalsContact O-CB 3.24Å; N52-S56 WeakPolarHBondContact O-CB 3.44Å; N52-S56 PolarHBondContact O-N 2.93Å; N52-S56 PolarHBondContact O-OG 3.37Å; L53-S56 WeakPolarHBondContact CA-OG 3.22Å; L53-S56 PolarHBondContact O-OG 3.13Å; S56-W59 PolarHBondContact O-N 2.91Å; S56-I60 WeakPolarHBondContact O-CB 3.16Å; S56-I60 WeakPolarHBondContact O-CD1 3.16Å; S56-I60 WeakPolarHBondContact O-CG1 3.43Å; S56-I60 PolarHBondContact O-N 3.45Å |
| 57 | L | 52.3 | Low | 47.7 | Very low | 79 Ų | 79 | 93.1 Ų | 93.1 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 172.1 | -76.3 | 167.6 | 0 | 0 | 0 | 112.5 | L53 W54 A55 W59 K61 | L53-L57 VanDerWaalsContact O-CB 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 WeakPolarHBondContact O-CD1 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.06Å; L53-L57 PolarHBondContact O-N 2.89Å; W54-L57 PolarHBondContact O-N 3.35Å; A55-L57 VanDerWaalsContact C-N 3.35Å; A55-L57 PolarHBondContact O-N 3.37Å; L57-W59 VanDerWaalsContact C-N 3.35Å; L57-K61 WeakPolarHBondContact O-CB 3.38Å; L57-K61 VanDerWaalsContact O-CG 3.29Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.43Å |
| 58 | A | 52.9 | Low | 48.5 | Very low | 50 Ų | 50 | 89.4 Ų | 89.4 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W54 A55 K61 C62 | W54-A58 VanDerWaalsContact O-CB 3.27Å; W54-A58 WeakPolarHBondContact O-CB 3.39Å; W54-A58 PolarHBondContact O-N 3.18Å; A55-A58 PolarHBondContact O-N 3.15Å; A58-K61 WeakPolarHBondContact O-CB 3.33Å; A58-K61 PolarHBondContact O-N 2.96Å; A58-C62 PolarHBondContact O-N 3.4Å |
| 59 | W | 51.5 | Low | 49.1 | Very low | 153 Ų | 153 | 90 Ų | 90 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.2 | -40.7 | 174.4 | -85.6 | 107.9 | 0 | 0 | 0 | 112.5 | A55 S56 L57 K61 C62 L63 | A55-W59 WeakPolarHBondContact O-CB 3.27Å; A55-W59 PolarHBondContact O-N 2.88Å; S56-W59 PolarHBondContact O-N 2.91Å; L57-W59 VanDerWaalsContact C-N 3.35Å; W59-K61 VanDerWaalsContact C-N 3.29Å; W59-K61 PolarHBondContact O-N 3.31Å; W59-C62 PolarHBondContact O-N 3.13Å; W59-L63 WeakPolarHBondContact O-CB 3.14Å; W59-L63 WeakPolarHBondContact O-CG 3.41Å; W59-L63 PolarHBondContact O-N 3.02Å |
| 60 | I | 55.9 | Low | 49.6 | Very low | 91 Ų | 91 | 89.7 Ų | 89.7 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 172 | -69.7 | 162.3 | 0 | 0 | 0 | 109.8 | S56 C64 | S56-I60 WeakPolarHBondContact O-CB 3.16Å; S56-I60 WeakPolarHBondContact O-CD1 3.16Å; S56-I60 WeakPolarHBondContact O-CG1 3.43Å; S56-I60 PolarHBondContact O-N 3.45Å; I60-C64 WeakPolarHBondContact O-CB 3.37Å; I60-C64 PolarHBondContact O-N 2.87Å; I60-C64 PolarHBondContact O-SG 2.71Å |
| 61 | K | 53.8 | Low | 50.3 | Low | 126 Ų | 126 | 93.6 Ų | 93.6 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 171.2 | -79 | 174.8 | 179.6 | 179.5 | 0 | 111.6 | L57 A58 W59 L65 | L57-K61 WeakPolarHBondContact O-CB 3.38Å; L57-K61 VanDerWaalsContact O-CG 3.29Å; L57-K61 WeakPolarHBondContact O-CG 3.48Å; L57-K61 PolarHBondContact O-N 3.43Å; A58-K61 WeakPolarHBondContact O-CB 3.33Å; A58-K61 PolarHBondContact O-N 2.96Å; W59-K61 VanDerWaalsContact C-N 3.29Å; W59-K61 PolarHBondContact O-N 3.31Å; K61-L65 WeakPolarHBondContact O-CB 3.42Å; K61-L65 PolarHBondContact O-N 2.72Å |
| 62 | C | 52 | Low | 50.8 | Low | 75 Ų | 75 | 89.3 Ų | 89.3 | 51% | 0.507 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 177.2 | -80 | 0 | 0 | 0 | 0 | 112.8 | A58 W59 L65 E66 | A58-C62 PolarHBondContact O-N 3.4Å; W59-C62 PolarHBondContact O-N 3.13Å; C62-L65 CarbonylContact O-C 3.57Å; C62-L65 WeakPolarHBondContact O-CA 3.43Å; C62-L65 WeakPolarHBondContact O-CB 3.5Å; C62-L65 PolarHBondContact O-N 2.88Å; C62-L65 VanDerWaalsContact O-N 3.11Å; C62-E66 WeakPolarHBondContact O-CB 3.36Å; C62-E66 PolarHBondContact O-N 2.87Å |
| 63 | L | 51.3 | Low | 50.9 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.356 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 177.2 | -75.9 | 166.2 | 0 | 0 | 0 | 111.6 | W59 L65 E66 M67 | W59-L63 WeakPolarHBondContact O-CB 3.14Å; W59-L63 WeakPolarHBondContact O-CG 3.41Å; W59-L63 PolarHBondContact O-N 3.02Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-E66 PolarHBondContact O-N 3.25Å; L63-M67 WeakPolarHBondContact O-CB 3.4Å; L63-M67 WeakPolarHBondContact O-CG 3.46Å; L63-M67 PolarHBondContact O-N 2.78Å |
| 64 | C | 52.6 | Low | 51.1 | Low | 36 Ų | 36 | 92.5 Ų | 92.5 | 24% | 0.243 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 170 | -78.3 | 0 | 0 | 0 | 0 | 111 | I60 N68 | I60-C64 WeakPolarHBondContact O-CB 3.37Å; I60-C64 PolarHBondContact O-N 2.87Å; I60-C64 PolarHBondContact O-SG 2.71Å; C64-N68 WeakPolarHBondContact O-CB 3.36Å; C64-N68 PolarHBondContact O-N 2.83Å; C64-N68 PolarHBondContact O-ND2 2.71Å |
| 65 | L | 51.5 | Low | 51.3 | Low | 111 Ų | 111 | 88.7 Ų | 88.7 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 176.3 | -134.1 | 94.4 | 0 | 0 | 0 | 110.6 | K61 C62 L63 L69 | K61-L65 WeakPolarHBondContact O-CB 3.42Å; K61-L65 PolarHBondContact O-N 2.72Å; C62-L65 CarbonylContact O-C 3.57Å; C62-L65 WeakPolarHBondContact O-CA 3.43Å; C62-L65 WeakPolarHBondContact O-CB 3.5Å; C62-L65 PolarHBondContact O-N 2.88Å; C62-L65 VanDerWaalsContact O-N 3.11Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L65-L69 HydrophobicContact CB-CD1 4.37Å; L65-L69 HydrophobicContact CD2-CD1 3.73Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 WeakPolarHBondContact O-CA 3.45Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 VanDerWaalsContact O-CD1 3.24Å; L65-L69 WeakPolarHBondContact O-CD1 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 3.42Å |
| 66 | E | 50.1 | Low | 51.6 | Low | 130 Ų | 130 | 89.1 Ų | 89.1 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71 | -42.6 | -176 | -159.5 | 176 | -167.7 | 0 | 0 | 111.9 | C62 L63 G70 | C62-E66 WeakPolarHBondContact O-CB 3.36Å; C62-E66 PolarHBondContact O-N 2.87Å; L63-E66 PolarHBondContact O-N 3.25Å; E66-G70 PolarHBondContact O-N 3.33Å |
| 67 | M | 50.6 | Low | 51.7 | Low | 135 Ų | 135 | 92.4 Ų | 92.4 | 67% | 0.665 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.8 | -40.6 | 174.1 | -72.8 | -160 | 76.4 | 0 | 0 | 112.3 | L63 G70 L71 | L63-M67 WeakPolarHBondContact O-CB 3.4Å; L63-M67 WeakPolarHBondContact O-CG 3.46Å; L63-M67 PolarHBondContact O-N 2.78Å; M67-G70 PolarHBondContact O-N 3.12Å; M67-L71 PolarHBondContact O-N 3.27Å; M67-L71 VanDerWaalsContact O-N 3.13Å |
| 68 | N | 51.7 | Low | 51.6 | Low | 32 Ų | 32 | 91.5 Ų | 91.5 | 17% | 0.171 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -72.4 | -35.7 | 176.3 | -69.8 | -49.2 | 0 | 0 | 0 | 111.2 | C64 G70 L71 L72 C159 | C64-N68 WeakPolarHBondContact O-CB 3.36Å; C64-N68 PolarHBondContact O-N 2.83Å; C64-N68 PolarHBondContact O-ND2 2.71Å; N68-G70 VanDerWaalsContact C-N 3.3Å; N68-G70 PolarHBondContact O-N 3.28Å; N68-L71 PolarHBondContact O-N 2.96Å; N68-L72 HydrophobicContact CB-CD1 3.9Å; N68-L72 WeakPolarHBondContact O-CA 3.48Å; N68-L72 WeakPolarHBondContact O-CB 3.41Å; N68-L72 WeakPolarHBondContact O-CD1 3.12Å; N68-L72 PolarHBondContact O-N 3.38Å; N68-C159 PolarHBondContact ND2-SG 3.45Å |
| 69 | L | 49 | Very low | 51.4 | Low | 99 Ų | 99 | 94.6 Ų | 94.6 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -31.3 | 173.6 | -79.1 | 159.6 | 0 | 0 | 0 | 111.9 | L65 R73 | L65-L69 HydrophobicContact CB-CD1 4.37Å; L65-L69 HydrophobicContact CD2-CD1 3.73Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 WeakPolarHBondContact O-CA 3.45Å; L65-L69 WeakPolarHBondContact O-CB 3.4Å; L65-L69 VanDerWaalsContact O-CD1 3.24Å; L65-L69 WeakPolarHBondContact O-CD1 3.31Å; L65-L69 WeakPolarHBondContact O-CG 3.38Å; L65-L69 PolarHBondContact O-N 3.42Å; L69-R73 WeakPolarHBondContact O-CA 3.24Å; L69-R73 VanDerWaalsContact O-CB 3.24Å; L69-R73 WeakPolarHBondContact O-CB 3.1Å; L69-R73 PolarHBondContact O-N 3.29Å |
| 70 | G | 51.9 | Low | 51.2 | Low | 50 Ų | 50 | 89 Ų | 89 | 52% | 0.515 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E66 M67 N68 | E66-G70 PolarHBondContact O-N 3.33Å; M67-G70 PolarHBondContact O-N 3.12Å; N68-G70 VanDerWaalsContact C-N 3.3Å; N68-G70 PolarHBondContact O-N 3.28Å |
| 71 | L | 51.6 | Low | 50.5 | Low | 123 Ų | 123 | 90.8 Ų | 90.8 | 64% | 0.644 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -81.2 | -32.7 | 178.6 | -105.5 | 147.3 | 0 | 0 | 0 | 113.5 | M67 N68 P74 | M67-L71 PolarHBondContact O-N 3.27Å; M67-L71 VanDerWaalsContact O-N 3.13Å; N68-L71 PolarHBondContact O-N 2.96Å; L71-P74 WeakPolarHBondContact O-CD 3.44Å |
| 72 | L | 50.4 | Low | 50 | Low | 46 Ų | 46 | 91.6 Ų | 91.6 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -85 | -12.7 | 175.3 | -85.9 | 119.7 | 0 | 0 | 0 | 112.5 | N68 L75 L76 | N68-L72 HydrophobicContact CB-CD1 3.9Å; N68-L72 WeakPolarHBondContact O-CA 3.48Å; N68-L72 WeakPolarHBondContact O-CB 3.41Å; N68-L72 WeakPolarHBondContact O-CD1 3.12Å; N68-L72 PolarHBondContact O-N 3.38Å; L72-L75 CarbonylContact O-C 3.6Å; L72-L75 PolarHBondContact O-N 2.89Å; L72-L75 VanDerWaalsContact O-N 3.15Å; L72-L76 HydrophobicContact CB-CD1 3.79Å; L72-L76 HydrophobicContact CD2-CD1 3.75Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 WeakPolarHBondContact O-CB 3.03Å; L72-L76 PolarHBondContact O-N 3.24Å |
| 73 | R | 52.3 | Low | 49.4 | Very low | 182 Ų | 182 | 95.4 Ų | 95.4 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -52.1 | -50.2 | 175.9 | -141.4 | -178.7 | -170.2 | -160.7 | 2.2 | 113.2 | L69 Q77 | L69-R73 WeakPolarHBondContact O-CA 3.24Å; L69-R73 VanDerWaalsContact O-CB 3.24Å; L69-R73 WeakPolarHBondContact O-CB 3.1Å; L69-R73 PolarHBondContact O-N 3.29Å; R73-Q77 WeakPolarHBondContact O-CB 3.08Å; R73-Q77 PolarHBondContact O-N 2.95Å |
| 74 | P | 50.8 | Low | 48.9 | Very low | 79 Ų | 79 | 97.8 Ų | 97.8 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.6 | -34.3 | 177.4 | 25.9 | -33.7 | 0 | 0 | 0 | 112.7 | L71 Q77 S78 | L71-P74 WeakPolarHBondContact O-CD 3.44Å; P74-Q77 PolarHBondContact O-N 2.94Å; P74-S78 PolarHBondContact O-N 3.03Å; P74-S78 PolarHBondContact O-OG 3.49Å |
| 75 | L | 52.2 | Low | 48.2 | Very low | 102 Ų | 102 | 101.7 Ų | 101.7 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71 | -39.3 | 178.4 | -80.1 | 164.7 | 0 | 0 | 0 | 112.8 | L72 S78 L79 | L72-L75 CarbonylContact O-C 3.6Å; L72-L75 PolarHBondContact O-N 2.89Å; L72-L75 VanDerWaalsContact O-N 3.15Å; L75-S78 WeakPolarHBondContact CA-OG 3.38Å; L75-S78 PolarHBondContact O-OG 3.38Å; L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 WeakPolarHBondContact O-CD1 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.49Å; L75-L79 PolarHBondContact O-N 2.98Å |
| 76 | L | 51.2 | Low | 47.6 | Very low | 53 Ų | 53 | 103 Ų | 103 | 28% | 0.277 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 169.5 | -99.8 | 102.1 | 0 | 0 | 0 | 109.7 | L72 S78 L79 L80 M147 | L72-L76 HydrophobicContact CB-CD1 3.79Å; L72-L76 HydrophobicContact CD2-CD1 3.75Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 WeakPolarHBondContact O-CB 3.03Å; L72-L76 PolarHBondContact O-N 3.24Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.25Å; L76-L79 PolarHBondContact O-N 2.98Å; L76-L80 HydrophobicContact CB-CD1 4.33Å; L76-L80 HydrophobicContact CD2-CD1 4.23Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.46Å; L76-M147 HydrophobicContact CD2-CE 3.72Å |
| 77 | Q | 50.2 | Low | 47.1 | Very low | 120 Ų | 120 | 99.8 Ų | 99.8 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | 176 | -98.7 | 177.4 | -42.4 | 0 | 0 | 112.8 | R73 P74 L80 L81 | R73-Q77 WeakPolarHBondContact O-CB 3.08Å; R73-Q77 PolarHBondContact O-N 2.95Å; P74-Q77 PolarHBondContact O-N 2.94Å; Q77-L80 PolarHBondContact O-N 2.89Å; Q77-L81 WeakPolarHBondContact O-CB 3.29Å; Q77-L81 WeakPolarHBondContact O-CD1 3.37Å; Q77-L81 PolarHBondContact O-N 3.17Å |
| 78 | S | 51.2 | Low | 46.4 | Very low | 61 Ų | 61 | 102 Ų | 102 | 43% | 0.427 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 175.8 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | P74 L75 L76 L80 E82 | P74-S78 PolarHBondContact O-N 3.03Å; P74-S78 PolarHBondContact O-OG 3.49Å; L75-S78 WeakPolarHBondContact CA-OG 3.38Å; L75-S78 PolarHBondContact O-OG 3.38Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 3.25Å; S78-L80 VanDerWaalsContact C-N 3.33Å; S78-E82 PolarHBondContact O-N 3.43Å |
| 79 | L | 48.4 | Very low | 45.6 | Very low | 114 Ų | 114 | 105.9 Ų | 105.9 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.6 | -31.1 | 176.3 | -82.6 | 159.7 | 0 | 0 | 0 | 112.5 | L75 L76 Y83 | L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 WeakPolarHBondContact O-CD1 3.47Å; L75-L79 WeakPolarHBondContact O-CG 3.49Å; L75-L79 PolarHBondContact O-N 2.98Å; L76-L79 PolarHBondContact O-N 2.98Å; L79-Y83 PolarHBondContact O-N 2.98Å |
| 80 | L | 45.9 | Very low | 45.1 | Very low | 35 Ų | 35 | 109.5 Ų | 109.5 | 18% | 0.183 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -79.4 | -35.8 | 179.6 | -70.2 | 177.4 | 0 | 0 | 0 | 112.2 | L76 Q77 S78 E82 Y83 D84 W145 M147 | L76-L80 HydrophobicContact CB-CD1 4.33Å; L76-L80 HydrophobicContact CD2-CD1 4.23Å; L76-L80 WeakPolarHBondContact O-CB 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.46Å; Q77-L80 PolarHBondContact O-N 2.89Å; S78-L80 VanDerWaalsContact C-N 3.33Å; L80-E82 PolarHBondContact O-N 3.4Å; L80-Y83 PolarHBondContact O-N 3.34Å; L80-D84 WeakPolarHBondContact O-CB 3.39Å; L80-D84 PolarHBondContact O-N 3.45Å; L80-W145 HydrophobicContact CB-CH2 4.01Å; L80-W145 HydrophobicContact CD1-CD2 4.49Å; L80-W145 HydrophobicContact CD1-CE3 4.49Å; L80-W145 HydrophobicContact CD1-CH2 3.91Å; L80-W145 HydrophobicContact CD1-CZ2 3.87Å; L80-W145 HydrophobicContact CD1-CZ3 4.27Å; L80-W145 HydrophobicContact CD2-CD2 4.25Å; L80-W145 HydrophobicContact CD2-CE3 3.47Å; L80-W145 VanDerWaalsContact CD2-CE3 3.47Å; L80-W145 HydrophobicContact CD2-CH2 3.26Å; L80-W145 HydrophobicContact CD2-CZ2 4.06Å; L80-W145 HydrophobicContact CD2-CZ3 2.95Å; L80-W145 HydrophobicContact CG-CH2 3.88Å; L80-W145 HydrophobicContact CG-CZ2 4.36Å; L80-W145 HydrophobicContact CG-CZ3 4.05Å; L80-M147 HydrophobicContact CD2-CE 3.68Å; L80-M147 HydrophobicContact CG-CE 4.45Å |
| 81 | L | 41.9 | Very low | 44.3 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.3 | -30.8 | 171.3 | -107.6 | 103.6 | 0 | 0 | 0 | 112.2 | Q77 V85 | Q77-L81 WeakPolarHBondContact O-CB 3.29Å; Q77-L81 WeakPolarHBondContact O-CD1 3.37Å; Q77-L81 PolarHBondContact O-N 3.17Å; L81-V85 WeakPolarHBondContact O-CG2 3.41Å |
| 82 | E | 43.5 | Very low | 43.6 | Very low | 143 Ų | 143 | 114.2 Ų | 114.2 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -84.3 | -21.4 | 179.4 | -152.9 | 159.9 | -160.6 | 0 | 0 | 112.4 | S78 L80 | S78-E82 PolarHBondContact O-N 3.43Å; L80-E82 PolarHBondContact O-N 3.4Å |
| 83 | Y | 39.3 | Very low | 43.1 | Very low | 156 Ų | 156 | 117 Ų | 117 | 61% | 0.612 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -83.8 | -36.8 | 174.8 | -136.2 | -92.9 | 0 | 0 | 0 | 112.5 | L79 L80 V85 N86 T87 | L79-Y83 PolarHBondContact O-N 2.98Å; L80-Y83 PolarHBondContact O-N 3.34Å; Y83-V85 VanDerWaalsContact C-N 3.26Å; Y83-V85 PolarHBondContact O-N 3.33Å; Y83-N86 PolarHBondContact O-N 3.09Å; Y83-T87 HydrophobicContact CE1-CG2 4.46Å; Y83-T87 PolarHBondContact O-N 2.91Å; Y83-T87 PolarHBondContact O-OG1 3.05Å; Y83-T87 VanDerWaalsContact O-OG1 3.06Å |
| 84 | D | 40.4 | Very low | 42.4 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -16.4 | -175.7 | -146.1 | 14.1 | 0 | 0 | 0 | 113.5 | L80 | L80-D84 WeakPolarHBondContact O-CB 3.39Å; L80-D84 PolarHBondContact O-N 3.45Å |
| 85 | V | 39.2 | Very low | 41.8 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -15.7 | 174.7 | -179 | 0 | 0 | 0 | 0 | 112.3 | L81 Y83 | L81-V85 WeakPolarHBondContact O-CG2 3.41Å; Y83-V85 VanDerWaalsContact C-N 3.26Å; Y83-V85 PolarHBondContact O-N 3.33Å |
| 86 | N | 38.5 | Very low | 41.1 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 0.3 | -176.3 | -78.9 | -35.7 | 0 | 0 | 0 | 114.5 | Y83 | Y83-N86 PolarHBondContact O-N 3.09Š|
| 87 | T | 39.2 | Very low | 40.6 | Very low | 63 Ų | 63 | 132 Ų | 132 | 39% | 0.387 | 67% | 0.666 | S | S | . | * | trans | -124.9 | 75.6 | 173.8 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | Y83 C89 | Y83-T87 HydrophobicContact CE1-CG2 4.46Å; Y83-T87 PolarHBondContact O-N 2.91Å; Y83-T87 PolarHBondContact O-OG1 3.05Å; Y83-T87 VanDerWaalsContact O-OG1 3.06Å; T87-C89 PolarHBondContact O-N 3.1Å | ||
| 88 | E | 35.4 | Very low | 40.1 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 68% | 0.683 | S | S | * | * | trans | -58.5 | 95.2 | 149.6 | -76 | -175.5 | 158.5 | 0 | 0 | 107.2 | H90 | E88-H90 PolarHBondContact O-N 3.39Š| ||
| 89 | C | 35.4 | Very low | 39.3 | Very low | 114 Ų | 114 | 142 Ų | 142 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | -61.6 | 98.4 | 173.3 | -79.1 | 0 | 0 | 0 | 0 | 108.6 | T87 L91 | T87-C89 PolarHBondContact O-N 3.1Å; C89-L91 PolarHBondContact O-N 3.08Å; C89-L91 VanDerWaalsContact O-N 3.09Å | ||
| 90 | H | 37.5 | Very low | 38.8 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | -51.4 | 116 | 164.7 | -91.6 | -79.2 | 0 | 0 | 0 | 109.4 | E88 P92 | E88-H90 PolarHBondContact O-N 3.39Å; H90-P92 VanDerWaalsContact C-CD 3.45Å; H90-P92 WeakPolarHBondContact O-CD 3.32Å | ||
| 91 | L | 35.8 | Very low | 38.4 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 93% | 0.932 | 74% | 0.736 | S | S | * | * | trans | -77.5 | 88.7 | 173.8 | -161.6 | 81.2 | 0 | 0 | 0 | 108.9 | C89 | C89-L91 PolarHBondContact O-N 3.08Å; C89-L91 VanDerWaalsContact O-N 3.09Å | ||
| 92 | P | 36.2 | Very low | 38 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | trans | -144.9 | 174.5 | 131.6 | 32.8 | -14 | 0 | 0 | 0 | 111.7 | H90 | H90-P92 VanDerWaalsContact C-CD 3.45Å; H90-P92 WeakPolarHBondContact O-CD 3.32Å | ||
| 93 | D | 41 | Very low | 37.8 | Very low | 104 Ų | 104 | 148 Ų | 148 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | trans | 90.3 | 16.8 | 169.1 | -57.5 | -21.6 | 0 | 0 | 0 | 120 | Q95 M96 | D93-Q95 PolarHBondContact O-N 3.48Å; D93-M96 HydrophobicContact CB-CB 4.38Å; D93-M96 PolarHBondContact O-N 2.92Å | ||
| 94 | Y | 37.7 | Very low | 37.5 | Very low | 232 Ų | 232 | 150.2 Ų | 150.2 | 91% | 0.91 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -7.1 | 163.9 | -126.8 | -91 | 0 | 0 | 0 | 114 | ||
| 95 | Q | 37.3 | Very low | 37.3 | Very low | 185 Ų | 185 | 149.3 Ų | 149.3 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -14.8 | 175.3 | -70.8 | -161.8 | -12 | 0 | 0 | 115.1 | D93 | D93-Q95 PolarHBondContact O-N 3.48Š|
| 96 | M | 37.9 | Very low | 37.3 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -84.1 | -16.3 | -176.9 | -84.4 | -159.1 | 176.4 | 0 | 0 | 114.6 | D93 R98 | D93-M96 HydrophobicContact CB-CB 4.38Å; D93-M96 PolarHBondContact O-N 2.92Å; M96-R98 PolarHBondContact O-N 3.09Å |
| 97 | Q | 40.4 | Very low | 37.3 | Very low | 169 Ų | 169 | 154.2 Ų | 154.2 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -80.2 | -9.9 | -175.2 | -108.6 | -179.7 | -3.2 | 0 | 0 | 115.6 | N99 | Q97-N99 PolarHBondContact O-N 3.01Š|
| 98 | R | 39.5 | Very low | 37.3 | Very low | 240 Ų | 240 | 160.3 Ų | 160.3 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -70.5 | -15.3 | 177 | -84 | -171.3 | -171.4 | 177.5 | 4.1 | 114.3 | M96 | M96-R98 PolarHBondContact O-N 3.09Š|
| 99 | N | 34.8 | Very low | 37.3 | Very low | 153 Ų | 153 | 158.4 Ų | 158.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -104.8 | -2.3 | -177.3 | -74.1 | -16.2 | 0 | 0 | 0 | 114.5 | Q97 R101 | Q97-N99 PolarHBondContact O-N 3.01Å; N99-R101 PolarHBondContact O-N 3.36Å |
| 100 | A | 38.8 | Very low | 37.3 | Very low | 79 Ų | 79 | 160.6 Ų | 160.6 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | trans | -83.9 | 85.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S102 | A100-S102 PolarHBondContact O-N 3.26Š| ||
| 101 | R | 37.1 | Very low | 37.4 | Very low | 229 Ų | 229 | 158.7 Ų | 158.7 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -55.7 | 104.9 | 174.8 | -147.2 | 178.4 | -156.2 | 171.6 | 4.8 | 111.1 | N99 | N99-R101 PolarHBondContact O-N 3.36Š| ||
| 102 | S | 32.9 | Very low | 37.5 | Very low | 102 Ų | 102 | 153.7 Ų | 153.7 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | 36 | 95.2 | 151 | 71.4 | 0 | 0 | 0 | 0 | 118.5 | A100 | A100-S102 PolarHBondContact O-N 3.26Š| ||
| 103 | T | 38.9 | Very low | 37.4 | Very low | 136 Ų | 136 | 154.2 Ų | 154.2 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -144 | 24.5 | 155.8 | 8.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 104 | Y | 34.2 | Very low | 37.1 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -103.9 | 130.2 | 172.1 | -78.3 | -83.1 | 0 | 0 | 0 | 110.7 | K106 | Y104-K106 PolarHBondContact O-N 3.44Å; Y104-K106 VanDerWaalsContact O-N 3.14Å |
| 105 | P | 35.7 | Very low | 37.1 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -64.2 | 117.8 | 179.3 | 25 | -30.7 | 0 | 0 | 0 | 109.3 | F107 | P105-F107 PolarHBondContact O-N 3.33Š| ||
| 106 | K | 39.7 | Very low | 37 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | 9.4 | -179.8 | -78.5 | 178.7 | 172.3 | 178.4 | 0 | 116.1 | Y104 W108 | Y104-K106 PolarHBondContact O-N 3.44Å; Y104-K106 VanDerWaalsContact O-N 3.14Å; K106-W108 PolarHBondContact O-N 3.03Å |
| 107 | F | 37.1 | Very low | 36.8 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -17.7 | -174.2 | -110.1 | -88.9 | 0 | 0 | 0 | 114.5 | P105 | P105-F107 PolarHBondContact O-N 3.33Š|
| 108 | W | 39.2 | Very low | 36.5 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -95.8 | -15.2 | -174.3 | -73.1 | 78.5 | 0 | 0 | 0 | 114.9 | K106 H110 | K106-W108 PolarHBondContact O-N 3.03Å; W108-H110 VanDerWaalsContact C-N 3.32Å; W108-H110 PolarHBondContact O-N 3.19Å |
| 109 | H | 36.7 | Very low | 36.2 | Very low | 141 Ų | 141 | 140 Ų | 140 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -11.7 | 176.6 | -85.8 | -65.4 | 0 | 0 | 0 | 114.4 | N113 | H109-N113 VanDerWaalsContact O-CG 3.28Å; H109-N113 PolarHBondContact O-ND2 2.92Å |
| 110 | H | 34.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -12.9 | -178.6 | -100.9 | -76.3 | 0 | 0 | 0 | 114.6 | W108 | W108-H110 VanDerWaalsContact C-N 3.32Å; W108-H110 PolarHBondContact O-N 3.19Å |
| 111 | I | 40 | Very low | 36.3 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -26.4 | -179.6 | -59.9 | 174.8 | 0 | 0 | 0 | 111.3 | ||
| 112 | S | 37.7 | Very low | 36.2 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 52% | 0.517 | 74% | 0.74 | S | S | . | * | G | 310 helix | trans | -80.3 | -15.9 | 175.1 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 113 | N | 35.2 | Very low | 36.5 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 56% | 0.561 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -88.5 | -1.6 | -178.2 | -70.8 | -0.6 | 0 | 0 | 0 | 113.3 | H109 | H109-N113 VanDerWaalsContact O-CG 3.28Å; H109-N113 PolarHBondContact O-ND2 2.92Å |
| 114 | G | 33.6 | Very low | 36.3 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -88 | -3.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 115 | L | 38.4 | Very low | 36.4 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -109.9 | 17.3 | 176.4 | -89.3 | 147.1 | 0 | 0 | 0 | 112.3 | P117 | L115-P117 WeakPolarHBondContact O-CD 3.24Š|
| 116 | W | 35.1 | Very low | 36.7 | Very low | 206 Ų | 206 | 148 Ų | 148 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -99.1 | 78.5 | 175.8 | -148.8 | -81.4 | 0 | 0 | 0 | 111.4 | ||||
| 117 | P | 33.9 | Very low | 37 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 59% | 0.591 | 76% | 0.756 | S | S | * | * | trans | -125.1 | 149.8 | 151.9 | 39.2 | -28.2 | 0 | 0 | 0 | 110.3 | L115 | L115-P117 WeakPolarHBondContact O-CD 3.24Š| ||
| 118 | L | 33.6 | Very low | 37 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 101.8 | 9.8 | 157.7 | -51.1 | 161.9 | 0 | 0 | 0 | 119.8 | ||
| 119 | G | 33.1 | Very low | 37 | Very low | 69 Ų | 69 | 143.6 Ų | 143.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -106.5 | -28.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 120 | Q | 37 | Very low | 37.2 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -144.7 | 29.2 | -160 | -75.7 | -171.8 | -23.6 | 0 | 0 | 116.1 | E122 | Q120-E122 PolarHBondContact O-N 3.18Š| ||
| 121 | I | 39.3 | Very low | 37.2 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -97.6 | 77.9 | 170.3 | -51 | 172.6 | 0 | 0 | 0 | 107.9 | ||||
| 122 | E | 33.8 | Very low | 36.8 | Very low | 182 Ų | 182 | 150 Ų | 150 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -174.4 | 141.5 | 153.7 | -109.4 | 165.9 | -171.7 | 0 | 0 | 109.5 | Q120 | Q120-E122 PolarHBondContact O-N 3.18Š|
| 123 | S | 40 | Very low | 37 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 77.2 | 71.2 | 178.8 | 70.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 124 | S | 34.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | trans | -124.8 | 58 | 152.5 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 125 | E | 36.8 | Very low | 37.1 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -144.5 | 89.3 | 166.6 | -74.8 | -172.5 | 163.4 | 0 | 0 | 107.6 | ||||
| 126 | R | 40.7 | Very low | 36.8 | Very low | 215 Ų | 215 | 158.9 Ų | 158.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | 168.2 | 120.7 | 141.7 | -100.3 | -177.5 | 176.7 | 152.1 | 7.2 | 112.4 | ||||
| 127 | E | 46.5 | Very low | 36.5 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | 57 | 96.4 | 129.3 | -65.5 | 164.6 | 166.2 | 0 | 0 | 115.5 | |||||
| 128 | E | 37.3 | Very low | 36.3 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | 34.3 | 89.4 | 89.5 | -78.5 | -170.9 | 165.1 | 0 | 0 | 112.6 | |||||
| 129 | S | 39.2 | Very low | 36.3 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | 164.9 | 144.9 | 127 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 130 | K | 40.1 | Very low | 36.2 | Very low | 203 Ų | 203 | 150.2 Ų | 150.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 78.9 | 101.7 | 163.1 | -75.3 | 177.5 | 170.4 | 179.5 | 0 | 117.8 | ||||
| 131 | E | 34.9 | Very low | 35.9 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -52.6 | 154.2 | 157.8 | -67 | 169.6 | 141.4 | 0 | 0 | 112.4 | ||||
| 132 | E | 32.1 | Very low | 35.7 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 76.2 | 100 | 177.1 | -60.6 | -176.1 | 159.3 | 0 | 0 | 115.8 | ||||
| 133 | I | 41.7 | Very low | 35.6 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | 177.3 | 119.9 | 127.1 | -81.7 | 147.7 | 0 | 0 | 0 | 108.9 | |||||
| 134 | E | 31.9 | Very low | 35.6 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | 44.2 | 121.3 | 157.9 | -64.3 | -174.9 | 151.8 | 0 | 0 | 121.9 | I136 | E134-I136 VanDerWaalsContact C-N 3.31Å; E134-I136 HydrophobicContact CB-CG1 4.28Å; E134-I136 PolarHBondContact O-N 3.42Å | ||
| 135 | P | 39.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -82.7 | 77.1 | 167.7 | 36.2 | -30.3 | 0 | 0 | 0 | 109.7 | G137 | P135-G137 PolarHBondContact O-N 3.3Å; P135-G137 VanDerWaalsContact O-N 3.15Å | ||
| 136 | I | 31.8 | Very low | 36 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -85.1 | 70.7 | 159.5 | -50.9 | 173.3 | 0 | 0 | 0 | 106.5 | E134 | E134-I136 VanDerWaalsContact C-N 3.31Å; E134-I136 HydrophobicContact CB-CG1 4.28Å; E134-I136 PolarHBondContact O-N 3.42Å | ||
| 137 | G | 28.7 | Very low | 36.4 | Very low | 52 Ų | 52 | 131.5 Ų | 131.5 | 54% | 0.536 | 73% | 0.732 | S | S | . | * | trans | -126.6 | 105 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P135 V139 | P135-G137 PolarHBondContact O-N 3.3Å; P135-G137 VanDerWaalsContact O-N 3.15Å; G137-V139 WeakPolarHBondContact O-CG2 3.32Å; G137-V139 PolarHBondContact O-N 3.06Å | ||
| 138 | A | 30 | Very low | 36.7 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 90% | 0.901 | 72% | 0.717 | S | S | * | * | trans | -48.9 | 97.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | G140 | A138-G140 PolarHBondContact O-N 3.25Š| ||
| 139 | V | 33.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -77.1 | 93.9 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 107 | G137 S141 | G137-V139 WeakPolarHBondContact O-CG2 3.32Å; G137-V139 PolarHBondContact O-N 3.06Å; V139-S141 VanDerWaalsContact C-N 3.32Å; V139-S141 PolarHBondContact O-N 2.97Å | ||
| 140 | G | 30.8 | Very low | 38 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | trans | -56.6 | 98.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | A138 T142 | A138-G140 PolarHBondContact O-N 3.25Å; G140-T142 PolarHBondContact O-N 3.35Å | ||
| 141 | S | 30.4 | Very low | 39 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | trans | -59.4 | 99 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | V139 V143 | V139-S141 VanDerWaalsContact C-N 3.32Å; V139-S141 PolarHBondContact O-N 2.97Å; S141-V143 VanDerWaalsContact C-N 3.28Å; S141-V143 PolarHBondContact O-N 3.19Å | ||
| 142 | T | 35.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 113.5 Ų | 113.5 | 73% | 0.73 | 66% | 0.658 | S | S | * | * | trans | -74.1 | 90.6 | 164.1 | 52.7 | 0 | 0 | 0 | 0 | 106.9 | G140 C144 | G140-T142 PolarHBondContact O-N 3.35Å; T142-C144 VanDerWaalsContact C-N 3.32Å; T142-C144 PolarHBondContact O-N 2.81Å | ||
| 143 | V | 33.3 | Very low | 41.4 | Very low | 88 Ų | 88 | 110 Ų | 110 | 53% | 0.533 | 64% | 0.642 | S | S | . | * | trans | -63.3 | 98.9 | 168.3 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | S141 W145 | S141-V143 VanDerWaalsContact C-N 3.28Å; S141-V143 PolarHBondContact O-N 3.19Å; V143-W145 HydrophobicContact CG1-CD2 4.12Å; V143-W145 HydrophobicContact CG1-CG 4.13Å; V143-W145 HydrophobicContact CG1-CZ2 4.29Å; V143-W145 PolarHBondContact O-N 2.74Å | ||
| 144 | C | 38.2 | Very low | 42.4 | Very low | 117 Ų | 117 | 104.8 Ų | 104.8 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | trans | -68.5 | 88.3 | 166.6 | -80.2 | 0 | 0 | 0 | 0 | 107.5 | T142 Q146 | T142-C144 VanDerWaalsContact C-N 3.32Å; T142-C144 PolarHBondContact O-N 2.81Å; C144-Q146 PolarHBondContact O-N 2.86Å | ||
| 145 | W | 37.4 | Very low | 44.1 | Very low | 131 Ų | 131 | 100.7 Ų | 100.7 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | trans | -64.4 | 91.1 | 166.2 | -72.7 | 96.1 | 0 | 0 | 0 | 108.2 | L80 V143 M147 | L80-W145 HydrophobicContact CB-CH2 4.01Å; L80-W145 HydrophobicContact CD1-CD2 4.49Å; L80-W145 HydrophobicContact CD1-CE3 4.49Å; L80-W145 HydrophobicContact CD1-CH2 3.91Å; L80-W145 HydrophobicContact CD1-CZ2 3.87Å; L80-W145 HydrophobicContact CD1-CZ3 4.27Å; L80-W145 HydrophobicContact CD2-CD2 4.25Å; L80-W145 HydrophobicContact CD2-CE3 3.47Å; L80-W145 VanDerWaalsContact CD2-CE3 3.47Å; L80-W145 HydrophobicContact CD2-CH2 3.26Å; L80-W145 HydrophobicContact CD2-CZ2 4.06Å; L80-W145 HydrophobicContact CD2-CZ3 2.95Å; L80-W145 HydrophobicContact CG-CH2 3.88Å; L80-W145 HydrophobicContact CG-CZ2 4.36Å; L80-W145 HydrophobicContact CG-CZ3 4.05Å; V143-W145 HydrophobicContact CG1-CD2 4.12Å; V143-W145 HydrophobicContact CG1-CG 4.13Å; V143-W145 HydrophobicContact CG1-CZ2 4.29Å; V143-W145 PolarHBondContact O-N 2.74Å; W145-M147 HydrophobicContact CE3-CE 4.32Å; W145-M147 PolarHBondContact O-N 3.11Å | ||
| 146 | Q | 42.5 | Very low | 45.4 | Very low | 173 Ų | 173 | 101 Ų | 101 | 81% | 0.808 | 59% | 0.589 | S | S | * | * | trans | -75.9 | 75.1 | 169.9 | -161.8 | 167.7 | 2.4 | 0 | 0 | 107.7 | C144 | C144-Q146 PolarHBondContact O-N 2.86Š| ||
| 147 | M | 50.1 | Low | 47.1 | Very low | 55 Ų | 55 | 98.5 Ų | 98.5 | 27% | 0.271 | 57% | 0.573 | S | S | . | * | trans | -60.2 | 124.9 | 167.3 | -74.9 | -70.6 | 173.1 | 0 | 0 | 107 | L76 L80 W145 T149 V152 | L76-M147 HydrophobicContact CD2-CE 3.72Å; L80-M147 HydrophobicContact CD2-CE 3.68Å; L80-M147 HydrophobicContact CG-CE 4.45Å; W145-M147 HydrophobicContact CE3-CE 4.32Å; W145-M147 PolarHBondContact O-N 3.11Å; M147-T149 PolarHBondContact O-N 3.18Å; M147-V152 HydrophobicContact CB-CG2 3.81Å | ||
| 148 | P | 53.4 | Low | 49 | Very low | 61 Ų | 61 | 101.6 Ų | 101.6 | 40% | 0.396 | 57% | 0.574 | S | S | . | * | trans | -55.6 | 132.2 | 177.3 | 22 | -31.6 | 0 | 0 | 0 | 107.8 | Q150 I151 V152 | P148-Q150 PolarHBondContact O-N 2.78Å; P148-I151 HydrophobicContact CG-CB 4.22Å; P148-I151 HydrophobicContact CG-CD1 3.42Å; P148-I151 VanDerWaalsContact CG-CD1 3.42Å; P148-I151 HydrophobicContact CG-CG1 3.72Å; P148-I151 PolarHBondContact O-N 3.48Å; P148-V152 PolarHBondContact O-N 3.37Å | ||
| 149 | T | 52.3 | Low | 51 | Low | 111 Ų | 111 | 97.5 Ų | 97.5 | 68% | 0.681 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -51.1 | -28.2 | -175.4 | 47 | 0 | 0 | 0 | 0 | 112.6 | M147 V152 Q153 | M147-T149 PolarHBondContact O-N 3.18Å; T149-V152 PolarHBondContact O-N 2.96Å; T149-Q153 VanDerWaalsContact O-CB 3.23Å; T149-Q153 WeakPolarHBondContact O-CB 3.43Å; T149-Q153 PolarHBondContact O-N 3.39Å |
| 150 | Q | 50.6 | Low | 52.7 | Low | 152 Ų | 152 | 93.9 Ų | 93.9 | 71% | 0.71 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 173.8 | -62.8 | -178.9 | -8.4 | 0 | 0 | 113.5 | P148 Q153 A154 | P148-Q150 PolarHBondContact O-N 2.78Å; Q150-Q153 PolarHBondContact O-N 3.23Å; Q150-A154 WeakPolarHBondContact O-CB 3.15Å; Q150-A154 PolarHBondContact O-N 3.46Å |
| 151 | I | 61.9 | Low | 54.8 | Low | 78 Ų | 78 | 95.1 Ų | 95.1 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 177.6 | -68.1 | 177.7 | 0 | 0 | 0 | 109.9 | P148 Q153 A154 I155 | P148-I151 HydrophobicContact CG-CB 4.22Å; P148-I151 HydrophobicContact CG-CD1 3.42Å; P148-I151 VanDerWaalsContact CG-CD1 3.42Å; P148-I151 HydrophobicContact CG-CG1 3.72Å; P148-I151 PolarHBondContact O-N 3.48Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 2.97Å; I151-A154 PolarHBondContact O-N 2.97Å; I151-I155 HydrophobicContact CG2-CD1 3.74Å; I151-I155 HydrophobicContact CG2-CG1 4.35Å; I151-I155 VanDerWaalsContact O-CG1 3.27Å; I151-I155 WeakPolarHBondContact O-CG1 3.23Å; I151-I155 PolarHBondContact O-N 3.35Å |
| 152 | V | 58.5 | Low | 57 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 177.1 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | M147 P148 T149 I155 W156 | M147-V152 HydrophobicContact CB-CG2 3.81Å; P148-V152 PolarHBondContact O-N 3.37Å; T149-V152 PolarHBondContact O-N 2.96Å; V152-I155 PolarHBondContact O-N 2.96Å; V152-W156 WeakPolarHBondContact O-CB 3.34Å; V152-W156 PolarHBondContact O-N 2.87Å |
| 153 | Q | 59.3 | Low | 58.9 | Low | 107 Ų | 107 | 90.4 Ų | 90.4 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 177.1 | -173.9 | 175.2 | -2.2 | 0 | 0 | 112 | T149 Q150 I151 W156 F157 | T149-Q153 VanDerWaalsContact O-CB 3.23Å; T149-Q153 WeakPolarHBondContact O-CB 3.43Å; T149-Q153 PolarHBondContact O-N 3.39Å; Q150-Q153 PolarHBondContact O-N 3.23Å; I151-Q153 VanDerWaalsContact C-N 3.29Å; I151-Q153 PolarHBondContact O-N 2.97Å; Q153-W156 WeakPolarHBondContact O-CB 3.35Å; Q153-W156 PolarHBondContact O-N 3.33Å; Q153-F157 HydrophobicContact CG-CD2 3.88Å; Q153-F157 HydrophobicContact CG-CE2 3.5Å; Q153-F157 VanDerWaalsContact CG-CE2 3.5Å; Q153-F157 HydrophobicContact CG-CZ 4.43Å; Q153-F157 WeakPolarHBondContact O-CD2 3.44Å; Q153-F157 PolarHBondContact O-N 2.77Å |
| 154 | A | 62.6 | Low | 60.9 | Low | 52 Ų | 52 | 89.4 Ų | 89.4 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q150 I151 W156 F157 M158 | Q150-A154 WeakPolarHBondContact O-CB 3.15Å; Q150-A154 PolarHBondContact O-N 3.46Å; I151-A154 PolarHBondContact O-N 2.97Å; A154-W156 VanDerWaalsContact C-N 3.26Å; A154-W156 PolarHBondContact O-N 2.88Å; A154-F157 PolarHBondContact O-N 3.33Å; A154-M158 VanDerWaalsContact O-CG 3.31Å; A154-M158 WeakPolarHBondContact O-CG 3.49Å; A154-M158 PolarHBondContact O-N 3.19Å |
| 155 | I | 67.3 | Low | 62.8 | Low | 62 Ų | 62 | 88 Ų | 88 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 175.3 | -68 | 167.9 | 0 | 0 | 0 | 110 | I151 V152 M158 C159 | I151-I155 HydrophobicContact CG2-CD1 3.74Å; I151-I155 HydrophobicContact CG2-CG1 4.35Å; I151-I155 VanDerWaalsContact O-CG1 3.27Å; I151-I155 WeakPolarHBondContact O-CG1 3.23Å; I151-I155 PolarHBondContact O-N 3.35Å; V152-I155 PolarHBondContact O-N 2.96Å; I155-M158 PolarHBondContact O-N 3.46Å; I155-C159 PolarHBondContact O-N 3.1Å; I155-C159 PolarHBondContact O-SG 3.05Å |
| 156 | W | 65.6 | Low | 64.8 | Low | 140 Ų | 140 | 87 Ų | 87 | 53% | 0.53 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 178.5 | -171.7 | 79.8 | 0 | 0 | 0 | 112.4 | V152 Q153 A154 M158 C159 V160 | V152-W156 WeakPolarHBondContact O-CB 3.34Å; V152-W156 PolarHBondContact O-N 2.87Å; Q153-W156 WeakPolarHBondContact O-CB 3.35Å; Q153-W156 PolarHBondContact O-N 3.33Å; A154-W156 VanDerWaalsContact C-N 3.26Å; A154-W156 PolarHBondContact O-N 2.88Å; W156-M158 VanDerWaalsContact C-N 3.35Å; W156-M158 PolarHBondContact O-N 2.84Å; W156-C159 PolarHBondContact O-N 2.71Å; W156-V160 HydrophobicContact CD2-CG2 4.23Å; W156-V160 HydrophobicContact CE3-CG2 4.34Å; W156-V160 HydrophobicContact CH2-CG2 4.2Å; W156-V160 HydrophobicContact CZ2-CG2 4.07Å; W156-V160 HydrophobicContact CZ3-CG2 4.33Å; W156-V160 WeakPolarHBondContact O-CG2 3.23Å; W156-V160 PolarHBondContact O-N 3.36Å |
| 157 | F | 67.2 | Low | 66.5 | Low | 102 Ų | 102 | 84.7 Ų | 84.7 | 45% | 0.447 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175 | -78.2 | -59.4 | 0 | 0 | 0 | 112.3 | Q153 A154 C159 V160 I161 | Q153-F157 HydrophobicContact CG-CD2 3.88Å; Q153-F157 HydrophobicContact CG-CE2 3.5Å; Q153-F157 VanDerWaalsContact CG-CE2 3.5Å; Q153-F157 HydrophobicContact CG-CZ 4.43Å; Q153-F157 WeakPolarHBondContact O-CD2 3.44Å; Q153-F157 PolarHBondContact O-N 2.77Å; A154-F157 PolarHBondContact O-N 3.33Å; F157-C159 VanDerWaalsContact C-N 3.33Å; F157-C159 PolarHBondContact O-N 2.8Å; F157-V160 PolarHBondContact O-N 2.81Å; F157-I161 VanDerWaalsContact O-CG1 3.3Å; F157-I161 WeakPolarHBondContact O-CG1 3.46Å; F157-I161 PolarHBondContact O-N 3.16Å |
| 158 | M | 69.8 | Low | 67.9 | Low | 116 Ų | 116 | 87.8 Ų | 87.8 | 57% | 0.571 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 176.9 | -66.5 | -62.5 | -82.4 | 0 | 0 | 111.6 | A154 I155 W156 V160 I161 I162 | A154-M158 VanDerWaalsContact O-CG 3.31Å; A154-M158 WeakPolarHBondContact O-CG 3.49Å; A154-M158 PolarHBondContact O-N 3.19Å; I155-M158 PolarHBondContact O-N 3.46Å; W156-M158 VanDerWaalsContact C-N 3.35Å; W156-M158 PolarHBondContact O-N 2.84Å; M158-V160 PolarHBondContact O-N 3.46Å; M158-I161 PolarHBondContact O-N 3.36Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.42Å; M158-I162 PolarHBondContact O-N 3.4Å |
| 159 | C | 71 | Confident | 69.2 | Low | 23 Ų | 23 | 89 Ų | 89 | 16% | 0.155 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 176.5 | -66.3 | 0 | 0 | 0 | 0 | 112.7 | N68 I155 W156 F157 S163 | N68-C159 PolarHBondContact ND2-SG 3.45Å; I155-C159 PolarHBondContact O-N 3.1Å; I155-C159 PolarHBondContact O-SG 3.05Å; W156-C159 PolarHBondContact O-N 2.71Å; F157-C159 VanDerWaalsContact C-N 3.33Å; F157-C159 PolarHBondContact O-N 2.8Å; C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 2.97Å; C159-S163 PolarHBondContact O-OG 2.87Å |
| 160 | V | 70 | Confident | 70.4 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | W156 F157 M158 S163 C164 | W156-V160 HydrophobicContact CD2-CG2 4.23Å; W156-V160 HydrophobicContact CE3-CG2 4.34Å; W156-V160 HydrophobicContact CH2-CG2 4.2Å; W156-V160 HydrophobicContact CZ2-CG2 4.07Å; W156-V160 HydrophobicContact CZ3-CG2 4.33Å; W156-V160 WeakPolarHBondContact O-CG2 3.23Å; W156-V160 PolarHBondContact O-N 3.36Å; F157-V160 PolarHBondContact O-N 2.81Å; M158-V160 PolarHBondContact O-N 3.46Å; V160-S163 PolarHBondContact O-N 3.49Å; V160-C164 PolarHBondContact O-N 3.33Å; V160-C164 PolarHBondContact O-SG 2.95Å |
| 161 | I | 74.4 | Confident | 71.7 | Confident | 91 Ų | 91 | 81.9 Ų | 81.9 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 177.7 | -68.5 | 166.3 | 0 | 0 | 0 | 110.8 | F157 M158 S163 C164 I165 | F157-I161 VanDerWaalsContact O-CG1 3.3Å; F157-I161 WeakPolarHBondContact O-CG1 3.46Å; F157-I161 PolarHBondContact O-N 3.16Å; M158-I161 PolarHBondContact O-N 3.36Å; I161-S163 PolarHBondContact O-N 2.91Å; I161-C164 WeakPolarHBondContact O-CB 3.49Å; I161-C164 PolarHBondContact O-N 3.42Å; I161-I165 HydrophobicContact CG2-CD1 3.83Å; I161-I165 HydrophobicContact CG2-CG1 4.47Å; I161-I165 WeakPolarHBondContact O-CG1 3.27Å; I161-I165 PolarHBondContact O-N 3.46Å |
| 162 | I | 77.5 | Confident | 72.3 | Confident | 79 Ų | 79 | 85.8 Ų | 85.8 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 177.9 | -68.6 | 165.8 | 0 | 0 | 0 | 110.6 | M158 C164 I165 L166 | M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.42Å; M158-I162 PolarHBondContact O-N 3.4Å; I162-C164 VanDerWaalsContact C-N 3.33Å; I162-C164 PolarHBondContact O-N 2.81Å; I162-I165 PolarHBondContact O-N 2.93Å; I162-L166 HydrophobicContact CG2-CD1 4.02Å; I162-L166 HydrophobicContact CG2-CG 4.39Å; I162-L166 WeakPolarHBondContact O-CG 3.23Å; I162-L166 PolarHBondContact O-N 2.92Å |
| 163 | S | 74.1 | Confident | 73.2 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 24% | 0.238 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 176.4 | -63 | 0 | 0 | 0 | 0 | 112.3 | C159 V160 I161 L166 L167 | C159-S163 WeakPolarHBondContact O-CB 3.37Å; C159-S163 PolarHBondContact O-N 2.97Å; C159-S163 PolarHBondContact O-OG 2.87Å; V160-S163 PolarHBondContact O-N 3.49Å; I161-S163 PolarHBondContact O-N 2.91Å; S163-L166 PolarHBondContact O-N 3.46Å; S163-L167 WeakPolarHBondContact O-CG 3.45Å; S163-L167 PolarHBondContact O-N 2.8Å |
| 164 | C | 74.6 | Confident | 73.8 | Confident | 68 Ų | 68 | 86.7 Ų | 86.7 | 46% | 0.459 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.6 | -76.6 | 0 | 0 | 0 | 0 | 112.3 | V160 I161 I162 L167 L168 | V160-C164 PolarHBondContact O-N 3.33Å; V160-C164 PolarHBondContact O-SG 2.95Å; I161-C164 WeakPolarHBondContact O-CB 3.49Å; I161-C164 PolarHBondContact O-N 3.42Å; I162-C164 VanDerWaalsContact C-N 3.33Å; I162-C164 PolarHBondContact O-N 2.81Å; C164-L167 PolarHBondContact O-N 3.26Å; C164-L168 WeakPolarHBondContact O-CG 3.39Å; C164-L168 PolarHBondContact O-N 2.82Å |
| 165 | I | 78.2 | Confident | 74.4 | Confident | 87 Ų | 87 | 89.1 Ų | 89.1 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.1 | -68.5 | 168.5 | 0 | 0 | 0 | 110.5 | I161 I162 L167 L168 I169 | I161-I165 HydrophobicContact CG2-CD1 3.83Å; I161-I165 HydrophobicContact CG2-CG1 4.47Å; I161-I165 WeakPolarHBondContact O-CG1 3.27Å; I161-I165 PolarHBondContact O-N 3.46Å; I162-I165 PolarHBondContact O-N 2.93Å; I165-L167 VanDerWaalsContact C-N 3.34Å; I165-L167 PolarHBondContact O-N 3.15Å; I165-L168 PolarHBondContact O-N 3.39Å; I165-I169 HydrophobicContact CG2-CD1 3.73Å; I165-I169 HydrophobicContact CG2-CG1 4.36Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.29Å; I165-I169 PolarHBondContact O-N 2.87Å |
| 166 | L | 80 | Confident | 74.7 | Confident | 111 Ų | 111 | 92.7 Ų | 92.7 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 177.4 | -71.8 | 174.3 | 0 | 0 | 0 | 112.1 | I162 S163 I169 G170 | I162-L166 HydrophobicContact CG2-CD1 4.02Å; I162-L166 HydrophobicContact CG2-CG 4.39Å; I162-L166 WeakPolarHBondContact O-CG 3.23Å; I162-L166 PolarHBondContact O-N 2.92Å; S163-L166 PolarHBondContact O-N 3.46Å; L166-I169 PolarHBondContact O-N 3.11Å; L166-G170 PolarHBondContact O-N 2.61Å |
| 167 | L | 78.5 | Confident | 74.8 | Confident | 124 Ų | 124 | 91 Ų | 91 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 173.3 | -78.9 | 169.8 | 0 | 0 | 0 | 111.8 | S163 C164 I165 I169 G170 V171 | S163-L167 WeakPolarHBondContact O-CG 3.45Å; S163-L167 PolarHBondContact O-N 2.8Å; C164-L167 PolarHBondContact O-N 3.26Å; I165-L167 VanDerWaalsContact C-N 3.34Å; I165-L167 PolarHBondContact O-N 3.15Å; L167-I169 VanDerWaalsContact C-N 3.35Å; L167-I169 PolarHBondContact O-N 3.47Å; L167-G170 PolarHBondContact O-N 3.46Å; L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.2Å; L167-V171 PolarHBondContact O-N 3.46Å |
| 168 | L | 79.2 | Confident | 74.8 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 177.1 | -71.5 | 171.9 | 0 | 0 | 0 | 112.3 | C164 I165 K172 | C164-L168 WeakPolarHBondContact O-CG 3.39Å; C164-L168 PolarHBondContact O-N 2.82Å; I165-L168 PolarHBondContact O-N 3.39Å; L168-K172 WeakPolarHBondContact O-CB 3.27Å; L168-K172 PolarHBondContact O-N 2.96Å |
| 169 | I | 81.3 | Confident | 74.4 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 174.3 | -67.8 | 167.2 | 0 | 0 | 0 | 110 | I165 L166 L167 K172 L173 | I165-I169 HydrophobicContact CG2-CD1 3.73Å; I165-I169 HydrophobicContact CG2-CG1 4.36Å; I165-I169 VanDerWaalsContact O-CG1 3.3Å; I165-I169 WeakPolarHBondContact O-CG1 3.29Å; I165-I169 PolarHBondContact O-N 2.87Å; L166-I169 PolarHBondContact O-N 3.11Å; L167-I169 VanDerWaalsContact C-N 3.35Å; L167-I169 PolarHBondContact O-N 3.47Å; I169-K172 PolarHBondContact O-N 2.87Å; I169-L173 HydrophobicContact CG2-CD1 3.87Å; I169-L173 HydrophobicContact CG2-CG 4.39Å; I169-L173 WeakPolarHBondContact O-CB 2.88Å; I169-L173 WeakPolarHBondContact O-CG 3.17Å; I169-L173 PolarHBondContact O-N 2.9Å |
| 170 | G | 77.2 | Confident | 73.9 | Confident | 31 Ų | 31 | 100.4 Ų | 100.4 | 32% | 0.32 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L166 L167 K172 L173 V174 | L166-G170 PolarHBondContact O-N 2.61Å; L167-G170 PolarHBondContact O-N 3.46Å; G170-K172 PolarHBondContact O-N 2.8Å; G170-L173 PolarHBondContact O-N 3.3Å; G170-V174 WeakPolarHBondContact O-CG2 3.25Å; G170-V174 PolarHBondContact O-N 3.48Å |
| 171 | V | 77.2 | Confident | 73.2 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | L167 L173 V174 L175 | L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.2Å; L167-V171 PolarHBondContact O-N 3.46Å; V171-L173 PolarHBondContact O-N 3.42Å; V171-V174 PolarHBondContact O-N 2.84Å; V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 HydrophobicContact CG1-CG 4.39Å; V171-L175 WeakPolarHBondContact O-CB 3.32Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.46Å; V171-L175 PolarHBondContact O-N 3.44Å |
| 172 | K | 76 | Confident | 72.3 | Confident | 159 Ų | 159 | 99.3 Ų | 99.3 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 175.2 | -86.9 | -169.8 | 170 | -178.9 | 0 | 112.3 | L168 I169 G170 L175 F176 | L168-K172 WeakPolarHBondContact O-CB 3.27Å; L168-K172 PolarHBondContact O-N 2.96Å; I169-K172 PolarHBondContact O-N 2.87Å; G170-K172 PolarHBondContact O-N 2.8Å; K172-L175 PolarHBondContact O-N 3.24Å; K172-F176 WeakPolarHBondContact O-CB 3.32Å; K172-F176 PolarHBondContact O-N 2.82Å |
| 173 | L | 76.8 | Confident | 71.1 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.4 | -79.1 | 166.5 | 0 | 0 | 0 | 111.1 | I169 G170 V171 L175 F176 L177 | I169-L173 HydrophobicContact CG2-CD1 3.87Å; I169-L173 HydrophobicContact CG2-CG 4.39Å; I169-L173 WeakPolarHBondContact O-CB 2.88Å; I169-L173 WeakPolarHBondContact O-CG 3.17Å; I169-L173 PolarHBondContact O-N 2.9Å; G170-L173 PolarHBondContact O-N 3.3Å; V171-L173 PolarHBondContact O-N 3.42Å; L173-L175 PolarHBondContact O-N 3.12Å; L173-F176 PolarHBondContact O-N 3.22Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CD1 3.46Å; L173-L177 PolarHBondContact O-N 2.8Å |
| 174 | V | 72.5 | Confident | 70.4 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62 | -44 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | G170 V171 F176 R178 | G170-V174 WeakPolarHBondContact O-CG2 3.25Å; G170-V174 PolarHBondContact O-N 3.48Å; V171-V174 PolarHBondContact O-N 2.84Å; V174-F176 VanDerWaalsContact C-N 3.35Å; V174-R178 WeakPolarHBondContact O-CB 3.42Å; V174-R178 PolarHBondContact O-N 3.47Å |
| 175 | L | 74.5 | Confident | 69.3 | Low | 103 Ų | 103 | 109.9 Ų | 109.9 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -38.3 | 175.9 | -69.2 | 174.8 | 0 | 0 | 0 | 112.1 | V171 K172 L173 R178 R179 | V171-L175 HydrophobicContact CG1-CD1 4Å; V171-L175 HydrophobicContact CG1-CG 4.39Å; V171-L175 WeakPolarHBondContact O-CB 3.32Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.46Å; V171-L175 PolarHBondContact O-N 3.44Å; K172-L175 PolarHBondContact O-N 3.24Å; L173-L175 PolarHBondContact O-N 3.12Å; L175-R178 PolarHBondContact O-N 2.82Å; L175-R179 PolarHBondContact O-N 3.32Å |
| 176 | F | 73.1 | Confident | 68.3 | Low | 137 Ų | 137 | 108.9 Ų | 108.9 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -44.4 | 177.2 | -175.6 | -93.6 | 0 | 0 | 0 | 111.9 | K172 L173 V174 R179 S180 | K172-F176 WeakPolarHBondContact O-CB 3.32Å; K172-F176 PolarHBondContact O-N 2.82Å; L173-F176 PolarHBondContact O-N 3.22Å; V174-F176 VanDerWaalsContact C-N 3.35Å; F176-R179 PolarHBondContact O-N 2.93Å; F176-S180 WeakPolarHBondContact O-CB 3.01Å; F176-S180 PolarHBondContact O-N 3.31Å; F176-S180 PolarHBondContact O-OG 3.36Å |
| 177 | L | 66.8 | Low | 67.2 | Low | 103 Ų | 103 | 106.4 Ų | 106.4 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 172.8 | -86.1 | 150.5 | 0 | 0 | 0 | 110.9 | L173 R179 S180 C181 | L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 WeakPolarHBondContact O-CD1 3.46Å; L173-L177 PolarHBondContact O-N 2.8Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 3.39Å; L177-S180 PolarHBondContact O-N 3.21Å; L177-C181 WeakPolarHBondContact O-CB 3.06Å; L177-C181 PolarHBondContact O-N 3.28Å; L177-C181 PolarHBondContact O-SG 3.08Å |
| 178 | R | 67.7 | Low | 66.3 | Low | 195 Ų | 195 | 109 Ų | 109 | 74% | 0.736 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 177.4 | -167.2 | 175.4 | -175.3 | 168.1 | 2.3 | 112.2 | V174 L175 A182 | V174-R178 WeakPolarHBondContact O-CB 3.42Å; V174-R178 PolarHBondContact O-N 3.47Å; L175-R178 PolarHBondContact O-N 2.82Å; R178-A182 WeakPolarHBondContact O-CB 3.35Å; R178-A182 PolarHBondContact O-N 3.49Å; R178-A182 VanDerWaalsContact O-N 3.14Å |
| 179 | R | 62.5 | Low | 65.3 | Low | 201 Ų | 201 | 107.5 Ų | 107.5 | 76% | 0.758 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.9 | -44.4 | 173.9 | -105 | -179.9 | 176.3 | 156.7 | -0.8 | 112.2 | L175 F176 L177 A182 T183 | L175-R179 PolarHBondContact O-N 3.32Å; F176-R179 PolarHBondContact O-N 2.93Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 3.39Å; R179-A182 PolarHBondContact O-N 2.96Å; R179-T183 PolarHBondContact O-N 2.69Å; R179-T183 PolarHBondContact O-OG1 2.91Å |
| 180 | S | 60.9 | Low | 64.3 | Low | 43 Ų | 43 | 110.1 Ų | 110.1 | 30% | 0.301 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | -178.8 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | F176 L177 A182 T183 E184 | F176-S180 WeakPolarHBondContact O-CB 3.01Å; F176-S180 PolarHBondContact O-N 3.31Å; F176-S180 PolarHBondContact O-OG 3.36Å; L177-S180 PolarHBondContact O-N 3.21Å; S180-A182 VanDerWaalsContact C-N 3.34Å; S180-A182 PolarHBondContact O-N 3.47Å; S180-T183 WeakPolarHBondContact CA-OG1 3.48Å; S180-T183 PolarHBondContact O-N 2.8Å; S180-T183 PolarHBondContact O-OG1 2.89Å; S180-E184 PolarHBondContact O-N 2.85Å |
| 181 | C | 54.6 | Low | 63.5 | Low | 70 Ų | 70 | 114.2 Ų | 114.2 | 47% | 0.473 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -35.1 | 173.8 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | L177 W185 | L177-C181 WeakPolarHBondContact O-CB 3.06Å; L177-C181 PolarHBondContact O-N 3.28Å; L177-C181 PolarHBondContact O-SG 3.08Å; C181-W185 PolarHBondContact O-N 2.88Å; C181-W185 VanDerWaalsContact O-N 3.17Å |
| 182 | A | 54.3 | Low | 62.5 | Low | 59 Ų | 59 | 116.6 Ų | 116.6 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | R178 R179 S180 S186 | R178-A182 WeakPolarHBondContact O-CB 3.35Å; R178-A182 PolarHBondContact O-N 3.49Å; R178-A182 VanDerWaalsContact O-N 3.14Å; R179-A182 PolarHBondContact O-N 2.96Å; S180-A182 VanDerWaalsContact C-N 3.34Å; S180-A182 PolarHBondContact O-N 3.47Å; A182-S186 PolarHBondContact O-N 2.92Å; A182-S186 VanDerWaalsContact O-N 3.11Å |
| 183 | T | 54.2 | Low | 61.7 | Low | 89 Ų | 89 | 116.3 Ų | 116.3 | 55% | 0.546 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.4 | -35.9 | 178.1 | 48 | 0 | 0 | 0 | 0 | 113.2 | R179 S180 S186 S187 | R179-T183 PolarHBondContact O-N 2.69Å; R179-T183 PolarHBondContact O-OG1 2.91Å; S180-T183 WeakPolarHBondContact CA-OG1 3.48Å; S180-T183 PolarHBondContact O-N 2.8Å; S180-T183 PolarHBondContact O-OG1 2.89Å; T183-S186 PolarHBondContact O-OG 2.9Å; T183-S187 PolarHBondContact O-N 3.04Å |
| 184 | E | 57.6 | Low | 61.2 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.3 | -34.2 | 174.2 | -79 | -167.8 | 152.7 | 0 | 0 | 112.5 | S180 R188 | S180-E184 PolarHBondContact O-N 2.85Å; E184-R188 WeakPolarHBondContact O-CG 3.18Å; E184-R188 PolarHBondContact O-N 2.91Å |
| 185 | W | 52.9 | Low | 60.6 | Low | 188 Ų | 188 | 122.6 Ų | 122.6 | 71% | 0.712 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.1 | -36.3 | 175.2 | -91.6 | 69.1 | 0 | 0 | 0 | 112.6 | C181 R188 I189 | C181-W185 PolarHBondContact O-N 2.88Å; C181-W185 VanDerWaalsContact O-N 3.17Å; W185-R188 PolarHBondContact O-N 3.09Å; W185-I189 HydrophobicContact CE3-CD1 4.4Å; W185-I189 VanDerWaalsContact O-CG1 3.3Å; W185-I189 WeakPolarHBondContact O-CG1 3.15Å; W185-I189 PolarHBondContact O-N 3.19Å; W185-I189 VanDerWaalsContact O-N 3.14Å |
| 186 | S | 56.6 | Low | 59.9 | Low | 67 Ų | 67 | 125.1 Ų | 125.1 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.1 | -39.1 | 179.2 | 83.3 | 0 | 0 | 0 | 0 | 112.3 | A182 T183 I189 E190 | A182-S186 PolarHBondContact O-N 2.92Å; A182-S186 VanDerWaalsContact O-N 3.11Å; T183-S186 PolarHBondContact O-OG 2.9Å; S186-I189 PolarHBondContact O-N 3.47Å; S186-E190 PolarHBondContact O-N 3.46Å; S186-E190 VanDerWaalsContact O-N 3.13Å |
| 187 | S | 57.9 | Low | 59.2 | Low | 59 Ų | 59 | 125.9 Ų | 125.9 | 41% | 0.413 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.6 | -32.8 | 178.7 | 91.8 | 0 | 0 | 0 | 0 | 112.8 | T183 E190 H191 | T183-S187 PolarHBondContact O-N 3.04Å; S187-E190 PolarHBondContact O-N 3.14Å; S187-H191 PolarHBondContact O-N 2.77Å |
| 188 | R | 58.2 | Low | 58.9 | Low | 178 Ų | 178 | 127 Ų | 127 | 67% | 0.672 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.5 | -34.8 | 173.6 | -73.6 | -171.7 | -173.2 | -156.7 | 4 | 112.8 | E184 W185 M192 | E184-R188 WeakPolarHBondContact O-CG 3.18Å; E184-R188 PolarHBondContact O-N 2.91Å; W185-R188 PolarHBondContact O-N 3.09Å; R188-M192 WeakPolarHBondContact O-CB 3.5Å; R188-M192 PolarHBondContact O-N 3.04Å |
| 189 | I | 59.4 | Low | 58.4 | Low | 88 Ų | 88 | 123.4 Ų | 123.4 | 45% | 0.451 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.7 | -37.4 | 177 | -69.1 | 169.3 | 0 | 0 | 0 | 111.1 | W185 S186 M192 K193 | W185-I189 HydrophobicContact CE3-CD1 4.4Å; W185-I189 VanDerWaalsContact O-CG1 3.3Å; W185-I189 WeakPolarHBondContact O-CG1 3.15Å; W185-I189 PolarHBondContact O-N 3.19Å; W185-I189 VanDerWaalsContact O-N 3.14Å; S186-I189 PolarHBondContact O-N 3.47Å; I189-M192 PolarHBondContact O-N 2.89Å; I189-K193 PolarHBondContact O-N 3.23Å |
| 190 | E | 60.5 | Low | 58.2 | Low | 141 Ų | 141 | 119.1 Ų | 119.1 | 66% | 0.659 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66 | -44.1 | 173.4 | -77.2 | -173.8 | 163.6 | 0 | 0 | 111.9 | S186 S187 M192 K193 E194 | S186-E190 PolarHBondContact O-N 3.46Å; S186-E190 VanDerWaalsContact O-N 3.13Å; S187-E190 PolarHBondContact O-N 3.14Å; E190-M192 VanDerWaalsContact C-N 3.31Å; E190-M192 PolarHBondContact O-N 2.86Å; E190-K193 PolarHBondContact O-N 3.05Å; E190-K193 VanDerWaalsContact O-N 3.1Å; E190-E194 PolarHBondContact O-N 2.99Å; E190-E194 VanDerWaalsContact O-N 3.13Å |
| 191 | H | 59.6 | Low | 58 | Low | 117 Ų | 117 | 123.6 Ų | 123.6 | 54% | 0.542 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.8 | -34.4 | 174.1 | -92 | -58.8 | 0 | 0 | 0 | 113.5 | S187 E194 F195 | S187-H191 PolarHBondContact O-N 2.77Å; H191-E194 IonicContact ND1-OE2 3.92Å; H191-F195 PolarHBondContact O-N 3.15Å |
| 192 | M | 56.9 | Low | 58.2 | Low | 134 Ų | 134 | 126.9 Ų | 126.9 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.4 | -31.3 | 173.7 | -85.8 | -172.4 | 145 | 0 | 0 | 112.8 | R188 I189 E190 F195 L196 | R188-M192 WeakPolarHBondContact O-CB 3.5Å; R188-M192 PolarHBondContact O-N 3.04Å; I189-M192 PolarHBondContact O-N 2.89Å; E190-M192 VanDerWaalsContact C-N 3.31Å; E190-M192 PolarHBondContact O-N 2.86Å; M192-F195 PolarHBondContact O-N 3.44Å; M192-L196 PolarHBondContact O-N 3.42Å |
| 193 | K | 59.1 | Low | 58.5 | Low | 153 Ų | 153 | 131.5 Ų | 131.5 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.1 | -39.2 | 175.6 | -84.9 | -176.6 | 174.8 | -178.9 | 0 | 112.5 | I189 E190 F195 L196 S197 | I189-K193 PolarHBondContact O-N 3.23Å; E190-K193 PolarHBondContact O-N 3.05Å; E190-K193 VanDerWaalsContact O-N 3.1Å; K193-F195 VanDerWaalsContact C-N 3.26Å; K193-F195 PolarHBondContact O-N 3.02Å; K193-L196 PolarHBondContact O-N 3.31Å; K193-S197 PolarHBondContact O-N 3.06Å |
| 194 | E | 65.2 | Low | 58.8 | Low | 138 Ų | 138 | 134.5 Ų | 134.5 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.8 | -29.2 | 173.9 | -79.8 | -176.4 | 154.9 | 0 | 0 | 112.8 | E190 H191 L196 | E190-E194 PolarHBondContact O-N 2.99Å; E190-E194 VanDerWaalsContact O-N 3.13Å; H191-E194 IonicContact ND1-OE2 3.92Å; E194-L196 VanDerWaalsContact C-N 3.34Å |
| 195 | F | 61.4 | Low | 58.9 | Low | 187 Ų | 187 | 135.2 Ų | 135.2 | 82% | 0.82 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79 | -15 | 175.7 | -100.8 | -83 | 0 | 0 | 0 | 114.2 | H191 M192 K193 | H191-F195 PolarHBondContact O-N 3.15Å; M192-F195 PolarHBondContact O-N 3.44Å; K193-F195 VanDerWaalsContact C-N 3.26Å; K193-F195 PolarHBondContact O-N 3.02Å |
| 196 | L | 59 | Low | 59.4 | Low | 155 Ų | 155 | 130.8 Ų | 130.8 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -108 | -0.2 | -175.9 | -84.3 | 159.4 | 0 | 0 | 0 | 113.7 | M192 K193 E194 | M192-L196 PolarHBondContact O-N 3.42Å; K193-L196 PolarHBondContact O-N 3.31Å; E194-L196 VanDerWaalsContact C-N 3.34Å |
| 197 | S | 59.1 | Low | 59.7 | Low | 153 Ų | 153 | 136.6 Ų | 136.6 | 100% | 1.07 | 67% | 0.673 | S | S | * | * | trans | -104.3 | 0 | 171.6 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | K193 | K193-S197 PolarHBondContact O-N 3.06Š|
Retrieved 197 of 197 residues in 49.6 ms
(Link to these results)